 vasp.4.6.27 26Jun05 complex 
 executed on             LinuxIFC date 2012.08.21  00:56:03
 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_a_per                            
  positions in direct lattice
  velocities in cartesian coordinates
 


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 ion  position               nearest neighbor table
   1  0.433  0.567  0.617-   3 1.55   2 1.55  41 2.33  17 2.33
   2  0.499  0.633  0.683-   1 1.55
   3  0.367  0.501  0.683-   1 1.55
   4  0.000  1.000  0.498-  33 1.42  53 1.43  29 1.43
   5  1.000  0.200  0.499-  29 1.42  49 1.43  30 1.43
   6  1.000  0.400  0.499-  30 1.42  31 1.43  50 1.43
   7  1.000  0.600  0.499-  31 1.42  51 1.43  32 1.43
   8  0.000  0.800  0.499-  32 1.42  33 1.43  52 1.43
   9  0.200  1.000  0.499-  38 1.42  33 1.43  34 1.43
  10  0.200  0.200  0.499-  34 1.42  35 1.42  29 1.43
  11  0.200  0.400  0.501-  36 1.42  30 1.42  35 1.43
  12  0.200  0.600  0.501-  36 1.42  31 1.43  37 1.43
  13  0.200  0.800  0.500-  37 1.42  38 1.43  32 1.43
  14  0.400  0.000  0.499-  43 1.42  39 1.43  38 1.43
  15  0.400  0.200  0.499-  39 1.42  40 1.43  34 1.43
  16  0.399  0.399  0.503-  40 1.42  35 1.42  41 1.44
  17  0.400  0.600  0.506-  41 1.44  42 1.44  36 1.44   1 2.33
  18  0.400  0.800  0.501-  42 1.42  43 1.43  37 1.43
  19  0.600  0.000  0.499-  48 1.42  43 1.43  44 1.43
  20  0.600  0.200  0.499-  44 1.42  39 1.43  45 1.43
  21  0.600  0.400  0.501-  45 1.42  46 1.43  40 1.43
  22  0.601  0.601  0.503-  46 1.42  47 1.42  41 1.44
  23  0.600  0.800  0.501-  42 1.42  48 1.42  47 1.43
  24  0.800  0.000  0.499-  53 1.42  49 1.43  48 1.43
  25  0.800  0.200  0.499-  49 1.42  44 1.43  50 1.43
  26  0.800  0.400  0.499-  50 1.42  51 1.43  45 1.43
  27  0.800  0.600  0.499-  51 1.42  46 1.43  52 1.43
  28  0.800  0.800  0.499-  52 1.42  47 1.42  53 1.43
  29  0.067  0.133  0.499-   5 1.42   4 1.43  10 1.43
  30  0.066  0.333  0.499-   6 1.42  11 1.42   5 1.43
  31  0.066  0.533  0.499-   7 1.42  12 1.43   6 1.43
  32  0.067  0.733  0.499-   8 1.42   7 1.43  13 1.43
  33  0.067  0.933  0.499-   4 1.42   8 1.43   9 1.43
  34  0.267  0.133  0.499-  10 1.42  15 1.43   9 1.43
  35  0.266  0.333  0.501-  16 1.42  10 1.42  11 1.43
  36  0.265  0.533  0.503-  12 1.42  11 1.42  17 1.44
  37  0.267  0.733  0.501-  13 1.42  12 1.43  18 1.43
  38  0.267  0.933  0.499-   9 1.42  14 1.43  13 1.43
  39  0.467  0.133  0.499-  15 1.42  14 1.43  20 1.43
  40  0.467  0.333  0.501-  16 1.42  15 1.43  21 1.43
  41  0.467  0.533  0.506-  17 1.44  16 1.44  22 1.44   1 2.33
  42  0.467  0.735  0.503-  18 1.42  23 1.42  17 1.44
  43  0.467  0.934  0.499-  14 1.42  18 1.43  19 1.43
  44  0.667  0.134  0.499-  20 1.42  25 1.43  19 1.43
  45  0.667  0.333  0.500-  21 1.42  26 1.43  20 1.43
  46  0.667  0.533  0.501-  22 1.42  27 1.43  21 1.43
  47  0.667  0.734  0.501-  22 1.42  28 1.42  23 1.43
  48  0.667  0.934  0.499-  19 1.42  23 1.42  24 1.43
  49  0.867  0.133  0.498-  25 1.42   5 1.43  24 1.43
  50  0.866  0.333  0.499-  26 1.42  25 1.43   6 1.43
  51  0.867  0.533  0.499-  27 1.42   7 1.43  26 1.43
  52  0.867  0.733  0.499-  28 1.42  27 1.43   8 1.43
  53  0.867  0.933  0.499-  24 1.42   4 1.43  28 1.43
 
  LATTYP: Found a base centered orthorhombic cell.
 ALAT       =    12.3600844375
 B/A-ratio  =     1.7288099540
 C/A-ratio  =     1.6162308634
  
  Lattice vectors:
  
 A1 = (  12.3427391972,   0.0100181680,   0.0000000000)
 A2 = (  -6.1627002532,  10.6941308384,   0.0000000000)
 A3 = (   0.0000000000,   0.0000000000,  19.9767499417)
 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
  0.016196  0.009333  0.000000      4.000000
  0.032393  0.018667  0.000000      4.000000
  0.016181  0.028027  0.000000      2.000000
  0.032377  0.037360  0.000000      4.000000
 -0.032408  0.000026  0.000000      4.000000
 -0.016211  0.009360  0.000000      2.000000
  0.032362  0.056053  0.000000      2.000000
 -0.032423  0.018719  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  12.12, 12.12, 12.48 a.u.
 NGXF,Y,Z  is equivalent  to a cutoff of  18.86, 18.86, 18.64 a.u.


 I would recommend the setting:
   dimension x,y,z NGX =    90 NGY =   90 NGZ =  146
 SYSTEM =  g55pt                                   
 POSCAR =  g55ptB_a_per                            

 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.  22.50 22.50 36.42*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=  -0.348E-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
    12.342739197  0.010018168  0.000000000     0.080981415  0.046667110  0.000000000
    -6.162700253 10.694130838  0.000000000    -0.000075863  0.093465518  0.000000000
     0.000000000  0.000000000 19.976749942     0.000000000  0.000000000  0.050058193

  length of vectors
    12.342743263 12.342743163 19.976749942     0.093465548  0.093465549  0.050058193


 
 old parameters found on file WAVECAR:
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.342483013  0.009991109  0.000000000     0.080983197  0.046668372  0.000000000
    -6.162595595 10.693895447  0.000000000    -0.000075661  0.093467692  0.000000000
     0.000000000  0.000000000 19.977629306     0.000000000  0.000000000  0.050055989

  length of vectors

 
 k-points in units of 2pi/SCALE and weight: K-Points                                
   0.00000000  0.00000000  0.00000000       0.040
   0.01619628  0.00933342  0.00000000       0.160
   0.03239257  0.01866684  0.00000000       0.160
   0.01618111  0.02802653  0.00000000       0.080
   0.03237739  0.03735995  0.00000000       0.160
  -0.03240774  0.00002626  0.00000000       0.160
  -0.01621146  0.00935968  0.00000000       0.080
   0.03236222  0.05605305  0.00000000       0.080
  -0.03242291  0.01871936  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  0.61729980
   0.49926082  0.63259416  0.68337561
   0.36740586  0.50073922  0.68337561
   0.00006568  0.99993432  0.49847726
   0.99991572  0.19984869  0.49856909
   0.99986390  0.39992640  0.49913989
   0.99997939  0.59997415  0.49908497
   0.00016683  0.79997224  0.49888121
   0.20002777  0.99983317  0.49888121
   0.19987248  0.19968948  0.49913039
   0.19950849  0.39966169  0.50051621
   0.19961723  0.59987562  0.50082047
   0.20010582  0.79989419  0.49950085
   0.40002588  0.00002061  0.49908497
   0.39991664  0.19968021  0.49947087
   0.39937402  0.39852788  0.50270057
   0.39963467  0.60036536  0.50635449
   0.40012441  0.80038279  0.50082047
   0.60007363  0.00013610  0.49913989
   0.59999129  0.19997715  0.49914304
   0.60008518  0.39991485  0.50054822
   0.60147215  0.60062601  0.50270057
   0.60033834  0.80049153  0.50051621
   0.80015132  0.00008428  0.49856909
   0.79999388  0.20000613  0.49870585
   0.80002287  0.40000874  0.49914304
   0.80031980  0.60008339  0.49947087
   0.80031053  0.80012753  0.49913039
   0.06651536  0.13324906  0.49856909
   0.06635615  0.33320582  0.49913039
   0.06634688  0.53324999  0.49947087
   0.06664382  0.73332462  0.49914304
   0.06667280  0.93332721  0.49870585
   0.26659307  0.13319724  0.49913989
   0.26632837  0.33284183  0.50051621
   0.26519456  0.53270738  0.50270057
   0.26658153  0.73341850  0.50054822
   0.26667541  0.93335619  0.49914304
   0.46664079  0.13331273  0.49908497
   0.46654226  0.33295057  0.50082047
   0.46703200  0.53296803  0.50635449
   0.46729265  0.73480547  0.50270057
   0.46675004  0.93365313  0.49947087
   0.66663892  0.13350017  0.49888121
   0.66656087  0.33343916  0.49950085
   0.66704946  0.53345777  0.50082047
   0.66715820  0.73367166  0.50051621
   0.66679421  0.93364386  0.49913039
   0.86660100  0.13339902  0.49847726
   0.86649984  0.33336111  0.49888121
   0.86668728  0.53335924  0.49908497
   0.86680278  0.73340696  0.49913989
   0.86675096  0.93348465  0.49856909
 
 position of ions in cartesian coordinates  (Angst):
   1.85632340  6.06434896 12.33164382
   2.26375788  6.77004640 13.65162361
   1.44888892  5.35865151 13.65162361
  -6.16148482 10.69342911  9.95795563
  11.11009134  2.14722541  9.95978999
   9.87643282  4.28688202  9.97119285
   8.64502401  6.42622001  9.97009562
  -4.92792999  8.55500952  9.96602525
  -3.69278151 10.69435063  9.96602525
   1.23634748  2.13750783  9.97100292
  -0.00051399  4.27603316  9.99868713
  -1.23303025  6.41714812 10.00476524
  -2.45965421  8.55617787  9.97840363
   4.93728813  0.00422790  9.97009562
   3.70549743  2.13941276  9.97780463
   2.47336152  4.26591032 10.04232366
   1.23271484  6.42438927 10.11531697
   0.00611207  8.56340678 10.00476524
   7.40571360  0.00746713  9.97119285
   6.17313679  2.14459262  9.97125579
   4.94213946  4.28275352  9.99932657
   3.72233580  6.42919876 10.04232366
   2.47663017  8.56657541  9.99868713
   9.87553967  0.00891736  9.95978999
   8.64153802  2.14690621  9.96252205
   7.40933962  4.28576056  9.97125579
   6.18000450  6.42538808  9.97780463
   4.94707800  8.56468617  9.97100292
  -0.00019225  1.42564924  9.95978999
  -1.23443093  3.56401142  9.97100292
  -2.46735761  5.70330984  9.97780463
  -3.69669255  7.84293704  9.97125579
  -4.92889086  9.98179122  9.96252205
   2.46963411  1.42709946  9.97119285
   1.23601719  3.56212218  9.99868713
  -0.00968863  5.69949916 10.04232366
  -1.22949210  7.84594407  9.99932657
  -2.46048934  9.98410482  9.97125579
   4.93805921  1.43033869  9.97009562
   3.70653491  3.56529081 10.00476524
   2.47993196  5.70430865 10.11531697
   1.23928547  7.86278728 10.04232366
   0.00714965  9.98928468  9.97780463
   7.40542877  1.43434680  9.96602525
   6.17230138  3.57251972  9.97840363
   4.94567724  5.71154980 10.00476524
   3.71316116  7.85266443  9.99868713
   2.47629978  9.99118960  9.97100292
   9.87413190  1.43526832  9.95795563
   8.64057698  3.57368808  9.96602525
   7.41036199  5.71249607  9.97009562
   6.17895337  7.85183374  9.97119285
   4.94529493  9.99149019  9.95978999
 


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


 k-point  1 :  0.00000.00000.0000  plane waves:  66989
 k-point  2 :  0.20000.00000.0000  plane waves:  67047
 k-point  3 :  0.40000.00000.0000  plane waves:  66973
 k-point  4 :  0.20000.20000.0000  plane waves:  66963
 k-point  5 :  0.40000.20000.0000  plane waves:  66943
 k-point  6 :  -.40000.20000.0000  plane waves:  66961
 k-point  7 :  -.20000.20000.0000  plane waves:  67005
 k-point  8 :  0.40000.40000.0000  plane waves:  66948
 k-point  9 :  -.40000.40000.0000  plane waves:  66969

 maximum number of plane-waves:  67047
 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 3086.33 MBYTES are necessary
 For predicting wavefunctions  776.30 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         5223
 Maximum index for augmentation-charges        12225 (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    0.02: CPU time    0.02


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


    POTLOK:  VPU time    9.22: CPU time    9.29
    SETDIJ:  VPU time    0.35: CPU time    0.34
    EDDAV :  VPU time 1868.73: CPU time  965.21
 BZINTS: Fermi energy: -3.114704;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  116.22: CPU time   58.56
    MIXING:  VPU time    0.17: CPU time    0.17
    ------------------------------------------
      LOOP:  VPU time 1994.75: CPU time 1033.61

 eigenvalue-minimisations  :  6272
 total energy-change (2. order) :-0.4704173E+03  (-0.3768577E+02)
 number of electron  212.0000029 magnetization    0.0000000
 augmentation part     7.9313344 magnetization    0.0000013

 Broyden mixing:
  rms(total) = 0.47121E-01    rms(broyden)= 0.47098E-01
  rms(prec ) = 0.51491E-01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34047.41453822
  -1/2 Hartree   DENC   =    -40947.54429696
  -V(xc)+E(xc)   XCENC  =       726.59197282
  PAW double counting   =      4075.64174641    -4114.41510257
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2463.54598087
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -470.41726936 eV

  energy without entropy =     -470.41726936  energy(sigma->0) =     -470.41726936


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




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


    POTLOK:  VPU time    9.16: CPU time    9.16
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 2067.47: CPU time 1064.13
 BZINTS: Fermi energy: -3.134439;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  115.52: CPU time   58.25
    MIXING:  VPU time    0.18: CPU time    0.17
    ------------------------------------------
      LOOP:  VPU time 2192.75: CPU time 1132.09

 eigenvalue-minimisations  :  7064
 total energy-change (2. order) :-0.1183881E+01  (-0.1188196E+01)
 number of electron  212.0000029 magnetization    0.0000000
 augmentation part     7.9485406 magnetization    0.0000003

 Broyden mixing:
  rms(total) = 0.27156E-01    rms(broyden)= 0.27129E-01
  rms(prec ) = 0.28723E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.7150
  0.7150

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34047.41453822
  -1/2 Hartree   DENC   =    -40944.60321436
  -V(xc)+E(xc)   XCENC  =       726.45594231
  PAW double counting   =      4078.04687412    -4116.58214589
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2467.77299798
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.60114999 eV

  energy without entropy =     -471.60114999  energy(sigma->0) =     -471.60114999


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




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


    POTLOK:  VPU time    9.06: CPU time    9.06
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 2375.38: CPU time 1226.93
 BZINTS: Fermi energy: -3.138532;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  117.36: CPU time   59.09
    MIXING:  VPU time    0.19: CPU time    0.19
    ------------------------------------------
      LOOP:  VPU time 2502.39: CPU time 1295.65

 eigenvalue-minimisations  :  8528
 total energy-change (2. order) :-0.3986164E-01  (-0.4099348E-01)
 number of electron  212.0000029 magnetization    0.0000000
 augmentation part     7.9613519 magnetization   -0.0000002

 Broyden mixing:
  rms(total) = 0.17957E-01    rms(broyden)= 0.17953E-01
  rms(prec ) = 0.19007E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1670
  1.1670  1.1670

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34047.41453822
  -1/2 Hartree   DENC   =    -40945.34412186
  -V(xc)+E(xc)   XCENC  =       726.50386514
  PAW double counting   =      4082.53235773    -4121.02627858
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2467.16122588
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64101163 eV

  energy without entropy =     -471.64101163  energy(sigma->0) =     -471.64101163


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




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


    POTLOK:  VPU time    9.19: CPU time    9.19
    SETDIJ:  VPU time    0.35: CPU time    0.34
    EDDAV :  VPU time 2012.63: CPU time 1036.05
 BZINTS: Fermi energy: -3.135474;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  115.52: CPU time   58.19
    MIXING:  VPU time    0.20: CPU time    0.20
    ------------------------------------------
      LOOP:  VPU time 2137.95: CPU time 1104.01

 eigenvalue-minimisations  :  6792
 total energy-change (2. order) : 0.3040721E-05  (-0.7320957E-03)
 number of electron  212.0000029 magnetization    0.0000000
 augmentation part     7.9598872 magnetization   -0.0000001

 Broyden mixing:
  rms(total) = 0.72304E-02    rms(broyden)= 0.72302E-02
  rms(prec ) = 0.75787E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3879
  2.3606  0.9015  0.9015

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34047.41453822
  -1/2 Hartree   DENC   =    -40946.86635246
  -V(xc)+E(xc)   XCENC  =       726.57799768
  PAW double counting   =      4088.81578736    -4127.26744974
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.75538325
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64100859 eV

  energy without entropy =     -471.64100859  energy(sigma->0) =     -471.64100859


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




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


    POTLOK:  VPU time    9.09: CPU time    9.09
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 2032.78: CPU time 1045.67
 BZINTS: Fermi energy: -3.146647;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 2042.27: CPU time 1055.13

 eigenvalue-minimisations  :  6968
 total energy-change (2. order) : 0.1379142E-04  (-0.8221582E-04)
 number of electron  212.0000029 magnetization    0.0000000
 augmentation part     7.9598872 magnetization   -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34047.41453822
  -1/2 Hartree   DENC   =    -40947.77608934
  -V(xc)+E(xc)   XCENC  =       726.62355960
  PAW double counting   =      4093.20289633    -4131.60942336
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2464.93632985
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64099479 eV

  energy without entropy =     -471.64099479  energy(sigma->0) =     -471.64099479


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




 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 -58.5484       2 -39.9846       3 -39.9846       4 -58.2433       5 -58.2470
       6 -58.2524       7 -58.2437       8 -58.2427       9 -58.2427      10 -58.2575
      11 -58.3111      12 -58.2886      13 -58.2478      14 -58.2437      15 -58.2544
      16 -58.4332      17 -58.7271      18 -58.2886      19 -58.2524      20 -58.2478
      21 -58.2737      22 -58.4332      23 -58.3111      24 -58.2470      25 -58.2419
      26 -58.2478      27 -58.2544      28 -58.2576      29 -58.2469      30 -58.2574
      31 -58.2543      32 -58.2477      33 -58.2418      34 -58.2523      35 -58.3110
      36 -58.4331      37 -58.2736      38 -58.2477      39 -58.2435      40 -58.2885
      41 -58.7269      42 -58.4331      43 -58.2543      44 -58.2426      45 -58.2477
      46 -58.2885      47 -58.3110      48 -58.2574      49 -58.2432      50 -58.2426
      51 -58.2436      52 -58.2523      53 -58.2470
 
 
 
 E-fermi :  -3.1466     XC(G=0):  -2.3633     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     -22.3545      1.00000
      2     -21.5346      1.00000
      3     -21.4048      1.00000
      4     -21.4042      1.00000
      5     -21.3738      1.00000
      6     -21.3634      1.00000
      7     -21.3565      1.00000
      8     -19.6453      1.00000
      9     -19.5678      1.00000
     10     -19.5665      1.00000
     11     -19.5545      1.00000
     12     -19.5373      1.00000
     13     -19.5370      1.00000
     14     -18.7282      1.00000
     15     -18.6733      1.00000
     16     -18.6719      1.00000
     17     -18.6597      1.00000
     18     -18.6435      1.00000
     19     -18.6351      1.00000
     20     -16.5955      1.00000
     21     -16.5248      1.00000
     22     -16.5210      1.00000
     23     -16.5149      1.00000
     24     -16.4812      1.00000
     25     -16.4707      1.00000
     26     -15.5758      1.00000
     27     -15.5153      1.00000
     28     -15.5144      1.00000
     29     -15.5109      1.00000
     30     -15.4875      1.00000
     31     -15.4772      1.00000
     32     -14.2045      1.00000
     33     -14.1784      1.00000
     34     -14.1651      1.00000
     35     -14.1626      1.00000
     36     -14.1582      1.00000
     37     -14.1465      1.00000
     38     -11.8900      1.00000
     39     -11.8136      1.00000
     40     -11.7990      1.00000
     41     -11.7957      1.00000
     42     -11.7709      1.00000
     43     -11.7634      1.00000
     44     -11.7045      1.00000
     45     -11.6964      1.00000
     46     -11.6687      1.00000
     47     -11.6582      1.00000
     48     -11.6553      1.00000
     49     -11.6476      1.00000
     50     -10.6761      1.00000
     51     -10.3384      1.00000
     52     -10.3216      1.00000
     53     -10.3089      1.00000
     54     -10.2944      1.00000
     55     -10.2798      1.00000
     56     -10.2703      1.00000
     57      -9.9300      1.00000
     58      -9.3701      1.00000
     59      -9.3593      1.00000
     60      -9.3000      1.00000
     61      -9.2891      1.00000
     62      -9.2836      1.00000
     63      -9.0899      1.00000
     64      -9.0575      1.00000
     65      -9.0446      1.00000
     66      -9.0234      1.00000
     67      -9.0056      1.00000
     68      -8.9989      1.00000
     69      -8.9962      1.00000
     70      -8.9960      1.00000
     71      -8.9892      1.00000
     72      -8.9696      1.00000
     73      -8.9603      1.00000
     74      -8.9536      1.00000
     75      -8.5009      1.00000
     76      -7.5157      1.00000
     77      -7.4102      1.00000
     78      -7.4074      1.00000
     79      -7.3958      1.00000
     80      -7.3814      1.00000
     81      -7.3651      1.00000
     82      -7.3375      1.00000
     83      -7.3045      1.00000
     84      -7.2710      1.00000
     85      -7.2010      1.00000
     86      -7.1787      1.00000
     87      -7.1785      1.00000
     88      -7.0771      1.00000
     89      -6.4992      1.00000
     90      -6.4659      1.00000
     91      -6.3601      1.00000
     92      -6.2985      1.00000
     93      -6.2884      1.00000
     94      -6.2734      1.00000
     95      -5.9139      1.00000
     96      -5.8636      1.00000
     97      -5.0449      1.00000
     98      -4.9455      1.00000
     99      -4.5408      1.00000
    100      -4.3512      1.00000
    101      -4.3221      1.00000
    102      -4.3033      1.00000
    103      -4.1217      1.00000
    104      -3.9170      1.00000
    105      -3.8907      1.00000
    106      -3.8402      1.00000
    107      -1.6841      0.00000
    108      -1.6721      0.00000
    109      -1.5539      0.00000
    110      -1.5234      0.00000
    111      -1.5109      0.00000
    112      -1.4993      0.00000
    113      -0.5867      0.00000
    114       0.1298      0.00000
    115       0.2103      0.00000
    116       0.3182      0.00000
    117       0.3328      0.00000
    118       0.3388      0.00000
    119       0.5015      0.00000
    120       0.5952      0.00000
    121       1.2620      0.00000
    122       1.2649      0.00000
    123       1.5319      0.00000
    124       1.7432      0.00000
    125       1.7999      0.00000
    126       1.8081      0.00000
    127       1.8082      0.00000
    128       1.9489      0.00000
    129       1.9743      0.00000
    130       2.0360      0.00000
    131       2.0517      0.00000
    132       2.0523      0.00000
    133       2.0564      0.00000
    134       2.0594      0.00000
    135       2.3203      0.00000
    136       2.3216      0.00000
    137       2.6049      0.00000
    138       2.6268      0.00000
    139       2.6394      0.00000
    140       2.7066      0.00000
    141       2.8442      0.00000
    142       2.9848      0.00000
    143       3.0104      0.00000
    144       3.0161      0.00000
    145       3.0250      0.00000
    146       3.0333      0.00000
    147       3.0548      0.00000
    148       3.2335      0.00000
    149       3.4191      0.00000
    150       3.5549      0.00000
    151       3.7838      0.00000
    152       3.9306      0.00000
    153       3.9310      0.00000
    154       3.9438      0.00000
    155       3.9606      0.00000
    156       4.0009      0.00000
    157       4.1467      0.00000
    158       4.2508      0.00000
    159       4.2815      0.00000
    160       4.2818      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3179      1.00000
      2     -21.7597      1.00000
      3     -21.5683      1.00000
      4     -21.5354      1.00000
      5     -21.2057      1.00000
      6     -21.1608      1.00000
      7     -20.9862      1.00000
      8     -20.1007      1.00000
      9     -20.0560      1.00000
     10     -19.5424      1.00000
     11     -19.5174      1.00000
     12     -19.3497      1.00000
     13     -19.0247      1.00000
     14     -18.9854      1.00000
     15     -18.9800      1.00000
     16     -18.9665      1.00000
     17     -18.2970      1.00000
     18     -18.2717      1.00000
     19     -17.9549      1.00000
     20     -17.0145      1.00000
     21     -16.9619      1.00000
     22     -16.8881      1.00000
     23     -16.8507      1.00000
     24     -16.4050      1.00000
     25     -16.3730      1.00000
     26     -15.5628      1.00000
     27     -15.5234      1.00000
     28     -15.2076      1.00000
     29     -15.1690      1.00000
     30     -15.1109      1.00000
     31     -15.0245      1.00000
     32     -14.9926      1.00000
     33     -14.6346      1.00000
     34     -14.6213      1.00000
     35     -13.6663      1.00000
     36     -13.6510      1.00000
     37     -13.1677      1.00000
     38     -12.5558      1.00000
     39     -12.5009      1.00000
     40     -12.3879      1.00000
     41     -12.3748      1.00000
     42     -12.0628      1.00000
     43     -12.0392      1.00000
     44     -11.6565      1.00000
     45     -11.6135      1.00000
     46     -11.1860      1.00000
     47     -11.1372      1.00000
     48     -10.9647      1.00000
     49     -10.9408      1.00000
     50     -10.8830      1.00000
     51     -10.8277      1.00000
     52     -10.6037      1.00000
     53     -10.0859      1.00000
     54     -10.0833      1.00000
     55     -10.0427      1.00000
     56      -9.9687      1.00000
     57      -9.6633      1.00000
     58      -9.6205      1.00000
     59      -9.5962      1.00000
     60      -9.5246      1.00000
     61      -9.5115      1.00000
     62      -9.4743      1.00000
     63      -9.2640      1.00000
     64      -9.2422      1.00000
     65      -9.2185      1.00000
     66      -9.1611      1.00000
     67      -9.0671      1.00000
     68      -9.0486      1.00000
     69      -9.0351      1.00000
     70      -8.8826      1.00000
     71      -8.8020      1.00000
     72      -8.5804      1.00000
     73      -8.5239      1.00000
     74      -8.4625      1.00000
     75      -8.0300      1.00000
     76      -7.8131      1.00000
     77      -7.8051      1.00000
     78      -7.7904      1.00000
     79      -7.7019      1.00000
     80      -7.6880      1.00000
     81      -7.3631      1.00000
     82      -7.2668      1.00000
     83      -7.2598      1.00000
     84      -7.2105      1.00000
     85      -7.1687      1.00000
     86      -7.0117      1.00000
     87      -6.9488      1.00000
     88      -6.7420      1.00000
     89      -6.6700      1.00000
     90      -6.5944      1.00000
     91      -6.5598      1.00000
     92      -6.0486      1.00000
     93      -6.0349      1.00000
     94      -6.0228      1.00000
     95      -5.9607      1.00000
     96      -5.7433      1.00000
     97      -5.1524      1.00000
     98      -4.9956      1.00000
     99      -4.7278      1.00000
    100      -4.6110      1.00000
    101      -4.4344      1.00000
    102      -4.3768      1.00000
    103      -4.1246      1.00000
    104      -3.8719      1.00000
    105      -3.8396      1.00000
    106      -3.7789      1.00000
    107      -1.7990      0.00000
    108      -1.7357      0.00000
    109      -1.3865      0.00000
    110      -1.3607      0.00000
    111      -1.2529      0.00000
    112      -1.2159      0.00000
    113      -0.7407      0.00000
    114      -0.3736      0.00000
    115      -0.2288      0.00000
    116      -0.0123      0.00000
    117       0.5892      0.00000
    118       0.7344      0.00000
    119       0.7647      0.00000
    120       1.0516      0.00000
    121       1.1473      0.00000
    122       1.2565      0.00000
    123       1.2691      0.00000
    124       1.4125      0.00000
    125       1.4782      0.00000
    126       1.5901      0.00000
    127       1.7281      0.00000
    128       1.8310      0.00000
    129       1.8874      0.00000
    130       1.9586      0.00000
    131       2.0919      0.00000
    132       2.2433      0.00000
    133       2.2460      0.00000
    134       2.2880      0.00000
    135       2.4839      0.00000
    136       2.5772      0.00000
    137       2.6190      0.00000
    138       2.7546      0.00000
    139       2.7703      0.00000
    140       2.8077      0.00000
    141       2.8653      0.00000
    142       2.8893      0.00000
    143       2.9286      0.00000
    144       3.0815      0.00000
    145       3.2600      0.00000
    146       3.2819      0.00000
    147       3.3364      0.00000
    148       3.3602      0.00000
    149       3.4646      0.00000
    150       3.5487      0.00000
    151       3.6075      0.00000
    152       3.6705      0.00000
    153       3.6998      0.00000
    154       3.8890      0.00000
    155       3.9251      0.00000
    156       3.9812      0.00000
    157       4.0659      0.00000
    158       4.1792      0.00000
    159       4.2440      0.00000
    160       4.3074      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2123      1.00000
      2     -22.0062      1.00000
      3     -21.6468      1.00000
      4     -21.6098      1.00000
      5     -20.9112      1.00000
      6     -20.8647      1.00000
      7     -20.5443      1.00000
      8     -20.5061      1.00000
      9     -20.4937      1.00000
     10     -19.9635      1.00000
     11     -19.4390      1.00000
     12     -19.4109      1.00000
     13     -19.2384      1.00000
     14     -19.2227      1.00000
     15     -18.3852      1.00000
     16     -18.3397      1.00000
     17     -17.8617      1.00000
     18     -17.8311      1.00000
     19     -17.6999      1.00000
     20     -17.6560      1.00000
     21     -17.3768      1.00000
     22     -17.3446      1.00000
     23     -17.2811      1.00000
     24     -16.3944      1.00000
     25     -16.3768      1.00000
     26     -15.8887      1.00000
     27     -15.3566      1.00000
     28     -15.3285      1.00000
     29     -15.0354      1.00000
     30     -15.0152      1.00000
     31     -14.8074      1.00000
     32     -14.7818      1.00000
     33     -14.2218      1.00000
     34     -14.1800      1.00000
     35     -13.3734      1.00000
     36     -13.3249      1.00000
     37     -13.1203      1.00000
     38     -13.1025      1.00000
     39     -12.9108      1.00000
     40     -12.8973      1.00000
     41     -12.5593      1.00000
     42     -12.5405      1.00000
     43     -12.1314      1.00000
     44     -11.5210      1.00000
     45     -11.4699      1.00000
     46     -11.2580      1.00000
     47     -11.2129      1.00000
     48     -11.0778      1.00000
     49     -10.6606      1.00000
     50     -10.5775      1.00000
     51     -10.5224      1.00000
     52     -10.2603      1.00000
     53     -10.2462      1.00000
     54     -10.1224      1.00000
     55     -10.0464      1.00000
     56     -10.0333      1.00000
     57      -9.7680      1.00000
     58      -9.7064      1.00000
     59      -9.6740      1.00000
     60      -9.6277      1.00000
     61      -9.6245      1.00000
     62      -9.5852      1.00000
     63      -9.2926      1.00000
     64      -9.2816      1.00000
     65      -9.2477      1.00000
     66      -9.0895      1.00000
     67      -8.8945      1.00000
     68      -8.8899      1.00000
     69      -8.7230      1.00000
     70      -8.5891      1.00000
     71      -8.5109      1.00000
     72      -8.3317      1.00000
     73      -8.3013      1.00000
     74      -8.2671      1.00000
     75      -8.2357      1.00000
     76      -8.1985      1.00000
     77      -8.1910      1.00000
     78      -8.1688      1.00000
     79      -8.1022      1.00000
     80      -7.6905      1.00000
     81      -7.3539      1.00000
     82      -7.3013      1.00000
     83      -7.2548      1.00000
     84      -7.1811      1.00000
     85      -7.1184      1.00000
     86      -7.0748      1.00000
     87      -6.8998      1.00000
     88      -6.8796      1.00000
     89      -6.5524      1.00000
     90      -6.4849      1.00000
     91      -6.2136      1.00000
     92      -6.0706      1.00000
     93      -5.9462      1.00000
     94      -5.7084      1.00000
     95      -5.6373      1.00000
     96      -5.4562      1.00000
     97      -5.3000      1.00000
     98      -5.2447      1.00000
     99      -5.1633      1.00000
    100      -5.1413      1.00000
    101      -4.5206      1.00000
    102      -4.4740      1.00000
    103      -4.1449      1.00000
    104      -3.8425      1.00000
    105      -3.7541      1.00000
    106      -3.6721      1.00000
    107      -1.8789      0.00000
    108      -1.8287      0.00000
    109      -1.2711      0.00000
    110      -1.0502      0.00000
    111      -0.9999      0.00000
    112      -0.7056      0.00000
    113      -0.6488      0.00000
    114      -0.5830      0.00000
    115      -0.5355      0.00000
    116      -0.1995      0.00000
    117       0.2524      0.00000
    118       0.2910      0.00000
    119       0.7604      0.00000
    120       0.9454      0.00000
    121       1.1304      0.00000
    122       1.2259      0.00000
    123       1.3204      0.00000
    124       1.4102      0.00000
    125       1.5990      0.00000
    126       1.6314      0.00000
    127       1.6940      0.00000
    128       1.8113      0.00000
    129       1.9245      0.00000
    130       2.0085      0.00000
    131       2.0543      0.00000
    132       2.2801      0.00000
    133       2.3978      0.00000
    134       2.4296      0.00000
    135       2.5389      0.00000
    136       2.6323      0.00000
    137       2.7003      0.00000
    138       2.7655      0.00000
    139       2.8339      0.00000
    140       2.8785      0.00000
    141       3.0379      0.00000
    142       3.0848      0.00000
    143       3.1863      0.00000
    144       3.2288      0.00000
    145       3.3662      0.00000
    146       3.4188      0.00000
    147       3.4840      0.00000
    148       3.5743      0.00000
    149       3.5965      0.00000
    150       3.6325      0.00000
    151       3.6840      0.00000
    152       3.7237      0.00000
    153       3.7494      0.00000
    154       3.7789      0.00000
    155       3.8746      0.00000
    156       3.9694      0.00000
    157       3.9784      0.00000
    158       4.1619      0.00000
    159       4.2060      0.00000
    160       4.2420      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2461      1.00000
      2     -21.8917      1.00000
      3     -21.8211      1.00000
      4     -21.3087      1.00000
      5     -21.2782      1.00000
      6     -20.7702      1.00000
      7     -20.7043      1.00000
      8     -20.5569      1.00000
      9     -20.0042      1.00000
     10     -19.9965      1.00000
     11     -19.6474      1.00000
     12     -19.6228      1.00000
     13     -18.9265      1.00000
     14     -18.9178      1.00000
     15     -18.5618      1.00000
     16     -18.5489      1.00000
     17     -18.3983      1.00000
     18     -17.6211      1.00000
     19     -17.5639      1.00000
     20     -17.5592      1.00000
     21     -17.5185      1.00000
     22     -17.0504      1.00000
     23     -17.0344      1.00000
     24     -16.8676      1.00000
     25     -15.9056      1.00000
     26     -15.8824      1.00000
     27     -15.5096      1.00000
     28     -15.5091      1.00000
     29     -15.2500      1.00000
     30     -14.7830      1.00000
     31     -14.7563      1.00000
     32     -14.5194      1.00000
     33     -14.4763      1.00000
     34     -14.1007      1.00000
     35     -14.0903      1.00000
     36     -13.0540      1.00000
     37     -13.0310      1.00000
     38     -12.9701      1.00000
     39     -12.9600      1.00000
     40     -12.6456      1.00000
     41     -12.6387      1.00000
     42     -12.2665      1.00000
     43     -12.2355      1.00000
     44     -11.5911      1.00000
     45     -11.5616      1.00000
     46     -11.5171      1.00000
     47     -10.9035      1.00000
     48     -10.8503      1.00000
     49     -10.6207      1.00000
     50     -10.5526      1.00000
     51     -10.4802      1.00000
     52     -10.4233      1.00000
     53     -10.4148      1.00000
     54     -10.3494      1.00000
     55     -10.2966      1.00000
     56     -10.0645      1.00000
     57      -9.8317      1.00000
     58      -9.5505      1.00000
     59      -9.4907      1.00000
     60      -9.4706      1.00000
     61      -9.3412      1.00000
     62      -9.3262      1.00000
     63      -9.3066      1.00000
     64      -9.3049      1.00000
     65      -9.2107      1.00000
     66      -9.1172      1.00000
     67      -9.0849      1.00000
     68      -9.0642      1.00000
     69      -8.8489      1.00000
     70      -8.7866      1.00000
     71      -8.7693      1.00000
     72      -8.5287      1.00000
     73      -8.4776      1.00000
     74      -8.2247      1.00000
     75      -8.1115      1.00000
     76      -8.1017      1.00000
     77      -7.8007      1.00000
     78      -7.7756      1.00000
     79      -7.7736      1.00000
     80      -7.6685      1.00000
     81      -7.6304      1.00000
     82      -7.6303      1.00000
     83      -7.4016      1.00000
     84      -7.3260      1.00000
     85      -7.2020      1.00000
     86      -6.8330      1.00000
     87      -6.8252      1.00000
     88      -6.6582      1.00000
     89      -6.5367      1.00000
     90      -6.3260      1.00000
     91      -6.2938      1.00000
     92      -6.1807      1.00000
     93      -6.1544      1.00000
     94      -5.9860      1.00000
     95      -5.5818      1.00000
     96      -5.4355      1.00000
     97      -5.2693      1.00000
     98      -5.2423      1.00000
     99      -5.1587      1.00000
    100      -4.6834      1.00000
    101      -4.6676      1.00000
    102      -4.3501      1.00000
    103      -4.3142      1.00000
    104      -3.9682      1.00000
    105      -3.8366      1.00000
    106      -3.3692      1.00000
    107      -2.2398      0.00000
    108      -1.3854      0.00000
    109      -1.2948      0.00000
    110      -1.1741      0.00000
    111      -1.0743      0.00000
    112      -0.8830      0.00000
    113      -0.7532      0.00000
    114      -0.7434      0.00000
    115      -0.2158      0.00000
    116       0.1074      0.00000
    117       0.2562      0.00000
    118       0.3610      0.00000
    119       0.7334      0.00000
    120       0.9019      0.00000
    121       0.9701      0.00000
    122       1.0967      0.00000
    123       1.2047      0.00000
    124       1.5325      0.00000
    125       1.5552      0.00000
    126       1.7153      0.00000
    127       1.8410      0.00000
    128       1.8629      0.00000
    129       1.9257      0.00000
    130       2.0033      0.00000
    131       2.1397      0.00000
    132       2.2644      0.00000
    133       2.4009      0.00000
    134       2.4596      0.00000
    135       2.4629      0.00000
    136       2.6648      0.00000
    137       2.6827      0.00000
    138       2.7305      0.00000
    139       2.7419      0.00000
    140       2.8837      0.00000
    141       3.0155      0.00000
    142       3.0751      0.00000
    143       3.1544      0.00000
    144       3.2024      0.00000
    145       3.2483      0.00000
    146       3.2487      0.00000
    147       3.3507      0.00000
    148       3.4664      0.00000
    149       3.5355      0.00000
    150       3.6964      0.00000
    151       3.7375      0.00000
    152       3.7802      0.00000
    153       3.8079      0.00000
    154       3.8662      0.00000
    155       3.9375      0.00000
    156       3.9693      0.00000
    157       4.0048      0.00000
    158       4.0212      0.00000
    159       4.1169      0.00000
    160       4.2292      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1400      1.00000
      2     -22.0451      1.00000
      3     -21.8844      1.00000
      4     -21.3320      1.00000
      5     -20.9804      1.00000
      6     -20.9415      1.00000
      7     -20.4318      1.00000
      8     -20.3885      1.00000
      9     -20.2263      1.00000
     10     -20.2046      1.00000
     11     -19.8856      1.00000
     12     -19.8180      1.00000
     13     -18.8105      1.00000
     14     -18.7392      1.00000
     15     -18.2916      1.00000
     16     -18.2368      1.00000
     17     -18.0871      1.00000
     18     -18.0600      1.00000
     19     -17.7637      1.00000
     20     -17.7182      1.00000
     21     -17.1959      1.00000
     22     -17.1518      1.00000
     23     -17.1082      1.00000
     24     -17.0575      1.00000
     25     -16.0279      1.00000
     26     -15.8303      1.00000
     27     -15.7915      1.00000
     28     -15.7556      1.00000
     29     -15.1810      1.00000
     30     -14.4893      1.00000
     31     -14.4529      1.00000
     32     -14.2257      1.00000
     33     -13.8988      1.00000
     34     -13.8794      1.00000
     35     -13.7616      1.00000
     36     -13.7168      1.00000
     37     -13.5534      1.00000
     38     -13.5042      1.00000
     39     -13.2962      1.00000
     40     -12.5566      1.00000
     41     -12.1264      1.00000
     42     -12.0668      1.00000
     43     -12.0129      1.00000
     44     -11.9485      1.00000
     45     -11.6100      1.00000
     46     -11.5850      1.00000
     47     -11.0826      1.00000
     48     -11.0458      1.00000
     49     -10.7514      1.00000
     50     -10.6594      1.00000
     51     -10.5273      1.00000
     52     -10.1506      1.00000
     53     -10.1370      1.00000
     54     -10.0949      1.00000
     55      -9.9504      1.00000
     56      -9.9461      1.00000
     57      -9.9127      1.00000
     58      -9.7354      1.00000
     59      -9.7348      1.00000
     60      -9.7041      1.00000
     61      -9.6723      1.00000
     62      -9.4274      1.00000
     63      -9.3588      1.00000
     64      -9.0862      1.00000
     65      -9.0048      1.00000
     66      -8.9687      1.00000
     67      -8.8939      1.00000
     68      -8.8106      1.00000
     69      -8.6605      1.00000
     70      -8.6337      1.00000
     71      -8.5802      1.00000
     72      -8.4778      1.00000
     73      -8.4629      1.00000
     74      -8.4111      1.00000
     75      -8.3861      1.00000
     76      -8.1813      1.00000
     77      -8.1141      1.00000
     78      -7.9782      1.00000
     79      -7.9166      1.00000
     80      -7.8350      1.00000
     81      -7.6142      1.00000
     82      -7.5268      1.00000
     83      -7.4750      1.00000
     84      -7.2590      1.00000
     85      -6.9289      1.00000
     86      -6.8479      1.00000
     87      -6.7992      1.00000
     88      -6.5706      1.00000
     89      -6.4719      1.00000
     90      -6.4212      1.00000
     91      -6.3521      1.00000
     92      -6.0539      1.00000
     93      -5.8792      1.00000
     94      -5.7497      1.00000
     95      -5.7267      1.00000
     96      -5.4753      1.00000
     97      -5.3485      1.00000
     98      -5.1864      1.00000
     99      -5.1668      1.00000
    100      -5.1441      1.00000
    101      -4.7005      1.00000
    102      -4.4449      1.00000
    103      -4.2547      1.00000
    104      -3.9997      1.00000
    105      -3.8354      1.00000
    106      -3.1482      1.00000
    107      -2.4685      0.00000
    108      -1.3737      0.00000
    109      -1.2512      0.00000
    110      -1.1408      0.00000
    111      -1.1187      0.00000
    112      -0.5631      0.00000
    113      -0.4325      0.00000
    114      -0.4167      0.00000
    115      -0.3180      0.00000
    116      -0.1816      0.00000
    117       0.0696      0.00000
    118       0.1224      0.00000
    119       0.5365      0.00000
    120       0.6821      0.00000
    121       0.8725      0.00000
    122       0.9682      0.00000
    123       1.1083      0.00000
    124       1.4998      0.00000
    125       1.6623      0.00000
    126       1.7896      0.00000
    127       1.8778      0.00000
    128       2.0708      0.00000
    129       2.0953      0.00000
    130       2.1568      0.00000
    131       2.2125      0.00000
    132       2.3274      0.00000
    133       2.3392      0.00000
    134       2.4712      0.00000
    135       2.5609      0.00000
    136       2.6733      0.00000
    137       2.8789      0.00000
    138       2.9425      0.00000
    139       2.9662      0.00000
    140       2.9807      0.00000
    141       3.0376      0.00000
    142       3.1334      0.00000
    143       3.1503      0.00000
    144       3.2406      0.00000
    145       3.2901      0.00000
    146       3.3301      0.00000
    147       3.3500      0.00000
    148       3.3768      0.00000
    149       3.3810      0.00000
    150       3.4971      0.00000
    151       3.5459      0.00000
    152       3.5997      0.00000
    153       3.6421      0.00000
    154       3.6814      0.00000
    155       3.7055      0.00000
    156       3.9191      0.00000
    157       3.9329      0.00000
    158       4.0640      0.00000
    159       4.0906      0.00000
    160       4.2049      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2457      1.00000
      2     -21.8931      1.00000
      3     -21.8197      1.00000
      4     -21.3151      1.00000
      5     -21.2760      1.00000
      6     -20.7688      1.00000
      7     -20.6998      1.00000
      8     -20.5513      1.00000
      9     -20.0226      1.00000
     10     -19.9896      1.00000
     11     -19.6485      1.00000
     12     -19.6159      1.00000
     13     -18.9433      1.00000
     14     -18.9061      1.00000
     15     -18.5855      1.00000
     16     -18.5476      1.00000
     17     -18.3869      1.00000
     18     -17.6013      1.00000
     19     -17.5598      1.00000
     20     -17.5360      1.00000
     21     -17.5020      1.00000
     22     -17.0771      1.00000
     23     -17.0242      1.00000
     24     -16.9085      1.00000
     25     -15.9549      1.00000
     26     -15.8406      1.00000
     27     -15.5347      1.00000
     28     -15.5051      1.00000
     29     -15.1947      1.00000
     30     -14.8165      1.00000
     31     -14.7637      1.00000
     32     -14.5102      1.00000
     33     -14.4556      1.00000
     34     -14.0970      1.00000
     35     -14.0868      1.00000
     36     -13.1115      1.00000
     37     -13.0290      1.00000
     38     -12.9574      1.00000
     39     -12.9376      1.00000
     40     -12.6529      1.00000
     41     -12.6239      1.00000
     42     -12.2760      1.00000
     43     -12.2459      1.00000
     44     -11.5761      1.00000
     45     -11.5436      1.00000
     46     -11.4907      1.00000
     47     -10.8727      1.00000
     48     -10.8693      1.00000
     49     -10.6836      1.00000
     50     -10.5247      1.00000
     51     -10.5210      1.00000
     52     -10.4334      1.00000
     53     -10.4189      1.00000
     54     -10.3766      1.00000
     55     -10.2831      1.00000
     56     -10.0601      1.00000
     57      -9.8304      1.00000
     58      -9.5551      1.00000
     59      -9.4806      1.00000
     60      -9.4439      1.00000
     61      -9.3595      1.00000
     62      -9.3339      1.00000
     63      -9.3083      1.00000
     64      -9.2982      1.00000
     65      -9.2055      1.00000
     66      -9.0979      1.00000
     67      -9.0597      1.00000
     68      -9.0371      1.00000
     69      -8.8509      1.00000
     70      -8.7977      1.00000
     71      -8.7765      1.00000
     72      -8.5225      1.00000
     73      -8.4959      1.00000
     74      -8.2252      1.00000
     75      -8.1262      1.00000
     76      -8.0880      1.00000
     77      -7.8131      1.00000
     78      -7.7614      1.00000
     79      -7.7426      1.00000
     80      -7.7024      1.00000
     81      -7.6420      1.00000
     82      -7.6134      1.00000
     83      -7.3892      1.00000
     84      -7.3370      1.00000
     85      -7.2218      1.00000
     86      -6.8511      1.00000
     87      -6.8110      1.00000
     88      -6.6359      1.00000
     89      -6.5331      1.00000
     90      -6.3500      1.00000
     91      -6.2764      1.00000
     92      -6.1991      1.00000
     93      -6.1200      1.00000
     94      -6.0153      1.00000
     95      -5.6275      1.00000
     96      -5.5136      1.00000
     97      -5.2880      1.00000
     98      -5.1481      1.00000
     99      -5.0478      1.00000
    100      -4.7205      1.00000
    101      -4.6921      1.00000
    102      -4.3760      1.00000
    103      -4.1835      1.00000
    104      -4.0128      1.00000
    105      -3.8347      1.00000
    106      -3.4937      1.00000
    107      -2.1511      0.00000
    108      -1.3766      0.00000
    109      -1.2452      0.00000
    110      -1.1681      0.00000
    111      -1.0079      0.00000
    112      -0.9669      0.00000
    113      -0.8035      0.00000
    114      -0.7556      0.00000
    115      -0.3645      0.00000
    116       0.2445      0.00000
    117       0.2843      0.00000
    118       0.3644      0.00000
    119       0.7008      0.00000
    120       0.8669      0.00000
    121       0.9754      0.00000
    122       1.1274      0.00000
    123       1.2314      0.00000
    124       1.4590      0.00000
    125       1.5524      0.00000
    126       1.7804      0.00000
    127       1.8439      0.00000
    128       1.8731      0.00000
    129       1.9767      0.00000
    130       2.0112      0.00000
    131       2.1769      0.00000
    132       2.2185      0.00000
    133       2.3846      0.00000
    134       2.4007      0.00000
    135       2.5151      0.00000
    136       2.6625      0.00000
    137       2.6872      0.00000
    138       2.7240      0.00000
    139       2.7653      0.00000
    140       2.8537      0.00000
    141       2.9654      0.00000
    142       3.0729      0.00000
    143       3.1484      0.00000
    144       3.1932      0.00000
    145       3.2442      0.00000
    146       3.2752      0.00000
    147       3.3222      0.00000
    148       3.4703      0.00000
    149       3.5040      0.00000
    150       3.6808      0.00000
    151       3.7188      0.00000
    152       3.7692      0.00000
    153       3.8527      0.00000
    154       3.8609      0.00000
    155       3.8900      0.00000
    156       3.9561      0.00000
    157       3.9965      0.00000
    158       4.0322      0.00000
    159       4.0452      0.00000
    160       4.1402      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3177      1.00000
      2     -21.7589      1.00000
      3     -21.5667      1.00000
      4     -21.5397      1.00000
      5     -21.2033      1.00000
      6     -21.1646      1.00000
      7     -20.9821      1.00000
      8     -20.0955      1.00000
      9     -20.0567      1.00000
     10     -19.5490      1.00000
     11     -19.5282      1.00000
     12     -19.3382      1.00000
     13     -19.0263      1.00000
     14     -18.9887      1.00000
     15     -18.9762      1.00000
     16     -18.9677      1.00000
     17     -18.2973      1.00000
     18     -18.2833      1.00000
     19     -17.9348      1.00000
     20     -16.9905      1.00000
     21     -16.9474      1.00000
     22     -16.8834      1.00000
     23     -16.8721      1.00000
     24     -16.4274      1.00000
     25     -16.4050      1.00000
     26     -15.5358      1.00000
     27     -15.5325      1.00000
     28     -15.1555      1.00000
     29     -15.1550      1.00000
     30     -15.1325      1.00000
     31     -15.0432      1.00000
     32     -15.0081      1.00000
     33     -14.6319      1.00000
     34     -14.6251      1.00000
     35     -13.6587      1.00000
     36     -13.6489      1.00000
     37     -13.1689      1.00000
     38     -12.5787      1.00000
     39     -12.5186      1.00000
     40     -12.3855      1.00000
     41     -12.3855      1.00000
     42     -12.0189      1.00000
     43     -12.0150      1.00000
     44     -11.6550      1.00000
     45     -11.6144      1.00000
     46     -11.2147      1.00000
     47     -11.1647      1.00000
     48     -10.9510      1.00000
     49     -10.9370      1.00000
     50     -10.8530      1.00000
     51     -10.8203      1.00000
     52     -10.6258      1.00000
     53     -10.1522      1.00000
     54     -10.0949      1.00000
     55     -10.0287      1.00000
     56      -9.9468      1.00000
     57      -9.6240      1.00000
     58      -9.6174      1.00000
     59      -9.5965      1.00000
     60      -9.5411      1.00000
     61      -9.5040      1.00000
     62      -9.4785      1.00000
     63      -9.2704      1.00000
     64      -9.2293      1.00000
     65      -9.2031      1.00000
     66      -9.1835      1.00000
     67      -9.0614      1.00000
     68      -9.0439      1.00000
     69      -9.0406      1.00000
     70      -8.8728      1.00000
     71      -8.8108      1.00000
     72      -8.5328      1.00000
     73      -8.5219      1.00000
     74      -8.4959      1.00000
     75      -8.0362      1.00000
     76      -7.8295      1.00000
     77      -7.7972      1.00000
     78      -7.7697      1.00000
     79      -7.6982      1.00000
     80      -7.6789      1.00000
     81      -7.4161      1.00000
     82      -7.2949      1.00000
     83      -7.2583      1.00000
     84      -7.2096      1.00000
     85      -7.0800      1.00000
     86      -7.0718      1.00000
     87      -6.9277      1.00000
     88      -6.7084      1.00000
     89      -6.6765      1.00000
     90      -6.6333      1.00000
     91      -6.5509      1.00000
     92      -6.0837      1.00000
     93      -6.0389      1.00000
     94      -5.9967      1.00000
     95      -5.9266      1.00000
     96      -5.7860      1.00000
     97      -5.1801      1.00000
     98      -4.8952      1.00000
     99      -4.7982      1.00000
    100      -4.5953      1.00000
    101      -4.5169      1.00000
    102      -4.1494      1.00000
    103      -4.0869      1.00000
    104      -3.9405      1.00000
    105      -3.9249      1.00000
    106      -3.8338      1.00000
    107      -1.7360      0.00000
    108      -1.6799      0.00000
    109      -1.4029      0.00000
    110      -1.3819      0.00000
    111      -1.2594      0.00000
    112      -1.2508      0.00000
    113      -0.6236      0.00000
    114      -0.6098      0.00000
    115      -0.1849      0.00000
    116       0.0468      0.00000
    117       0.5845      0.00000
    118       0.7463      0.00000
    119       0.8569      0.00000
    120       0.9259      0.00000
    121       1.1634      0.00000
    122       1.2101      0.00000
    123       1.2434      0.00000
    124       1.4105      0.00000
    125       1.5986      0.00000
    126       1.6422      0.00000
    127       1.7039      0.00000
    128       1.7718      0.00000
    129       1.9295      0.00000
    130       1.9522      0.00000
    131       2.1391      0.00000
    132       2.1691      0.00000
    133       2.2566      0.00000
    134       2.2891      0.00000
    135       2.5515      0.00000
    136       2.5606      0.00000
    137       2.5868      0.00000
    138       2.7512      0.00000
    139       2.7745      0.00000
    140       2.7909      0.00000
    141       2.8904      0.00000
    142       2.9136      0.00000
    143       3.0133      0.00000
    144       3.0230      0.00000
    145       3.0766      0.00000
    146       3.2726      0.00000
    147       3.3159      0.00000
    148       3.3862      0.00000
    149       3.4752      0.00000
    150       3.5647      0.00000
    151       3.6373      0.00000
    152       3.6552      0.00000
    153       3.6748      0.00000
    154       3.8827      0.00000
    155       3.9535      0.00000
    156       3.9946      0.00000
    157       4.0737      0.00000
    158       4.2273      0.00000
    159       4.2491      0.00000
    160       4.2585      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1388      1.00000
      2     -22.0460      1.00000
      3     -21.8849      1.00000
      4     -21.3351      1.00000
      5     -20.9743      1.00000
      6     -20.9446      1.00000
      7     -20.4263      1.00000
      8     -20.3941      1.00000
      9     -20.2115      1.00000
     10     -20.2092      1.00000
     11     -19.8890      1.00000
     12     -19.8253      1.00000
     13     -18.8211      1.00000
     14     -18.7502      1.00000
     15     -18.2579      1.00000
     16     -18.2446      1.00000
     17     -18.0793      1.00000
     18     -18.0725      1.00000
     19     -17.7387      1.00000
     20     -17.7239      1.00000
     21     -17.2010      1.00000
     22     -17.1768      1.00000
     23     -17.0762      1.00000
     24     -17.0645      1.00000
     25     -16.0682      1.00000
     26     -15.8023      1.00000
     27     -15.7935      1.00000
     28     -15.7929      1.00000
     29     -15.1357      1.00000
     30     -14.4872      1.00000
     31     -14.4657      1.00000
     32     -14.1812      1.00000
     33     -13.9180      1.00000
     34     -13.8886      1.00000
     35     -13.7650      1.00000
     36     -13.7458      1.00000
     37     -13.5271      1.00000
     38     -13.5019      1.00000
     39     -13.3029      1.00000
     40     -12.5860      1.00000
     41     -12.0935      1.00000
     42     -12.0703      1.00000
     43     -11.9920      1.00000
     44     -11.9446      1.00000
     45     -11.6042      1.00000
     46     -11.5965      1.00000
     47     -11.0884      1.00000
     48     -11.0643      1.00000
     49     -10.7324      1.00000
     50     -10.6647      1.00000
     51     -10.5602      1.00000
     52     -10.1329      1.00000
     53     -10.1280      1.00000
     54     -10.0985      1.00000
     55      -9.9661      1.00000
     56      -9.9265      1.00000
     57      -9.9212      1.00000
     58      -9.7513      1.00000
     59      -9.7236      1.00000
     60      -9.7020      1.00000
     61      -9.6990      1.00000
     62      -9.4027      1.00000
     63      -9.3936      1.00000
     64      -9.0695      1.00000
     65      -8.9839      1.00000
     66      -8.9836      1.00000
     67      -8.8888      1.00000
     68      -8.8057      1.00000
     69      -8.6429      1.00000
     70      -8.6253      1.00000
     71      -8.5464      1.00000
     72      -8.5007      1.00000
     73      -8.4810      1.00000
     74      -8.3830      1.00000
     75      -8.3717      1.00000
     76      -8.2081      1.00000
     77      -8.1014      1.00000
     78      -8.0003      1.00000
     79      -7.9023      1.00000
     80      -7.8544      1.00000
     81      -7.6252      1.00000
     82      -7.5355      1.00000
     83      -7.4378      1.00000
     84      -7.2563      1.00000
     85      -6.9547      1.00000
     86      -6.8785      1.00000
     87      -6.8267      1.00000
     88      -6.4842      1.00000
     89      -6.4557      1.00000
     90      -6.3950      1.00000
     91      -6.3660      1.00000
     92      -6.1848      1.00000
     93      -5.8531      1.00000
     94      -5.7333      1.00000
     95      -5.7106      1.00000
     96      -5.5147      1.00000
     97      -5.3314      1.00000
     98      -5.1645      1.00000
     99      -5.1560      1.00000
    100      -5.1369      1.00000
    101      -4.7059      1.00000
    102      -4.3567      1.00000
    103      -4.2802      1.00000
    104      -4.0347      1.00000
    105      -3.8364      1.00000
    106      -3.2500      1.00000
    107      -2.3843      0.00000
    108      -1.3404      0.00000
    109      -1.2598      0.00000
    110      -1.1379      0.00000
    111      -1.0954      0.00000
    112      -0.5828      0.00000
    113      -0.5275      0.00000
    114      -0.4416      0.00000
    115      -0.2726      0.00000
    116      -0.0716      0.00000
    117      -0.0148      0.00000
    118       0.0513      0.00000
    119       0.5933      0.00000
    120       0.7216      0.00000
    121       0.8134      0.00000
    122       0.9417      0.00000
    123       1.1799      0.00000
    124       1.5210      0.00000
    125       1.6139      0.00000
    126       1.8498      0.00000
    127       1.9983      0.00000
    128       2.0363      0.00000
    129       2.0907      0.00000
    130       2.1160      0.00000
    131       2.2222      0.00000
    132       2.2924      0.00000
    133       2.3407      0.00000
    134       2.4258      0.00000
    135       2.6107      0.00000
    136       2.7016      0.00000
    137       2.8203      0.00000
    138       2.9157      0.00000
    139       2.9428      0.00000
    140       3.0109      0.00000
    141       3.0379      0.00000
    142       3.1174      0.00000
    143       3.1580      0.00000
    144       3.2097      0.00000
    145       3.2960      0.00000
    146       3.3069      0.00000
    147       3.3525      0.00000
    148       3.3684      0.00000
    149       3.4143      0.00000
    150       3.4290      0.00000
    151       3.5219      0.00000
    152       3.5924      0.00000
    153       3.6470      0.00000
    154       3.6835      0.00000
    155       3.8582      0.00000
    156       3.8906      0.00000
    157       3.9520      0.00000
    158       3.9674      0.00000
    159       4.1525      0.00000
    160       4.1832      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2116      1.00000
      2     -22.0061      1.00000
      3     -21.6456      1.00000
      4     -21.6144      1.00000
      5     -20.9080      1.00000
      6     -20.8674      1.00000
      7     -20.5366      1.00000
      8     -20.5025      1.00000
      9     -20.4975      1.00000
     10     -19.9571      1.00000
     11     -19.4438      1.00000
     12     -19.4210      1.00000
     13     -19.2424      1.00000
     14     -19.2349      1.00000
     15     -18.3699      1.00000
     16     -18.3348      1.00000
     17     -17.8604      1.00000
     18     -17.8437      1.00000
     19     -17.6831      1.00000
     20     -17.6469      1.00000
     21     -17.3742      1.00000
     22     -17.3595      1.00000
     23     -17.2479      1.00000
     24     -16.4251      1.00000
     25     -16.4017      1.00000
     26     -15.9140      1.00000
     27     -15.3418      1.00000
     28     -15.3370      1.00000
     29     -15.0300      1.00000
     30     -15.0205      1.00000
     31     -14.7542      1.00000
     32     -14.7527      1.00000
     33     -14.2418      1.00000
     34     -14.1907      1.00000
     35     -13.3920      1.00000
     36     -13.3371      1.00000
     37     -13.1048      1.00000
     38     -13.0968      1.00000
     39     -12.9228      1.00000
     40     -12.9171      1.00000
     41     -12.5354      1.00000
     42     -12.5277      1.00000
     43     -12.1315      1.00000
     44     -11.5125      1.00000
     45     -11.4678      1.00000
     46     -11.2410      1.00000
     47     -11.2091      1.00000
     48     -11.0854      1.00000
     49     -10.7112      1.00000
     50     -10.6016      1.00000
     51     -10.5123      1.00000
     52     -10.2455      1.00000
     53     -10.2416      1.00000
     54     -10.1213      1.00000
     55     -10.0575      1.00000
     56     -10.0420      1.00000
     57      -9.7850      1.00000
     58      -9.6878      1.00000
     59      -9.6730      1.00000
     60      -9.6348      1.00000
     61      -9.6260      1.00000
     62      -9.5862      1.00000
     63      -9.2954      1.00000
     64      -9.2836      1.00000
     65      -9.2576      1.00000
     66      -9.0659      1.00000
     67      -8.8840      1.00000
     68      -8.8732      1.00000
     69      -8.7170      1.00000
     70      -8.5808      1.00000
     71      -8.5266      1.00000
     72      -8.3452      1.00000
     73      -8.3015      1.00000
     74      -8.2346      1.00000
     75      -8.2286      1.00000
     76      -8.1787      1.00000
     77      -8.1658      1.00000
     78      -8.1647      1.00000
     79      -8.1060      1.00000
     80      -7.6815      1.00000
     81      -7.4236      1.00000
     82      -7.3592      1.00000
     83      -7.2716      1.00000
     84      -7.1790      1.00000
     85      -7.1169      1.00000
     86      -7.0097      1.00000
     87      -6.9099      1.00000
     88      -6.8527      1.00000
     89      -6.5278      1.00000
     90      -6.5113      1.00000
     91      -6.2075      1.00000
     92      -6.1842      1.00000
     93      -5.8847      1.00000
     94      -5.6783      1.00000
     95      -5.6007      1.00000
     96      -5.5852      1.00000
     97      -5.2406      1.00000
     98      -5.2238      1.00000
     99      -5.1586      1.00000
    100      -5.1344      1.00000
    101      -4.6056      1.00000
    102      -4.2505      1.00000
    103      -4.0520      1.00000
    104      -3.8994      1.00000
    105      -3.8503      1.00000
    106      -3.8119      1.00000
    107      -1.7879      0.00000
    108      -1.7615      0.00000
    109      -1.2232      0.00000
    110      -1.1899      0.00000
    111      -0.9680      0.00000
    112      -0.7295      0.00000
    113      -0.6569      0.00000
    114      -0.5917      0.00000
    115      -0.5594      0.00000
    116      -0.1504      0.00000
    117       0.1694      0.00000
    118       0.2818      0.00000
    119       0.7065      0.00000
    120       0.9475      0.00000
    121       1.1766      0.00000
    122       1.2865      0.00000
    123       1.3387      0.00000
    124       1.5228      0.00000
    125       1.6091      0.00000
    126       1.6362      0.00000
    127       1.7004      0.00000
    128       1.7634      0.00000
    129       1.8557      0.00000
    130       2.0398      0.00000
    131       2.1324      0.00000
    132       2.2885      0.00000
    133       2.3884      0.00000
    134       2.4131      0.00000
    135       2.5643      0.00000
    136       2.6243      0.00000
    137       2.6822      0.00000
    138       2.6902      0.00000
    139       2.7618      0.00000
    140       2.9030      0.00000
    141       3.0524      0.00000
    142       3.0626      0.00000
    143       3.1762      0.00000
    144       3.2760      0.00000
    145       3.3770      0.00000
    146       3.4004      0.00000
    147       3.4569      0.00000
    148       3.5451      0.00000
    149       3.5580      0.00000
    150       3.6212      0.00000
    151       3.6553      0.00000
    152       3.6980      0.00000
    153       3.7323      0.00000
    154       3.7406      0.00000
    155       3.8207      0.00000
    156       3.8827      0.00000
    157       3.8911      0.00000
    158       3.9459      0.00000
    159       4.1797      0.00000
    160       4.2296      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3545      1.00000
      2     -21.5346      1.00000
      3     -21.4048      1.00000
      4     -21.4042      1.00000
      5     -21.3738      1.00000
      6     -21.3634      1.00000
      7     -21.3565      1.00000
      8     -19.6453      1.00000
      9     -19.5678      1.00000
     10     -19.5665      1.00000
     11     -19.5545      1.00000
     12     -19.5373      1.00000
     13     -19.5370      1.00000
     14     -18.7282      1.00000
     15     -18.6733      1.00000
     16     -18.6719      1.00000
     17     -18.6597      1.00000
     18     -18.6435      1.00000
     19     -18.6351      1.00000
     20     -16.5955      1.00000
     21     -16.5248      1.00000
     22     -16.5210      1.00000
     23     -16.5149      1.00000
     24     -16.4812      1.00000
     25     -16.4707      1.00000
     26     -15.5758      1.00000
     27     -15.5153      1.00000
     28     -15.5144      1.00000
     29     -15.5109      1.00000
     30     -15.4875      1.00000
     31     -15.4772      1.00000
     32     -14.2045      1.00000
     33     -14.1784      1.00000
     34     -14.1651      1.00000
     35     -14.1626      1.00000
     36     -14.1582      1.00000
     37     -14.1465      1.00000
     38     -11.8900      1.00000
     39     -11.8136      1.00000
     40     -11.7990      1.00000
     41     -11.7957      1.00000
     42     -11.7709      1.00000
     43     -11.7634      1.00000
     44     -11.7045      1.00000
     45     -11.6964      1.00000
     46     -11.6687      1.00000
     47     -11.6582      1.00000
     48     -11.6553      1.00000
     49     -11.6476      1.00000
     50     -10.6761      1.00000
     51     -10.3384      1.00000
     52     -10.3216      1.00000
     53     -10.3089      1.00000
     54     -10.2944      1.00000
     55     -10.2798      1.00000
     56     -10.2703      1.00000
     57      -9.9300      1.00000
     58      -9.3701      1.00000
     59      -9.3593      1.00000
     60      -9.3000      1.00000
     61      -9.2891      1.00000
     62      -9.2836      1.00000
     63      -9.0899      1.00000
     64      -9.0575      1.00000
     65      -9.0446      1.00000
     66      -9.0234      1.00000
     67      -9.0056      1.00000
     68      -8.9989      1.00000
     69      -8.9962      1.00000
     70      -8.9960      1.00000
     71      -8.9892      1.00000
     72      -8.9696      1.00000
     73      -8.9603      1.00000
     74      -8.9536      1.00000
     75      -8.5009      1.00000
     76      -7.5157      1.00000
     77      -7.4102      1.00000
     78      -7.4074      1.00000
     79      -7.3958      1.00000
     80      -7.3814      1.00000
     81      -7.3651      1.00000
     82      -7.3375      1.00000
     83      -7.3045      1.00000
     84      -7.2710      1.00000
     85      -7.2010      1.00000
     86      -7.1787      1.00000
     87      -7.1785      1.00000
     88      -7.0771      1.00000
     89      -6.4992      1.00000
     90      -6.4659      1.00000
     91      -6.3601      1.00000
     92      -6.2985      1.00000
     93      -6.2884      1.00000
     94      -6.2734      1.00000
     95      -5.9139      1.00000
     96      -5.8636      1.00000
     97      -5.0449      1.00000
     98      -4.9455      1.00000
     99      -4.5408      1.00000
    100      -4.3512      1.00000
    101      -4.3221      1.00000
    102      -4.3033      1.00000
    103      -4.1217      1.00000
    104      -3.9170      1.00000
    105      -3.8907      1.00000
    106      -3.8402      1.00000
    107      -1.6841      0.00000
    108      -1.6721      0.00000
    109      -1.5539      0.00000
    110      -1.5234      0.00000
    111      -1.5109      0.00000
    112      -1.4993      0.00000
    113      -0.5867      0.00000
    114       0.1298      0.00000
    115       0.2103      0.00000
    116       0.3182      0.00000
    117       0.3328      0.00000
    118       0.3388      0.00000
    119       0.5015      0.00000
    120       0.5952      0.00000
    121       1.2620      0.00000
    122       1.2649      0.00000
    123       1.5319      0.00000
    124       1.7432      0.00000
    125       1.7999      0.00000
    126       1.8081      0.00000
    127       1.8082      0.00000
    128       1.9489      0.00000
    129       1.9743      0.00000
    130       2.0360      0.00000
    131       2.0517      0.00000
    132       2.0523      0.00000
    133       2.0564      0.00000
    134       2.0593      0.00000
    135       2.3203      0.00000
    136       2.3216      0.00000
    137       2.6049      0.00000
    138       2.6267      0.00000
    139       2.6393      0.00000
    140       2.7065      0.00000
    141       2.8442      0.00000
    142       2.9847      0.00000
    143       3.0104      0.00000
    144       3.0161      0.00000
    145       3.0250      0.00000
    146       3.0333      0.00000
    147       3.0547      0.00000
    148       3.2335      0.00000
    149       3.4191      0.00000
    150       3.5548      0.00000
    151       3.7837      0.00000
    152       3.9306      0.00000
    153       3.9309      0.00000
    154       3.9437      0.00000
    155       3.9605      0.00000
    156       4.0008      0.00000
    157       4.1466      0.00000
    158       4.2507      0.00000
    159       4.2811      0.00000
    160       4.2816      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3179      1.00000
      2     -21.7597      1.00000
      3     -21.5683      1.00000
      4     -21.5354      1.00000
      5     -21.2057      1.00000
      6     -21.1608      1.00000
      7     -20.9862      1.00000
      8     -20.1007      1.00000
      9     -20.0560      1.00000
     10     -19.5424      1.00000
     11     -19.5174      1.00000
     12     -19.3497      1.00000
     13     -19.0247      1.00000
     14     -18.9854      1.00000
     15     -18.9800      1.00000
     16     -18.9665      1.00000
     17     -18.2970      1.00000
     18     -18.2717      1.00000
     19     -17.9549      1.00000
     20     -17.0145      1.00000
     21     -16.9619      1.00000
     22     -16.8881      1.00000
     23     -16.8507      1.00000
     24     -16.4050      1.00000
     25     -16.3730      1.00000
     26     -15.5628      1.00000
     27     -15.5234      1.00000
     28     -15.2076      1.00000
     29     -15.1690      1.00000
     30     -15.1109      1.00000
     31     -15.0245      1.00000
     32     -14.9926      1.00000
     33     -14.6346      1.00000
     34     -14.6213      1.00000
     35     -13.6663      1.00000
     36     -13.6510      1.00000
     37     -13.1677      1.00000
     38     -12.5558      1.00000
     39     -12.5009      1.00000
     40     -12.3879      1.00000
     41     -12.3748      1.00000
     42     -12.0628      1.00000
     43     -12.0392      1.00000
     44     -11.6565      1.00000
     45     -11.6135      1.00000
     46     -11.1860      1.00000
     47     -11.1372      1.00000
     48     -10.9647      1.00000
     49     -10.9408      1.00000
     50     -10.8830      1.00000
     51     -10.8277      1.00000
     52     -10.6037      1.00000
     53     -10.0859      1.00000
     54     -10.0833      1.00000
     55     -10.0427      1.00000
     56      -9.9687      1.00000
     57      -9.6633      1.00000
     58      -9.6205      1.00000
     59      -9.5962      1.00000
     60      -9.5246      1.00000
     61      -9.5115      1.00000
     62      -9.4743      1.00000
     63      -9.2640      1.00000
     64      -9.2422      1.00000
     65      -9.2185      1.00000
     66      -9.1611      1.00000
     67      -9.0671      1.00000
     68      -9.0486      1.00000
     69      -9.0351      1.00000
     70      -8.8826      1.00000
     71      -8.8020      1.00000
     72      -8.5804      1.00000
     73      -8.5239      1.00000
     74      -8.4625      1.00000
     75      -8.0300      1.00000
     76      -7.8131      1.00000
     77      -7.8051      1.00000
     78      -7.7904      1.00000
     79      -7.7019      1.00000
     80      -7.6880      1.00000
     81      -7.3631      1.00000
     82      -7.2668      1.00000
     83      -7.2598      1.00000
     84      -7.2105      1.00000
     85      -7.1687      1.00000
     86      -7.0117      1.00000
     87      -6.9488      1.00000
     88      -6.7420      1.00000
     89      -6.6700      1.00000
     90      -6.5944      1.00000
     91      -6.5598      1.00000
     92      -6.0486      1.00000
     93      -6.0349      1.00000
     94      -6.0228      1.00000
     95      -5.9607      1.00000
     96      -5.7433      1.00000
     97      -5.1524      1.00000
     98      -4.9956      1.00000
     99      -4.7278      1.00000
    100      -4.6110      1.00000
    101      -4.4344      1.00000
    102      -4.3768      1.00000
    103      -4.1246      1.00000
    104      -3.8719      1.00000
    105      -3.8396      1.00000
    106      -3.7789      1.00000
    107      -1.7990      0.00000
    108      -1.7357      0.00000
    109      -1.3865      0.00000
    110      -1.3607      0.00000
    111      -1.2529      0.00000
    112      -1.2159      0.00000
    113      -0.7407      0.00000
    114      -0.3736      0.00000
    115      -0.2288      0.00000
    116      -0.0123      0.00000
    117       0.5892      0.00000
    118       0.7344      0.00000
    119       0.7647      0.00000
    120       1.0516      0.00000
    121       1.1473      0.00000
    122       1.2565      0.00000
    123       1.2691      0.00000
    124       1.4125      0.00000
    125       1.4782      0.00000
    126       1.5901      0.00000
    127       1.7280      0.00000
    128       1.8310      0.00000
    129       1.8874      0.00000
    130       1.9586      0.00000
    131       2.0919      0.00000
    132       2.2433      0.00000
    133       2.2460      0.00000
    134       2.2879      0.00000
    135       2.4838      0.00000
    136       2.5772      0.00000
    137       2.6189      0.00000
    138       2.7545      0.00000
    139       2.7703      0.00000
    140       2.8077      0.00000
    141       2.8653      0.00000
    142       2.8893      0.00000
    143       2.9285      0.00000
    144       3.0815      0.00000
    145       3.2600      0.00000
    146       3.2818      0.00000
    147       3.3364      0.00000
    148       3.3602      0.00000
    149       3.4645      0.00000
    150       3.5487      0.00000
    151       3.6075      0.00000
    152       3.6704      0.00000
    153       3.6998      0.00000
    154       3.8889      0.00000
    155       3.9251      0.00000
    156       3.9812      0.00000
    157       4.0658      0.00000
    158       4.1792      0.00000
    159       4.2428      0.00000
    160       4.3025      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2123      1.00000
      2     -22.0062      1.00000
      3     -21.6468      1.00000
      4     -21.6098      1.00000
      5     -20.9112      1.00000
      6     -20.8647      1.00000
      7     -20.5443      1.00000
      8     -20.5061      1.00000
      9     -20.4937      1.00000
     10     -19.9635      1.00000
     11     -19.4390      1.00000
     12     -19.4109      1.00000
     13     -19.2384      1.00000
     14     -19.2227      1.00000
     15     -18.3852      1.00000
     16     -18.3397      1.00000
     17     -17.8617      1.00000
     18     -17.8311      1.00000
     19     -17.6999      1.00000
     20     -17.6560      1.00000
     21     -17.3768      1.00000
     22     -17.3446      1.00000
     23     -17.2811      1.00000
     24     -16.3944      1.00000
     25     -16.3768      1.00000
     26     -15.8887      1.00000
     27     -15.3566      1.00000
     28     -15.3285      1.00000
     29     -15.0354      1.00000
     30     -15.0152      1.00000
     31     -14.8074      1.00000
     32     -14.7818      1.00000
     33     -14.2218      1.00000
     34     -14.1800      1.00000
     35     -13.3734      1.00000
     36     -13.3249      1.00000
     37     -13.1203      1.00000
     38     -13.1025      1.00000
     39     -12.9108      1.00000
     40     -12.8973      1.00000
     41     -12.5593      1.00000
     42     -12.5405      1.00000
     43     -12.1314      1.00000
     44     -11.5210      1.00000
     45     -11.4699      1.00000
     46     -11.2580      1.00000
     47     -11.2129      1.00000
     48     -11.0778      1.00000
     49     -10.6606      1.00000
     50     -10.5775      1.00000
     51     -10.5224      1.00000
     52     -10.2603      1.00000
     53     -10.2462      1.00000
     54     -10.1224      1.00000
     55     -10.0464      1.00000
     56     -10.0333      1.00000
     57      -9.7680      1.00000
     58      -9.7064      1.00000
     59      -9.6740      1.00000
     60      -9.6277      1.00000
     61      -9.6245      1.00000
     62      -9.5852      1.00000
     63      -9.2926      1.00000
     64      -9.2816      1.00000
     65      -9.2477      1.00000
     66      -9.0895      1.00000
     67      -8.8945      1.00000
     68      -8.8899      1.00000
     69      -8.7230      1.00000
     70      -8.5891      1.00000
     71      -8.5109      1.00000
     72      -8.3317      1.00000
     73      -8.3013      1.00000
     74      -8.2671      1.00000
     75      -8.2357      1.00000
     76      -8.1985      1.00000
     77      -8.1910      1.00000
     78      -8.1688      1.00000
     79      -8.1022      1.00000
     80      -7.6905      1.00000
     81      -7.3539      1.00000
     82      -7.3013      1.00000
     83      -7.2548      1.00000
     84      -7.1811      1.00000
     85      -7.1184      1.00000
     86      -7.0748      1.00000
     87      -6.8998      1.00000
     88      -6.8796      1.00000
     89      -6.5524      1.00000
     90      -6.4849      1.00000
     91      -6.2136      1.00000
     92      -6.0706      1.00000
     93      -5.9462      1.00000
     94      -5.7084      1.00000
     95      -5.6373      1.00000
     96      -5.4562      1.00000
     97      -5.3000      1.00000
     98      -5.2447      1.00000
     99      -5.1633      1.00000
    100      -5.1413      1.00000
    101      -4.5206      1.00000
    102      -4.4740      1.00000
    103      -4.1449      1.00000
    104      -3.8425      1.00000
    105      -3.7541      1.00000
    106      -3.6721      1.00000
    107      -1.8789      0.00000
    108      -1.8287      0.00000
    109      -1.2711      0.00000
    110      -1.0502      0.00000
    111      -0.9999      0.00000
    112      -0.7056      0.00000
    113      -0.6488      0.00000
    114      -0.5830      0.00000
    115      -0.5355      0.00000
    116      -0.1995      0.00000
    117       0.2524      0.00000
    118       0.2910      0.00000
    119       0.7604      0.00000
    120       0.9453      0.00000
    121       1.1304      0.00000
    122       1.2259      0.00000
    123       1.3204      0.00000
    124       1.4102      0.00000
    125       1.5989      0.00000
    126       1.6314      0.00000
    127       1.6939      0.00000
    128       1.8113      0.00000
    129       1.9245      0.00000
    130       2.0084      0.00000
    131       2.0543      0.00000
    132       2.2801      0.00000
    133       2.3978      0.00000
    134       2.4296      0.00000
    135       2.5389      0.00000
    136       2.6323      0.00000
    137       2.7003      0.00000
    138       2.7655      0.00000
    139       2.8339      0.00000
    140       2.8784      0.00000
    141       3.0379      0.00000
    142       3.0848      0.00000
    143       3.1863      0.00000
    144       3.2287      0.00000
    145       3.3662      0.00000
    146       3.4187      0.00000
    147       3.4839      0.00000
    148       3.5742      0.00000
    149       3.5964      0.00000
    150       3.6324      0.00000
    151       3.6839      0.00000
    152       3.7237      0.00000
    153       3.7493      0.00000
    154       3.7789      0.00000
    155       3.8746      0.00000
    156       3.9694      0.00000
    157       3.9784      0.00000
    158       4.1627      0.00000
    159       4.2051      0.00000
    160       4.2429      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2461      1.00000
      2     -21.8917      1.00000
      3     -21.8211      1.00000
      4     -21.3087      1.00000
      5     -21.2782      1.00000
      6     -20.7702      1.00000
      7     -20.7043      1.00000
      8     -20.5569      1.00000
      9     -20.0042      1.00000
     10     -19.9965      1.00000
     11     -19.6474      1.00000
     12     -19.6228      1.00000
     13     -18.9265      1.00000
     14     -18.9178      1.00000
     15     -18.5618      1.00000
     16     -18.5489      1.00000
     17     -18.3983      1.00000
     18     -17.6211      1.00000
     19     -17.5639      1.00000
     20     -17.5592      1.00000
     21     -17.5185      1.00000
     22     -17.0504      1.00000
     23     -17.0344      1.00000
     24     -16.8676      1.00000
     25     -15.9056      1.00000
     26     -15.8824      1.00000
     27     -15.5096      1.00000
     28     -15.5091      1.00000
     29     -15.2500      1.00000
     30     -14.7830      1.00000
     31     -14.7563      1.00000
     32     -14.5194      1.00000
     33     -14.4763      1.00000
     34     -14.1007      1.00000
     35     -14.0903      1.00000
     36     -13.0540      1.00000
     37     -13.0310      1.00000
     38     -12.9701      1.00000
     39     -12.9600      1.00000
     40     -12.6456      1.00000
     41     -12.6387      1.00000
     42     -12.2665      1.00000
     43     -12.2355      1.00000
     44     -11.5911      1.00000
     45     -11.5616      1.00000
     46     -11.5171      1.00000
     47     -10.9035      1.00000
     48     -10.8503      1.00000
     49     -10.6207      1.00000
     50     -10.5526      1.00000
     51     -10.4802      1.00000
     52     -10.4233      1.00000
     53     -10.4148      1.00000
     54     -10.3494      1.00000
     55     -10.2966      1.00000
     56     -10.0645      1.00000
     57      -9.8317      1.00000
     58      -9.5505      1.00000
     59      -9.4907      1.00000
     60      -9.4706      1.00000
     61      -9.3412      1.00000
     62      -9.3262      1.00000
     63      -9.3066      1.00000
     64      -9.3049      1.00000
     65      -9.2107      1.00000
     66      -9.1172      1.00000
     67      -9.0849      1.00000
     68      -9.0642      1.00000
     69      -8.8489      1.00000
     70      -8.7866      1.00000
     71      -8.7693      1.00000
     72      -8.5287      1.00000
     73      -8.4776      1.00000
     74      -8.2247      1.00000
     75      -8.1115      1.00000
     76      -8.1017      1.00000
     77      -7.8007      1.00000
     78      -7.7756      1.00000
     79      -7.7736      1.00000
     80      -7.6685      1.00000
     81      -7.6304      1.00000
     82      -7.6303      1.00000
     83      -7.4016      1.00000
     84      -7.3260      1.00000
     85      -7.2020      1.00000
     86      -6.8330      1.00000
     87      -6.8252      1.00000
     88      -6.6582      1.00000
     89      -6.5367      1.00000
     90      -6.3260      1.00000
     91      -6.2938      1.00000
     92      -6.1807      1.00000
     93      -6.1544      1.00000
     94      -5.9860      1.00000
     95      -5.5818      1.00000
     96      -5.4355      1.00000
     97      -5.2693      1.00000
     98      -5.2423      1.00000
     99      -5.1587      1.00000
    100      -4.6834      1.00000
    101      -4.6676      1.00000
    102      -4.3501      1.00000
    103      -4.3142      1.00000
    104      -3.9682      1.00000
    105      -3.8366      1.00000
    106      -3.3692      1.00000
    107      -2.2398      0.00000
    108      -1.3854      0.00000
    109      -1.2948      0.00000
    110      -1.1741      0.00000
    111      -1.0743      0.00000
    112      -0.8830      0.00000
    113      -0.7532      0.00000
    114      -0.7434      0.00000
    115      -0.2158      0.00000
    116       0.1074      0.00000
    117       0.2562      0.00000
    118       0.3610      0.00000
    119       0.7334      0.00000
    120       0.9019      0.00000
    121       0.9701      0.00000
    122       1.0967      0.00000
    123       1.2047      0.00000
    124       1.5324      0.00000
    125       1.5551      0.00000
    126       1.7152      0.00000
    127       1.8410      0.00000
    128       1.8629      0.00000
    129       1.9257      0.00000
    130       2.0033      0.00000
    131       2.1396      0.00000
    132       2.2643      0.00000
    133       2.4009      0.00000
    134       2.4596      0.00000
    135       2.4629      0.00000
    136       2.6648      0.00000
    137       2.6827      0.00000
    138       2.7305      0.00000
    139       2.7418      0.00000
    140       2.8836      0.00000
    141       3.0155      0.00000
    142       3.0750      0.00000
    143       3.1543      0.00000
    144       3.2024      0.00000
    145       3.2482      0.00000
    146       3.2487      0.00000
    147       3.3507      0.00000
    148       3.4663      0.00000
    149       3.5355      0.00000
    150       3.6963      0.00000
    151       3.7374      0.00000
    152       3.7802      0.00000
    153       3.8078      0.00000
    154       3.8661      0.00000
    155       3.9374      0.00000
    156       3.9693      0.00000
    157       4.0048      0.00000
    158       4.0211      0.00000
    159       4.1169      0.00000
    160       4.2291      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1400      1.00000
      2     -22.0451      1.00000
      3     -21.8844      1.00000
      4     -21.3320      1.00000
      5     -20.9804      1.00000
      6     -20.9415      1.00000
      7     -20.4318      1.00000
      8     -20.3885      1.00000
      9     -20.2263      1.00000
     10     -20.2046      1.00000
     11     -19.8856      1.00000
     12     -19.8180      1.00000
     13     -18.8105      1.00000
     14     -18.7392      1.00000
     15     -18.2916      1.00000
     16     -18.2368      1.00000
     17     -18.0871      1.00000
     18     -18.0600      1.00000
     19     -17.7637      1.00000
     20     -17.7182      1.00000
     21     -17.1959      1.00000
     22     -17.1518      1.00000
     23     -17.1082      1.00000
     24     -17.0575      1.00000
     25     -16.0279      1.00000
     26     -15.8303      1.00000
     27     -15.7915      1.00000
     28     -15.7556      1.00000
     29     -15.1810      1.00000
     30     -14.4893      1.00000
     31     -14.4529      1.00000
     32     -14.2257      1.00000
     33     -13.8988      1.00000
     34     -13.8794      1.00000
     35     -13.7616      1.00000
     36     -13.7168      1.00000
     37     -13.5534      1.00000
     38     -13.5042      1.00000
     39     -13.2962      1.00000
     40     -12.5566      1.00000
     41     -12.1264      1.00000
     42     -12.0668      1.00000
     43     -12.0129      1.00000
     44     -11.9485      1.00000
     45     -11.6100      1.00000
     46     -11.5850      1.00000
     47     -11.0826      1.00000
     48     -11.0458      1.00000
     49     -10.7514      1.00000
     50     -10.6594      1.00000
     51     -10.5273      1.00000
     52     -10.1506      1.00000
     53     -10.1370      1.00000
     54     -10.0949      1.00000
     55      -9.9504      1.00000
     56      -9.9461      1.00000
     57      -9.9127      1.00000
     58      -9.7354      1.00000
     59      -9.7348      1.00000
     60      -9.7041      1.00000
     61      -9.6723      1.00000
     62      -9.4274      1.00000
     63      -9.3588      1.00000
     64      -9.0862      1.00000
     65      -9.0048      1.00000
     66      -8.9687      1.00000
     67      -8.8939      1.00000
     68      -8.8106      1.00000
     69      -8.6605      1.00000
     70      -8.6337      1.00000
     71      -8.5802      1.00000
     72      -8.4778      1.00000
     73      -8.4629      1.00000
     74      -8.4111      1.00000
     75      -8.3861      1.00000
     76      -8.1813      1.00000
     77      -8.1141      1.00000
     78      -7.9782      1.00000
     79      -7.9166      1.00000
     80      -7.8350      1.00000
     81      -7.6142      1.00000
     82      -7.5268      1.00000
     83      -7.4750      1.00000
     84      -7.2590      1.00000
     85      -6.9289      1.00000
     86      -6.8479      1.00000
     87      -6.7992      1.00000
     88      -6.5706      1.00000
     89      -6.4719      1.00000
     90      -6.4212      1.00000
     91      -6.3521      1.00000
     92      -6.0539      1.00000
     93      -5.8792      1.00000
     94      -5.7497      1.00000
     95      -5.7267      1.00000
     96      -5.4753      1.00000
     97      -5.3485      1.00000
     98      -5.1864      1.00000
     99      -5.1668      1.00000
    100      -5.1441      1.00000
    101      -4.7005      1.00000
    102      -4.4449      1.00000
    103      -4.2547      1.00000
    104      -3.9997      1.00000
    105      -3.8354      1.00000
    106      -3.1482      1.00000
    107      -2.4685      0.00000
    108      -1.3737      0.00000
    109      -1.2512      0.00000
    110      -1.1408      0.00000
    111      -1.1187      0.00000
    112      -0.5631      0.00000
    113      -0.4325      0.00000
    114      -0.4167      0.00000
    115      -0.3180      0.00000
    116      -0.1816      0.00000
    117       0.0696      0.00000
    118       0.1224      0.00000
    119       0.5365      0.00000
    120       0.6821      0.00000
    121       0.8725      0.00000
    122       0.9682      0.00000
    123       1.1083      0.00000
    124       1.4998      0.00000
    125       1.6622      0.00000
    126       1.7896      0.00000
    127       1.8777      0.00000
    128       2.0708      0.00000
    129       2.0952      0.00000
    130       2.1568      0.00000
    131       2.2125      0.00000
    132       2.3274      0.00000
    133       2.3392      0.00000
    134       2.4712      0.00000
    135       2.5609      0.00000
    136       2.6733      0.00000
    137       2.8789      0.00000
    138       2.9425      0.00000
    139       2.9662      0.00000
    140       2.9806      0.00000
    141       3.0375      0.00000
    142       3.1334      0.00000
    143       3.1502      0.00000
    144       3.2406      0.00000
    145       3.2901      0.00000
    146       3.3301      0.00000
    147       3.3500      0.00000
    148       3.3767      0.00000
    149       3.3809      0.00000
    150       3.4970      0.00000
    151       3.5459      0.00000
    152       3.5997      0.00000
    153       3.6421      0.00000
    154       3.6813      0.00000
    155       3.7054      0.00000
    156       3.9191      0.00000
    157       3.9328      0.00000
    158       4.0641      0.00000
    159       4.0905      0.00000
    160       4.2042      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2457      1.00000
      2     -21.8931      1.00000
      3     -21.8197      1.00000
      4     -21.3151      1.00000
      5     -21.2760      1.00000
      6     -20.7688      1.00000
      7     -20.6998      1.00000
      8     -20.5513      1.00000
      9     -20.0226      1.00000
     10     -19.9896      1.00000
     11     -19.6485      1.00000
     12     -19.6159      1.00000
     13     -18.9433      1.00000
     14     -18.9061      1.00000
     15     -18.5855      1.00000
     16     -18.5476      1.00000
     17     -18.3869      1.00000
     18     -17.6013      1.00000
     19     -17.5598      1.00000
     20     -17.5360      1.00000
     21     -17.5020      1.00000
     22     -17.0771      1.00000
     23     -17.0242      1.00000
     24     -16.9085      1.00000
     25     -15.9549      1.00000
     26     -15.8406      1.00000
     27     -15.5347      1.00000
     28     -15.5051      1.00000
     29     -15.1947      1.00000
     30     -14.8165      1.00000
     31     -14.7637      1.00000
     32     -14.5102      1.00000
     33     -14.4556      1.00000
     34     -14.0970      1.00000
     35     -14.0868      1.00000
     36     -13.1115      1.00000
     37     -13.0290      1.00000
     38     -12.9574      1.00000
     39     -12.9376      1.00000
     40     -12.6529      1.00000
     41     -12.6239      1.00000
     42     -12.2760      1.00000
     43     -12.2459      1.00000
     44     -11.5761      1.00000
     45     -11.5436      1.00000
     46     -11.4907      1.00000
     47     -10.8727      1.00000
     48     -10.8693      1.00000
     49     -10.6836      1.00000
     50     -10.5247      1.00000
     51     -10.5210      1.00000
     52     -10.4334      1.00000
     53     -10.4189      1.00000
     54     -10.3766      1.00000
     55     -10.2831      1.00000
     56     -10.0601      1.00000
     57      -9.8304      1.00000
     58      -9.5551      1.00000
     59      -9.4806      1.00000
     60      -9.4439      1.00000
     61      -9.3595      1.00000
     62      -9.3339      1.00000
     63      -9.3083      1.00000
     64      -9.2982      1.00000
     65      -9.2055      1.00000
     66      -9.0979      1.00000
     67      -9.0597      1.00000
     68      -9.0371      1.00000
     69      -8.8509      1.00000
     70      -8.7977      1.00000
     71      -8.7765      1.00000
     72      -8.5225      1.00000
     73      -8.4959      1.00000
     74      -8.2252      1.00000
     75      -8.1262      1.00000
     76      -8.0880      1.00000
     77      -7.8131      1.00000
     78      -7.7614      1.00000
     79      -7.7426      1.00000
     80      -7.7024      1.00000
     81      -7.6420      1.00000
     82      -7.6134      1.00000
     83      -7.3892      1.00000
     84      -7.3370      1.00000
     85      -7.2218      1.00000
     86      -6.8511      1.00000
     87      -6.8110      1.00000
     88      -6.6359      1.00000
     89      -6.5331      1.00000
     90      -6.3500      1.00000
     91      -6.2764      1.00000
     92      -6.1991      1.00000
     93      -6.1200      1.00000
     94      -6.0153      1.00000
     95      -5.6275      1.00000
     96      -5.5136      1.00000
     97      -5.2880      1.00000
     98      -5.1481      1.00000
     99      -5.0478      1.00000
    100      -4.7205      1.00000
    101      -4.6921      1.00000
    102      -4.3760      1.00000
    103      -4.1835      1.00000
    104      -4.0128      1.00000
    105      -3.8347      1.00000
    106      -3.4937      1.00000
    107      -2.1511      0.00000
    108      -1.3766      0.00000
    109      -1.2452      0.00000
    110      -1.1681      0.00000
    111      -1.0079      0.00000
    112      -0.9669      0.00000
    113      -0.8035      0.00000
    114      -0.7556      0.00000
    115      -0.3645      0.00000
    116       0.2445      0.00000
    117       0.2843      0.00000
    118       0.3644      0.00000
    119       0.7008      0.00000
    120       0.8669      0.00000
    121       0.9754      0.00000
    122       1.1274      0.00000
    123       1.2314      0.00000
    124       1.4590      0.00000
    125       1.5523      0.00000
    126       1.7804      0.00000
    127       1.8439      0.00000
    128       1.8731      0.00000
    129       1.9766      0.00000
    130       2.0111      0.00000
    131       2.1769      0.00000
    132       2.2185      0.00000
    133       2.3846      0.00000
    134       2.4007      0.00000
    135       2.5151      0.00000
    136       2.6625      0.00000
    137       2.6872      0.00000
    138       2.7239      0.00000
    139       2.7653      0.00000
    140       2.8536      0.00000
    141       2.9654      0.00000
    142       3.0729      0.00000
    143       3.1484      0.00000
    144       3.1932      0.00000
    145       3.2441      0.00000
    146       3.2751      0.00000
    147       3.3222      0.00000
    148       3.4702      0.00000
    149       3.5040      0.00000
    150       3.6807      0.00000
    151       3.7187      0.00000
    152       3.7692      0.00000
    153       3.8526      0.00000
    154       3.8608      0.00000
    155       3.8900      0.00000
    156       3.9560      0.00000
    157       3.9963      0.00000
    158       4.0321      0.00000
    159       4.0451      0.00000
    160       4.1402      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3177      1.00000
      2     -21.7589      1.00000
      3     -21.5667      1.00000
      4     -21.5397      1.00000
      5     -21.2033      1.00000
      6     -21.1646      1.00000
      7     -20.9821      1.00000
      8     -20.0955      1.00000
      9     -20.0567      1.00000
     10     -19.5490      1.00000
     11     -19.5282      1.00000
     12     -19.3382      1.00000
     13     -19.0263      1.00000
     14     -18.9887      1.00000
     15     -18.9762      1.00000
     16     -18.9677      1.00000
     17     -18.2973      1.00000
     18     -18.2833      1.00000
     19     -17.9348      1.00000
     20     -16.9905      1.00000
     21     -16.9474      1.00000
     22     -16.8834      1.00000
     23     -16.8721      1.00000
     24     -16.4274      1.00000
     25     -16.4050      1.00000
     26     -15.5358      1.00000
     27     -15.5325      1.00000
     28     -15.1555      1.00000
     29     -15.1550      1.00000
     30     -15.1325      1.00000
     31     -15.0432      1.00000
     32     -15.0081      1.00000
     33     -14.6319      1.00000
     34     -14.6251      1.00000
     35     -13.6587      1.00000
     36     -13.6489      1.00000
     37     -13.1689      1.00000
     38     -12.5787      1.00000
     39     -12.5186      1.00000
     40     -12.3855      1.00000
     41     -12.3855      1.00000
     42     -12.0189      1.00000
     43     -12.0150      1.00000
     44     -11.6550      1.00000
     45     -11.6144      1.00000
     46     -11.2147      1.00000
     47     -11.1647      1.00000
     48     -10.9510      1.00000
     49     -10.9370      1.00000
     50     -10.8530      1.00000
     51     -10.8203      1.00000
     52     -10.6258      1.00000
     53     -10.1522      1.00000
     54     -10.0949      1.00000
     55     -10.0287      1.00000
     56      -9.9468      1.00000
     57      -9.6240      1.00000
     58      -9.6174      1.00000
     59      -9.5965      1.00000
     60      -9.5411      1.00000
     61      -9.5040      1.00000
     62      -9.4785      1.00000
     63      -9.2704      1.00000
     64      -9.2293      1.00000
     65      -9.2031      1.00000
     66      -9.1835      1.00000
     67      -9.0614      1.00000
     68      -9.0439      1.00000
     69      -9.0406      1.00000
     70      -8.8728      1.00000
     71      -8.8108      1.00000
     72      -8.5328      1.00000
     73      -8.5219      1.00000
     74      -8.4959      1.00000
     75      -8.0362      1.00000
     76      -7.8295      1.00000
     77      -7.7972      1.00000
     78      -7.7697      1.00000
     79      -7.6982      1.00000
     80      -7.6789      1.00000
     81      -7.4161      1.00000
     82      -7.2949      1.00000
     83      -7.2583      1.00000
     84      -7.2096      1.00000
     85      -7.0800      1.00000
     86      -7.0718      1.00000
     87      -6.9277      1.00000
     88      -6.7084      1.00000
     89      -6.6765      1.00000
     90      -6.6333      1.00000
     91      -6.5509      1.00000
     92      -6.0837      1.00000
     93      -6.0389      1.00000
     94      -5.9967      1.00000
     95      -5.9266      1.00000
     96      -5.7860      1.00000
     97      -5.1801      1.00000
     98      -4.8952      1.00000
     99      -4.7982      1.00000
    100      -4.5953      1.00000
    101      -4.5169      1.00000
    102      -4.1494      1.00000
    103      -4.0869      1.00000
    104      -3.9405      1.00000
    105      -3.9249      1.00000
    106      -3.8338      1.00000
    107      -1.7360      0.00000
    108      -1.6799      0.00000
    109      -1.4029      0.00000
    110      -1.3819      0.00000
    111      -1.2594      0.00000
    112      -1.2508      0.00000
    113      -0.6236      0.00000
    114      -0.6098      0.00000
    115      -0.1849      0.00000
    116       0.0468      0.00000
    117       0.5844      0.00000
    118       0.7463      0.00000
    119       0.8569      0.00000
    120       0.9259      0.00000
    121       1.1634      0.00000
    122       1.2101      0.00000
    123       1.2434      0.00000
    124       1.4105      0.00000
    125       1.5986      0.00000
    126       1.6421      0.00000
    127       1.7039      0.00000
    128       1.7718      0.00000
    129       1.9295      0.00000
    130       1.9522      0.00000
    131       2.1391      0.00000
    132       2.1691      0.00000
    133       2.2566      0.00000
    134       2.2890      0.00000
    135       2.5514      0.00000
    136       2.5605      0.00000
    137       2.5868      0.00000
    138       2.7512      0.00000
    139       2.7745      0.00000
    140       2.7908      0.00000
    141       2.8904      0.00000
    142       2.9135      0.00000
    143       3.0133      0.00000
    144       3.0229      0.00000
    145       3.0766      0.00000
    146       3.2726      0.00000
    147       3.3159      0.00000
    148       3.3862      0.00000
    149       3.4752      0.00000
    150       3.5646      0.00000
    151       3.6372      0.00000
    152       3.6551      0.00000
    153       3.6748      0.00000
    154       3.8826      0.00000
    155       3.9534      0.00000
    156       3.9945      0.00000
    157       4.0736      0.00000
    158       4.2272      0.00000
    159       4.2491      0.00000
    160       4.2584      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1388      1.00000
      2     -22.0460      1.00000
      3     -21.8849      1.00000
      4     -21.3351      1.00000
      5     -20.9743      1.00000
      6     -20.9446      1.00000
      7     -20.4263      1.00000
      8     -20.3941      1.00000
      9     -20.2115      1.00000
     10     -20.2092      1.00000
     11     -19.8890      1.00000
     12     -19.8253      1.00000
     13     -18.8211      1.00000
     14     -18.7502      1.00000
     15     -18.2579      1.00000
     16     -18.2446      1.00000
     17     -18.0793      1.00000
     18     -18.0725      1.00000
     19     -17.7387      1.00000
     20     -17.7239      1.00000
     21     -17.2010      1.00000
     22     -17.1768      1.00000
     23     -17.0762      1.00000
     24     -17.0645      1.00000
     25     -16.0682      1.00000
     26     -15.8023      1.00000
     27     -15.7935      1.00000
     28     -15.7929      1.00000
     29     -15.1357      1.00000
     30     -14.4872      1.00000
     31     -14.4657      1.00000
     32     -14.1812      1.00000
     33     -13.9180      1.00000
     34     -13.8886      1.00000
     35     -13.7650      1.00000
     36     -13.7458      1.00000
     37     -13.5271      1.00000
     38     -13.5019      1.00000
     39     -13.3029      1.00000
     40     -12.5860      1.00000
     41     -12.0935      1.00000
     42     -12.0703      1.00000
     43     -11.9920      1.00000
     44     -11.9446      1.00000
     45     -11.6042      1.00000
     46     -11.5965      1.00000
     47     -11.0884      1.00000
     48     -11.0643      1.00000
     49     -10.7324      1.00000
     50     -10.6647      1.00000
     51     -10.5602      1.00000
     52     -10.1329      1.00000
     53     -10.1280      1.00000
     54     -10.0985      1.00000
     55      -9.9661      1.00000
     56      -9.9265      1.00000
     57      -9.9212      1.00000
     58      -9.7513      1.00000
     59      -9.7236      1.00000
     60      -9.7020      1.00000
     61      -9.6990      1.00000
     62      -9.4027      1.00000
     63      -9.3936      1.00000
     64      -9.0695      1.00000
     65      -8.9839      1.00000
     66      -8.9836      1.00000
     67      -8.8888      1.00000
     68      -8.8057      1.00000
     69      -8.6429      1.00000
     70      -8.6253      1.00000
     71      -8.5464      1.00000
     72      -8.5007      1.00000
     73      -8.4810      1.00000
     74      -8.3830      1.00000
     75      -8.3717      1.00000
     76      -8.2081      1.00000
     77      -8.1014      1.00000
     78      -8.0003      1.00000
     79      -7.9023      1.00000
     80      -7.8544      1.00000
     81      -7.6252      1.00000
     82      -7.5355      1.00000
     83      -7.4378      1.00000
     84      -7.2563      1.00000
     85      -6.9547      1.00000
     86      -6.8785      1.00000
     87      -6.8267      1.00000
     88      -6.4842      1.00000
     89      -6.4557      1.00000
     90      -6.3950      1.00000
     91      -6.3660      1.00000
     92      -6.1848      1.00000
     93      -5.8531      1.00000
     94      -5.7333      1.00000
     95      -5.7106      1.00000
     96      -5.5147      1.00000
     97      -5.3314      1.00000
     98      -5.1645      1.00000
     99      -5.1560      1.00000
    100      -5.1369      1.00000
    101      -4.7059      1.00000
    102      -4.3567      1.00000
    103      -4.2802      1.00000
    104      -4.0347      1.00000
    105      -3.8364      1.00000
    106      -3.2500      1.00000
    107      -2.3843      0.00000
    108      -1.3404      0.00000
    109      -1.2598      0.00000
    110      -1.1379      0.00000
    111      -1.0954      0.00000
    112      -0.5828      0.00000
    113      -0.5275      0.00000
    114      -0.4416      0.00000
    115      -0.2726      0.00000
    116      -0.0716      0.00000
    117      -0.0148      0.00000
    118       0.0513      0.00000
    119       0.5933      0.00000
    120       0.7216      0.00000
    121       0.8134      0.00000
    122       0.9417      0.00000
    123       1.1799      0.00000
    124       1.5210      0.00000
    125       1.6139      0.00000
    126       1.8498      0.00000
    127       1.9983      0.00000
    128       2.0363      0.00000
    129       2.0907      0.00000
    130       2.1159      0.00000
    131       2.2222      0.00000
    132       2.2924      0.00000
    133       2.3407      0.00000
    134       2.4258      0.00000
    135       2.6106      0.00000
    136       2.7016      0.00000
    137       2.8203      0.00000
    138       2.9157      0.00000
    139       2.9428      0.00000
    140       3.0108      0.00000
    141       3.0378      0.00000
    142       3.1173      0.00000
    143       3.1579      0.00000
    144       3.2097      0.00000
    145       3.2960      0.00000
    146       3.3069      0.00000
    147       3.3525      0.00000
    148       3.3684      0.00000
    149       3.4143      0.00000
    150       3.4289      0.00000
    151       3.5218      0.00000
    152       3.5923      0.00000
    153       3.6470      0.00000
    154       3.6834      0.00000
    155       3.8572      0.00000
    156       3.8906      0.00000
    157       3.9517      0.00000
    158       3.9574      0.00000
    159       4.1530      0.00000
    160       4.1852      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2116      1.00000
      2     -22.0061      1.00000
      3     -21.6456      1.00000
      4     -21.6144      1.00000
      5     -20.9080      1.00000
      6     -20.8674      1.00000
      7     -20.5366      1.00000
      8     -20.5025      1.00000
      9     -20.4975      1.00000
     10     -19.9571      1.00000
     11     -19.4438      1.00000
     12     -19.4210      1.00000
     13     -19.2424      1.00000
     14     -19.2349      1.00000
     15     -18.3699      1.00000
     16     -18.3348      1.00000
     17     -17.8604      1.00000
     18     -17.8437      1.00000
     19     -17.6831      1.00000
     20     -17.6469      1.00000
     21     -17.3742      1.00000
     22     -17.3595      1.00000
     23     -17.2479      1.00000
     24     -16.4251      1.00000
     25     -16.4017      1.00000
     26     -15.9140      1.00000
     27     -15.3418      1.00000
     28     -15.3370      1.00000
     29     -15.0300      1.00000
     30     -15.0205      1.00000
     31     -14.7542      1.00000
     32     -14.7527      1.00000
     33     -14.2418      1.00000
     34     -14.1907      1.00000
     35     -13.3920      1.00000
     36     -13.3371      1.00000
     37     -13.1048      1.00000
     38     -13.0968      1.00000
     39     -12.9228      1.00000
     40     -12.9171      1.00000
     41     -12.5354      1.00000
     42     -12.5277      1.00000
     43     -12.1315      1.00000
     44     -11.5125      1.00000
     45     -11.4678      1.00000
     46     -11.2410      1.00000
     47     -11.2091      1.00000
     48     -11.0854      1.00000
     49     -10.7112      1.00000
     50     -10.6016      1.00000
     51     -10.5123      1.00000
     52     -10.2455      1.00000
     53     -10.2416      1.00000
     54     -10.1213      1.00000
     55     -10.0575      1.00000
     56     -10.0420      1.00000
     57      -9.7850      1.00000
     58      -9.6878      1.00000
     59      -9.6730      1.00000
     60      -9.6349      1.00000
     61      -9.6260      1.00000
     62      -9.5862      1.00000
     63      -9.2954      1.00000
     64      -9.2836      1.00000
     65      -9.2576      1.00000
     66      -9.0659      1.00000
     67      -8.8840      1.00000
     68      -8.8732      1.00000
     69      -8.7170      1.00000
     70      -8.5808      1.00000
     71      -8.5266      1.00000
     72      -8.3452      1.00000
     73      -8.3015      1.00000
     74      -8.2346      1.00000
     75      -8.2286      1.00000
     76      -8.1787      1.00000
     77      -8.1658      1.00000
     78      -8.1647      1.00000
     79      -8.1060      1.00000
     80      -7.6815      1.00000
     81      -7.4236      1.00000
     82      -7.3592      1.00000
     83      -7.2716      1.00000
     84      -7.1790      1.00000
     85      -7.1169      1.00000
     86      -7.0097      1.00000
     87      -6.9099      1.00000
     88      -6.8527      1.00000
     89      -6.5278      1.00000
     90      -6.5113      1.00000
     91      -6.2075      1.00000
     92      -6.1842      1.00000
     93      -5.8847      1.00000
     94      -5.6783      1.00000
     95      -5.6007      1.00000
     96      -5.5852      1.00000
     97      -5.2406      1.00000
     98      -5.2238      1.00000
     99      -5.1586      1.00000
    100      -5.1344      1.00000
    101      -4.6056      1.00000
    102      -4.2505      1.00000
    103      -4.0520      1.00000
    104      -3.8994      1.00000
    105      -3.8503      1.00000
    106      -3.8119      1.00000
    107      -1.7879      0.00000
    108      -1.7615      0.00000
    109      -1.2232      0.00000
    110      -1.1899      0.00000
    111      -0.9680      0.00000
    112      -0.7295      0.00000
    113      -0.6569      0.00000
    114      -0.5917      0.00000
    115      -0.5594      0.00000
    116      -0.1504      0.00000
    117       0.1694      0.00000
    118       0.2818      0.00000
    119       0.7065      0.00000
    120       0.9475      0.00000
    121       1.1766      0.00000
    122       1.2865      0.00000
    123       1.3387      0.00000
    124       1.5228      0.00000
    125       1.6090      0.00000
    126       1.6362      0.00000
    127       1.7004      0.00000
    128       1.7633      0.00000
    129       1.8557      0.00000
    130       2.0399      0.00000
    131       2.1324      0.00000
    132       2.2885      0.00000
    133       2.3883      0.00000
    134       2.4131      0.00000
    135       2.5642      0.00000
    136       2.6242      0.00000
    137       2.6821      0.00000
    138       2.6902      0.00000
    139       2.7618      0.00000
    140       2.9029      0.00000
    141       3.0523      0.00000
    142       3.0625      0.00000
    143       3.1762      0.00000
    144       3.2759      0.00000
    145       3.3769      0.00000
    146       3.4003      0.00000
    147       3.4568      0.00000
    148       3.5451      0.00000
    149       3.5580      0.00000
    150       3.6211      0.00000
    151       3.6553      0.00000
    152       3.6980      0.00000
    153       3.7323      0.00000
    154       3.7406      0.00000
    155       3.8206      0.00000
    156       3.8826      0.00000
    157       3.8911      0.00000
    158       3.9458      0.00000
    159       4.1797      0.00000
    160       4.2295      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0401   -7.2579    3.9860   -1.1335   -0.1860   17.4307    0.4902   -0.8155    0.7728   -0.4779
x    -3.1258   -0.0256   -0.0213   -0.0253    0.0911   -3.0585    0.0298   -0.0245    0.0084    0.0018
x    -0.0970   -0.0029    0.0036   -0.0031    0.0022   -0.0241    0.0000    0.0000   -0.0001    0.0001
x    -0.0035   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0401    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0034    0.0000    0.0004    0.0007    0.0028   -0.0952   -0.0314    0.0619    0.0184
y     0.0228   -3.2417   -0.1796    0.1686   -2.4090   -0.6648
z   204.0401    1.7360    0.2895    0.0882   -0.0012    0.0751   -0.0019    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1049    0.0015   -0.0010   -0.0001    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0013   -0.0001    0.0001    0.0000
z    -0.0001    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  -16.7016
z     0.1379    0.2293   -0.0307    0.0575   -0.0873    0.0006
 total charge-density along one line
x   212.0000  -10.0853    5.9320   -1.9423   -0.4217   19.3538   -0.6600    0.2075    0.0673   -0.1074
x    -2.7072   -0.0093    0.0010   -0.0441    0.0965   -2.3468    0.0473   -0.0345    0.0118    0.0024
x    -0.0869   -0.0054    0.0083   -0.0079    0.0054   -0.0372    0.0000   -0.0001    0.0003   -0.0004
x    -0.0055    0.0000   -0.0002    0.0001    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  -10.0853    5.9320   -1.9423   -0.4217   19.3538   -0.6600    0.2075    0.0673   -0.1074
y    -2.7072   -0.0093    0.0010   -0.0441    0.0965   -2.3468    0.0473   -0.0345    0.0118    0.0024
y    -0.0869   -0.0054    0.0083   -0.0079    0.0054   -0.0372    0.0000   -0.0001    0.0003   -0.0004
y    -0.0055    0.0000   -0.0002    0.0001    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 -205.3105  188.8835 -170.1788  154.0915 -140.4050  126.4976 -111.0198   94.7558  -79.0969
z    64.7348  -51.8006   40.5650  -31.5124   24.7892  -19.8636   15.8653  -12.2195    8.9146   -6.2283
z     4.2960   -2.9625    1.9637   -1.1550    0.5442   -0.1587   -0.0596    0.2201   -0.3824    0.5178
z    -0.5682    0.5253   -0.4416    0.3771   -0.3479    0.3293   -0.2951    0.2453   -0.1978    0.1644
z    -0.1417    0.1199   -0.0961    0.0750   -0.0612    0.0534   -0.0469    0.0392   -0.0314    0.0259
z    -0.0227    0.0203   -0.0173    0.0141   -0.0113    0.0093   -0.0076    0.0059   -0.0043    0.0032
z    -0.0022    0.0013   -0.0004   -0.0002    0.0004   -0.0004    0.0005   -0.0008    0.0009   -0.0007
z     0.0004   -0.0002    0.0001   -0.0001    0.0000    0.0001   -0.0003    0.0003   -0.0004    0.0003
z    -0.0003    0.0003   -0.0002    0.0002   -0.0002    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001
z     0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 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
-10.943   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.272   0.000  -0.101   0.000   0.000   0.240   0.000
  0.041   0.000 -11.248   0.000  -0.024  -0.006   0.000   0.238
  0.000  -0.101   0.000 -11.155   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.940   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.240   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.238   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.226   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.199   0.000   0.000   0.000
  0.036   0.000   0.101   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.026   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.943   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.272   0.000  -0.101   0.000   0.000   0.240   0.000
  0.041   0.000 -11.248   0.000  -0.024  -0.006   0.000   0.238
  0.000  -0.101   0.000 -11.155   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.940   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.240   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.238   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.226   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.199   0.000   0.000   0.000
  0.036   0.000   0.101   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.026   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.960   0.000  -0.027   0.000   0.002   0.020   0.000   0.057   0.000  -0.014  -0.026   0.025   0.000  -0.001   0.000   0.000
  0.000   1.586   0.000  -0.146   0.000   0.000   0.593   0.000   0.259   0.000   0.000   0.000   0.160   0.000   0.106  -0.035
 -0.027   0.000   1.788   0.000   0.019   0.043   0.000   0.355   0.000  -0.026  -0.233  -0.044   0.000   0.095   0.000   0.000
  0.000  -0.146   0.000   1.755   0.000   0.000   0.259   0.000   0.295   0.000   0.000   0.000   0.108   0.000   0.038   0.005
  0.002   0.000   0.019   0.000   1.966  -0.014   0.000  -0.035   0.000   0.002   0.010  -0.015   0.000   0.003   0.000   0.000
  0.020   0.000   0.043   0.000  -0.014   0.063   0.000   0.100   0.000  -0.024   0.191  -0.052   0.000   0.116   0.000   0.000
  0.000   0.593   0.000   0.259   0.000   0.000   0.328   0.000   0.105   0.000   0.000   0.000   0.056   0.000   0.066  -0.011
  0.057   0.000   0.355   0.000  -0.035   0.100   0.000   0.566   0.000  -0.057   0.703  -0.293   0.000   0.086   0.000   0.000
  0.000   0.259   0.000   0.295   0.000   0.000   0.105   0.000   0.207   0.000   0.000   0.000   0.065   0.000  -0.020  -0.006
 -0.014   0.000  -0.026   0.000   0.002  -0.024   0.000  -0.057   0.000   0.036  -0.108   0.030   0.000  -0.068   0.000   0.000
 -0.026   0.000  -0.233   0.000   0.010   0.191   0.000   0.703   0.000  -0.108   1.352  -0.432   0.000   0.264   0.000   0.000
  0.025   0.000  -0.044   0.000  -0.015  -0.052   0.000  -0.293   0.000   0.030  -0.432   0.192   0.000  -0.033   0.000   0.000
  0.000   0.160   0.000   0.108   0.000   0.000   0.056   0.000   0.065   0.000   0.000   0.000   0.043   0.000   0.011  -0.004
 -0.001   0.000   0.095   0.000   0.003   0.116   0.000   0.086   0.000  -0.068   0.264  -0.033   0.000   0.311   0.000   0.000
  0.000   0.106   0.000   0.038   0.000   0.000   0.066   0.000  -0.020   0.000   0.000   0.000   0.011   0.000   0.031  -0.002
  0.000  -0.035   0.000   0.005   0.000   0.000  -0.011   0.000  -0.006   0.000   0.000   0.000  -0.004   0.000  -0.002   0.001
  0.001   0.000  -0.037   0.000  -0.001  -0.005   0.000  -0.009   0.000   0.003  -0.006   0.000   0.000  -0.014   0.000   0.000
  0.000   0.005   0.000  -0.041   0.000   0.000  -0.006   0.000  -0.004   0.000   0.000   0.000  -0.002   0.000  -0.002   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        0.639   0.278   8.026   8.943
  2        0.514   0.028   0.000   0.542
  3        0.514   0.028   0.000   0.542
  4        0.864   1.783   0.000   2.647
  5        0.864   1.783   0.000   2.646
  6        0.864   1.782   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   1.783   0.000   2.647
 10        0.864   1.784   0.000   2.647
 11        0.863   1.783   0.000   2.646
 12        0.864   1.784   0.000   2.648
 13        0.864   1.783   0.000   2.646
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.863   1.777   0.000   2.640
 17        0.856   1.772   0.000   2.628
 18        0.864   1.784   0.000   2.648
 19        0.864   1.782   0.000   2.646
 20        0.864   1.782   0.000   2.645
 21        0.863   1.781   0.000   2.644
 22        0.863   1.776   0.000   2.639
 23        0.863   1.783   0.000   2.646
 24        0.864   1.783   0.000   2.646
 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   1.783   0.000   2.647
 29        0.864   1.783   0.000   2.646
 30        0.864   1.783   0.000   2.647
 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   1.782   0.000   2.646
 35        0.863   1.783   0.000   2.646
 36        0.863   1.776   0.000   2.639
 37        0.863   1.781   0.000   2.644
 38        0.864   1.782   0.000   2.645
 39        0.864   1.784   0.000   2.648
 40        0.864   1.784   0.000   2.648
 41        0.856   1.772   0.000   2.628
 42        0.863   1.777   0.000   2.640
 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   2.646
 46        0.864   1.784   0.000   2.648
 47        0.863   1.783   0.000   2.646
 48        0.864   1.784   0.000   2.647
 49        0.864   1.783   0.000   2.647
 50        0.864   1.783   0.000   2.647
 51        0.864   1.784   0.000   2.648
 52        0.864   1.782   0.000   2.646
 53        0.864   1.783   0.000   2.646
------------------------------------------------
tot       44.831  89.435   8.026 142.292
 


 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  115.24: CPU time   58.21
    FORLOC:  VPU time    1.25: CPU time    1.25
    FORNL :  VPU time  443.44: CPU time  222.18
    STRESS:  VPU time 1376.81: CPU time  692.65
    FORCOR:  VPU time    8.83: CPU time    8.83
    FORHAR:  VPU time    2.36: CPU time    2.36
    MIXING:  VPU time    0.22: CPU time    0.22


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.640995 eV

  energy  without entropy=     -471.640995  energy(sigma->0) =     -471.640995
 

  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    40737.50  40743.37 -47433.47      5.09      0.00      0.00
  Hartree  40198.80  40200.87 -39452.36      1.78      0.00      0.00
  E(xc)     -779.75   -779.58   -807.28      0.14      0.00      0.00
  Local   -83228.47 -83232.34  84203.17     -3.36      0.00      0.00
  n-local   -215.87   -215.57   -203.77      0.01      0.00      0.00
  augment     22.10     20.55     17.35     -1.34      0.00      0.00
  Kinetic   3168.93   3171.20   3581.97     -6.55      0.00      0.00
  -------------------------------------------------------------------------------------
  Total        0.97     -1.37     -0.47     -2.03      0.00      0.00
  in kB        0.59     -0.83     -0.28     -1.23      0.00      0.00
  external pressure =       -0.17 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
    12.342739197  0.010018168  0.000000000     0.080981415  0.046667110  0.000000000
    -6.162700253 10.694130838  0.000000000    -0.000075863  0.093465518  0.000000000
     0.000000000  0.000000000 19.976749942     0.000000000  0.000000000  0.050058193

  length of vectors
    12.342743263 12.342743163 19.976749942     0.093465548  0.093465549  0.050058193


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.189E-05 -.470E-04 -.961E+03   0.438E-05 -.275E-04 0.968E+03   0.847E-21 0.169E-20 -.784E+01   -.291E-08 -.529E-08 -.969E-02
   -.175E+02 -.303E+02 -.136E+03   0.183E+02 0.318E+02 0.139E+03   -.827E+00 -.143E+01 -.258E+01   0.486E-03 0.842E-03 0.849E-03
   0.175E+02 0.303E+02 -.136E+03   -.183E+02 -.318E+02 0.139E+03   0.827E+00 0.143E+01 -.258E+01   -.486E-03 -.842E-03 0.849E-03
   -.148E+01 0.857E+00 0.168E+02   0.144E+01 -.830E+00 -.168E+02   -.381E-01 0.220E-01 -.671E-02   -.104E-02 0.598E-03 -.501E-03
   0.629E+01 0.659E+01 0.195E+02   -.635E+01 -.660E+01 -.195E+02   -.223E-01 0.501E-01 -.204E-01   0.569E-04 0.606E-02 -.115E-02
   0.117E+02 0.483E+01 0.183E+02   -.118E+02 -.481E+01 -.182E+02   -.146E-02 0.233E-01 -.552E-01   0.745E-03 0.255E-02 -.628E-03
   0.501E+01 -.128E+01 0.164E+02   -.508E+01 0.132E+01 -.164E+02   -.704E-02 -.376E-02 -.328E-02   -.167E-02 -.176E-03 -.344E-03
   -.243E+01 -.271E+01 0.148E+02   0.240E+01 0.276E+01 -.148E+02   -.416E-01 0.122E-02 -.270E-02   -.354E-02 -.108E-02 -.228E-03
   0.113E+01 0.346E+01 0.148E+02   -.119E+01 -.346E+01 -.148E+02   -.219E-01 0.354E-01 -.270E-02   -.836E-03 0.361E-02 -.230E-03
   0.323E+01 0.180E+02 0.245E+02   -.329E+01 -.181E+02 -.245E+02   -.194E-01 0.120E+00 -.128E-01   0.126E-02 0.486E-02 -.130E-02
   0.219E+02 0.223E+02 0.400E+02   -.220E+02 -.225E+02 -.400E+02   0.907E-01 0.245E+00 -.137E-01   0.106E-03 0.298E-02 -.206E-02
   0.270E+02 -.480E+01 0.272E+02   -.273E+02 0.495E+01 -.271E+02   0.208E+00 -.102E+00 -.561E-01   0.124E-02 0.372E-03 -.213E-02
   0.973E+01 -.562E+01 0.155E+02   -.981E+01 0.566E+01 -.155E+02   -.122E-01 0.704E-02 0.219E-02   -.385E-03 0.219E-03 -.279E-03
   0.361E+01 -.370E+01 0.164E+02   -.369E+01 0.374E+01 -.164E+02   -.263E-03 0.798E-02 -.328E-02   -.684E-03 0.153E-02 -.350E-03
   -.559E+01 0.129E+02 0.201E+02   0.555E+01 -.130E+02 -.201E+02   -.310E-01 0.904E-01 -.704E-02   -.390E-02 0.105E-02 -.893E-03
   -.118E+02 0.332E+02 0.463E+02   0.118E+02 -.339E+02 -.466E+02   -.118E+00 0.696E+00 0.356E+00   -.416E-02 0.419E-02 -.227E-02
   0.269E+02 -.155E+02 0.695E+02   -.279E+02 0.161E+02 -.716E+02   0.953E+00 -.550E+00 0.210E+01   -.277E-03 0.158E-03 -.515E-02
   0.177E+02 -.210E+02 0.272E+02   -.179E+02 0.212E+02 -.271E+02   0.192E+00 -.129E+00 -.561E-01   0.294E-03 -.126E-02 -.213E-02
   0.167E+01 -.126E+02 0.183E+02   -.172E+01 0.126E+02 -.182E+02   -.209E-01 -.104E-01 -.552E-01   -.184E-02 -.192E-02 -.631E-03
   -.344E+01 0.126E+01 0.144E+02   0.340E+01 -.123E+01 -.143E+02   -.328E-01 0.206E-01 -.399E-01   -.290E-02 -.788E-03 -.191E-03
   -.177E+02 0.102E+02 0.210E+02   0.177E+02 -.102E+02 -.209E+02   -.937E-01 0.541E-01 -.130E+00   -.550E-02 0.318E-02 -.177E-02
   -.347E+02 -.644E+01 0.463E+02   0.353E+02 0.673E+01 -.466E+02   -.662E+00 -.246E+00 0.356E+00   -.571E-02 0.151E-02 -.226E-02
   -.842E+01 -.301E+02 0.400E+02   0.850E+01 0.303E+02 -.400E+02   -.167E+00 -.201E+00 -.137E-01   -.253E-02 -.158E-02 -.207E-02
   -.256E+01 -.875E+01 0.195E+02   0.254E+01 0.880E+01 -.195E+02   -.545E-01 -.575E-02 -.204E-01   -.522E-02 -.308E-02 -.115E-02
   0.174E+01 -.100E+01 0.146E+02   -.179E+01 0.103E+01 -.146E+02   -.296E-01 0.171E-01 -.312E-01   -.398E-02 0.230E-02 -.338E-03
   -.281E+01 0.235E+01 0.144E+02   0.276E+01 -.233E+01 -.143E+02   -.343E-01 0.181E-01 -.399E-01   -.767E-03 0.291E-02 -.188E-03
   -.140E+02 -.162E+01 0.201E+02   0.140E+02 0.168E+01 -.201E+02   -.938E-01 -.184E-01 -.704E-02   -.286E-02 0.285E-02 -.888E-03
   -.140E+02 -.118E+02 0.245E+02   0.140E+02 0.119E+02 -.245E+02   -.114E+00 -.435E-01 -.128E-01   -.358E-02 -.352E-02 -.130E-02
   0.256E+01 0.875E+01 0.195E+02   -.254E+01 -.880E+01 -.195E+02   0.545E-01 0.575E-02 -.204E-01   0.522E-02 0.308E-02 -.115E-02
   0.140E+02 0.118E+02 0.245E+02   -.140E+02 -.119E+02 -.245E+02   0.114E+00 0.435E-01 -.128E-01   0.358E-02 0.352E-02 -.130E-02
   0.140E+02 0.162E+01 0.201E+02   -.140E+02 -.168E+01 -.201E+02   0.938E-01 0.184E-01 -.704E-02   0.286E-02 -.285E-02 -.888E-03
   0.281E+01 -.235E+01 0.144E+02   -.276E+01 0.233E+01 -.143E+02   0.343E-01 -.181E-01 -.399E-01   0.767E-03 -.291E-02 -.188E-03
   -.174E+01 0.100E+01 0.146E+02   0.179E+01 -.103E+01 -.146E+02   0.296E-01 -.171E-01 -.312E-01   0.398E-02 -.230E-02 -.338E-03
   -.167E+01 0.126E+02 0.183E+02   0.172E+01 -.126E+02 -.182E+02   0.209E-01 0.104E-01 -.552E-01   0.184E-02 0.192E-02 -.631E-03
   0.842E+01 0.301E+02 0.400E+02   -.850E+01 -.303E+02 -.400E+02   0.167E+00 0.201E+00 -.137E-01   0.253E-02 0.158E-02 -.207E-02
   0.347E+02 0.644E+01 0.463E+02   -.353E+02 -.673E+01 -.466E+02   0.662E+00 0.246E+00 0.356E+00   0.571E-02 -.151E-02 -.226E-02
   0.177E+02 -.102E+02 0.210E+02   -.177E+02 0.102E+02 -.209E+02   0.937E-01 -.541E-01 -.130E+00   0.550E-02 -.318E-02 -.177E-02
   0.344E+01 -.126E+01 0.144E+02   -.340E+01 0.123E+01 -.143E+02   0.328E-01 -.206E-01 -.399E-01   0.290E-02 0.788E-03 -.191E-03
   -.361E+01 0.370E+01 0.164E+02   0.369E+01 -.374E+01 -.164E+02   0.263E-03 -.798E-02 -.328E-02   0.684E-03 -.153E-02 -.350E-03
   -.177E+02 0.210E+02 0.272E+02   0.179E+02 -.212E+02 -.271E+02   -.192E+00 0.129E+00 -.561E-01   -.294E-03 0.126E-02 -.213E-02
   -.269E+02 0.155E+02 0.695E+02   0.279E+02 -.161E+02 -.716E+02   -.953E+00 0.550E+00 0.210E+01   0.277E-03 -.158E-03 -.515E-02
   0.118E+02 -.332E+02 0.463E+02   -.118E+02 0.339E+02 -.466E+02   0.118E+00 -.696E+00 0.356E+00   0.416E-02 -.419E-02 -.227E-02
   0.559E+01 -.129E+02 0.201E+02   -.555E+01 0.130E+02 -.201E+02   0.310E-01 -.904E-01 -.704E-02   0.390E-02 -.105E-02 -.893E-03
   -.113E+01 -.346E+01 0.148E+02   0.119E+01 0.346E+01 -.148E+02   0.219E-01 -.354E-01 -.270E-02   0.836E-03 -.361E-02 -.230E-03
   -.973E+01 0.562E+01 0.155E+02   0.981E+01 -.566E+01 -.155E+02   0.122E-01 -.704E-02 0.219E-02   0.385E-03 -.219E-03 -.279E-03
   -.270E+02 0.480E+01 0.272E+02   0.273E+02 -.495E+01 -.271E+02   -.208E+00 0.102E+00 -.561E-01   -.124E-02 -.372E-03 -.213E-02
   -.219E+02 -.223E+02 0.400E+02   0.220E+02 0.225E+02 -.400E+02   -.907E-01 -.245E+00 -.137E-01   -.106E-03 -.298E-02 -.206E-02
   -.323E+01 -.180E+02 0.245E+02   0.329E+01 0.181E+02 -.245E+02   0.194E-01 -.120E+00 -.128E-01   -.126E-02 -.486E-02 -.130E-02
   0.148E+01 -.857E+00 0.168E+02   -.144E+01 0.830E+00 -.168E+02   0.381E-01 -.220E-01 -.671E-02   0.104E-02 -.598E-03 -.501E-03
   0.243E+01 0.271E+01 0.148E+02   -.240E+01 -.276E+01 -.148E+02   0.416E-01 -.122E-02 -.270E-02   0.354E-02 0.108E-02 -.228E-03
   -.501E+01 0.128E+01 0.164E+02   0.508E+01 -.132E+01 -.164E+02   0.704E-02 0.376E-02 -.328E-02   0.167E-02 0.176E-03 -.344E-03
   -.117E+02 -.483E+01 0.183E+02   0.118E+02 0.481E+01 -.182E+02   0.146E-02 -.233E-01 -.552E-01   -.745E-03 -.255E-02 -.628E-03
   -.629E+01 -.659E+01 0.195E+02   0.636E+01 0.660E+01 -.195E+02   0.223E-01 -.501E-01 -.204E-01   -.569E-04 -.606E-02 -.115E-02
 -----------------------------------------------------------------------------------------------
   -.174E-02 0.256E-03 0.859E+01   0.888E-13 0.250E-12 -.380E-12   0.153E-15 -.215E-15 -.854E+01   -.550E-07 0.180E-07 -.689E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85632      6.06435     12.33164         0.000000      0.000000      0.035833
      2.26376      6.77005     13.65162         0.001039      0.001799      0.002182
      1.44889      5.35865     13.65162        -0.001039     -0.001799      0.002182
     -6.16148     10.69343      9.95796        -0.085420      0.049317     -0.002989
     11.11009      2.14723      9.95979        -0.086195      0.052850     -0.003355
      9.87643      4.28688      9.97119        -0.079734      0.043605     -0.001290
      8.64502      6.42622      9.97010        -0.082191      0.041978     -0.000861
     -4.92793      8.55501      9.96603        -0.082385      0.049177     -0.002205
     -3.69278     10.69435      9.96603        -0.083781      0.046758     -0.002205
      1.23635      2.13751      9.97100        -0.084561      0.035967     -0.003753
     -0.00051      4.27603      9.99869        -0.074902      0.051237      0.005109
     -1.23303      6.41715     10.00477        -0.084012      0.052631      0.000320
     -2.45965      8.55618      9.97840        -0.090757      0.052399     -0.001395
      4.93729      0.00423      9.97010        -0.077449      0.050190     -0.000861
      3.70550      2.13941      9.97780        -0.077952      0.047014      0.002435
      2.47336      4.26591     10.04232        -0.085240      0.046031      0.006156
      1.23271      6.42439     10.11532        -0.069793      0.040295     -0.016824
      0.00611      8.56341     10.00477        -0.087586      0.046441      0.000320
      7.40571      0.00747      9.97119        -0.077630      0.047249     -0.001290
      6.17314      2.14459      9.97126        -0.079729      0.053789     -0.000453
      4.94214      4.28275      9.99933        -0.090268      0.052116     -0.001224
      3.72234      6.42920     10.04232        -0.082484      0.050805      0.006156
      2.47663      8.56658      9.99869        -0.081823      0.039248      0.005109
      9.87554      0.00892      9.95979        -0.088867      0.048222     -0.003355
      8.64154      2.14691      9.96252        -0.085369      0.049288     -0.001872
      7.40934      4.28576      9.97126        -0.086447      0.042153     -0.000453
      6.18000      6.42539      9.97780        -0.079692      0.044001      0.002435
      4.94708      8.56469      9.97100        -0.073429      0.055248     -0.003753
     -0.00019      1.42565      9.95979         0.088867     -0.048222     -0.003355
     -1.23443      3.56401      9.97100         0.073429     -0.055248     -0.003753
     -2.46736      5.70331      9.97780         0.079692     -0.044001      0.002435
     -3.69669      7.84294      9.97126         0.086447     -0.042153     -0.000453
     -4.92889      9.98179      9.96252         0.085369     -0.049288     -0.001872
      2.46963      1.42710      9.97119         0.077630     -0.047249     -0.001290
      1.23602      3.56212      9.99869         0.081823     -0.039248      0.005109
     -0.00969      5.69950     10.04232         0.082484     -0.050805      0.006156
     -1.22949      7.84594      9.99933         0.090268     -0.052116     -0.001224
     -2.46049      9.98410      9.97126         0.079729     -0.053789     -0.000453
      4.93806      1.43034      9.97010         0.077449     -0.050190     -0.000861
      3.70653      3.56529     10.00477         0.087586     -0.046441      0.000320
      2.47993      5.70431     10.11532         0.069793     -0.040295     -0.016824
      1.23929      7.86279     10.04232         0.085240     -0.046031      0.006156
      0.00715      9.98928      9.97780         0.077952     -0.047014      0.002435
      7.40543      1.43435      9.96603         0.083781     -0.046758     -0.002205
      6.17230      3.57252      9.97840         0.090757     -0.052399     -0.001395
      4.94568      5.71155     10.00477         0.084012     -0.052631      0.000320
      3.71316      7.85266      9.99869         0.074902     -0.051237      0.005109
      2.47630      9.99119      9.97100         0.084561     -0.035967     -0.003753
      9.87413      1.43527      9.95796         0.085420     -0.049317     -0.002989
      8.64058      3.57369      9.96603         0.082385     -0.049177     -0.002205
      7.41036      5.71250      9.97010         0.082191     -0.041978     -0.000861
      6.17895      7.85183      9.97119         0.079734     -0.043605     -0.001290
      4.94529      9.99149      9.95979         0.086195     -0.052850     -0.003355
 -----------------------------------------------------------------------------------
    total drift:                               -0.001737      0.000256     -0.020254


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




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


    WAVPRE:  VPU time    2.06: CPU time    2.05
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.36: CPU time    1.36
    ORTHCH:  VPU time  189.28: CPU time   94.76
     LOOP+:  VPU time13021.85: CPU time 6715.18


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


    POTLOK:  VPU time    9.19: CPU time    9.19
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1839.02: CPU time  949.25
 BZINTS: Fermi energy: -3.151938;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  116.25: CPU time   58.65
    MIXING:  VPU time    0.17: CPU time    0.17
    ------------------------------------------
      LOOP:  VPU time 1965.02: CPU time 1017.64

 eigenvalue-minimisations  :  6128
 total energy-change (2. order) :-0.4716041E+03  (-0.4314543E+00)
 number of electron  212.0000028 magnetization    0.0000000
 augmentation part     7.9601272 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.70461E-01    rms(broyden)= 0.70423E-01
  rms(prec ) = 0.75380E-01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34031.64272560
  -1/2 Hartree   DENC   =    -40933.00412645
  -V(xc)+E(xc)   XCENC  =       726.61399035
  PAW double counting   =      4092.95072905    -4131.34504850
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2463.90219014
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.60406648 eV

  energy without entropy =     -471.60406648  energy(sigma->0) =     -471.60406648


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




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


    POTLOK:  VPU time    9.19: CPU time    9.19
    SETDIJ:  VPU time    0.35: CPU time    0.35
    EDDAV :  VPU time 1991.98: CPU time 1025.58
 BZINTS: Fermi energy: -3.156881;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  116.29: CPU time   58.71
    MIXING:  VPU time    0.18: CPU time    0.18
    ------------------------------------------
      LOOP:  VPU time 2118.05: CPU time 1094.04

 eigenvalue-minimisations  :  6768
 total energy-change (2. order) : 0.1752678E-02  (-0.1240369E-01)
 number of electron  212.0000028 magnetization    0.0000000
 augmentation part     7.9593693 magnetization    0.0000001

 Broyden mixing:
  rms(total) = 0.49940E-01    rms(broyden)= 0.49937E-01
  rms(prec ) = 0.53076E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.4540
  2.4540

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34031.64272560
  -1/2 Hartree   DENC   =    -40932.65351019
  -V(xc)+E(xc)   XCENC  =       726.60513417
  PAW double counting   =      4092.95070478    -4131.33770998
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2464.24951179
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.60231380 eV

  energy without entropy =     -471.60231380  energy(sigma->0) =     -471.60231380


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




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


    POTLOK:  VPU time    9.18: CPU time    9.18
    SETDIJ:  VPU time    0.35: CPU time    0.34
    EDDAV :  VPU time 1863.49: CPU time  960.03
 BZINTS: Fermi energy: -3.153982;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  115.04: CPU time   58.14
    MIXING:  VPU time    0.19: CPU time    0.19
    ------------------------------------------
      LOOP:  VPU time 1988.31: CPU time 1027.92

 eigenvalue-minimisations  :  6176
 total energy-change (2. order) : 0.7541204E-02  (-0.2725053E-02)
 number of electron  212.0000028 magnetization    0.0000000
 augmentation part     7.9595089 magnetization   -0.0000001

 Broyden mixing:
  rms(total) = 0.87890E-02    rms(broyden)= 0.87859E-02
  rms(prec ) = 0.95163E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5737
  2.0210  1.1264

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34031.64272560
  -1/2 Hartree   DENC   =    -40931.92218267
  -V(xc)+E(xc)   XCENC  =       726.58650062
  PAW double counting   =      4092.62343602    -4131.00227125
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2464.96283452
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.59477260 eV

  energy without entropy =     -471.59477260  energy(sigma->0) =     -471.59477260


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




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


    POTLOK:  VPU time    9.02: CPU time    9.02
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1936.53: CPU time 1001.91
 BZINTS: Fermi energy: -3.154416;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  115.09: CPU time   58.13
    MIXING:  VPU time    0.20: CPU time    0.20
    ------------------------------------------
      LOOP:  VPU time 2061.24: CPU time 1069.64

 eigenvalue-minimisations  :  6616
 total energy-change (2. order) : 0.1289807E-05  (-0.4088522E-03)
 number of electron  212.0000028 magnetization    0.0000000
 augmentation part     7.9595055 magnetization   -0.0000001

 Broyden mixing:
  rms(total) = 0.29203E-02    rms(broyden)= 0.29202E-02
  rms(prec ) = 0.30660E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8136
  1.2527  1.6240  2.5641

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34031.64272560
  -1/2 Hartree   DENC   =    -40931.97739542
  -V(xc)+E(xc)   XCENC  =       726.58883247
  PAW double counting   =      4092.73928683    -4131.11996107
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2464.90811333
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.59477131 eV

  energy without entropy =     -471.59477131  energy(sigma->0) =     -471.59477131


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




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


    POTLOK:  VPU time    9.09: CPU time    9.10
    SETDIJ:  VPU time    0.35: CPU time    0.34
    EDDAV :  VPU time 1433.79: CPU time  740.76
 BZINTS: Fermi energy: -3.152279;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1443.31: CPU time  750.23

 eigenvalue-minimisations  :  4192
 total energy-change (2. order) :-0.5736467E-05  (-0.7668338E-05)
 number of electron  212.0000028 magnetization    0.0000000
 augmentation part     7.9595055 magnetization   -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34031.64272560
  -1/2 Hartree   DENC   =    -40931.84397993
  -V(xc)+E(xc)   XCENC  =       726.58770613
  PAW double counting   =      4092.76921196    -4131.15130147
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.03899294
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.59477704 eV

  energy without entropy =     -471.59477704  energy(sigma->0) =     -471.59477704


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




 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 -58.5376       2 -39.9910       3 -39.9910       4 -58.2445       5 -58.2491
       6 -58.2563       7 -58.2469       8 -58.2451       9 -58.2451      10 -58.2612
      11 -58.3164      12 -58.2927      13 -58.2501      14 -58.2469      15 -58.2579
      16 -58.4383      17 -58.7314      18 -58.2927      19 -58.2563      20 -58.2504
      21 -58.2773      22 -58.4383      23 -58.3165      24 -58.2491      25 -58.2439
      26 -58.2504      27 -58.2579      28 -58.2612      29 -58.2490      30 -58.2611
      31 -58.2578      32 -58.2503      33 -58.2438      34 -58.2562      35 -58.3163
      36 -58.4383      37 -58.2772      38 -58.2503      39 -58.2468      40 -58.2926
      41 -58.7313      42 -58.4383      43 -58.2578      44 -58.2450      45 -58.2500
      46 -58.2926      47 -58.3164      48 -58.2611      49 -58.2444      50 -58.2450
      51 -58.2468      52 -58.2562      53 -58.2490
 
 
 
 E-fermi :  -3.1523     XC(G=0):  -2.3504     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     -22.3541      1.00000
      2     -21.5347      1.00000
      3     -21.4054      1.00000
      4     -21.4032      1.00000
      5     -21.3715      1.00000
      6     -21.3646      1.00000
      7     -21.3569      1.00000
      8     -19.6436      1.00000
      9     -19.5738      1.00000
     10     -19.5598      1.00000
     11     -19.5596      1.00000
     12     -19.5401      1.00000
     13     -19.5327      1.00000
     14     -18.7244      1.00000
     15     -18.6894      1.00000
     16     -18.6656      1.00000
     17     -18.6524      1.00000
     18     -18.6471      1.00000
     19     -18.6367      1.00000
     20     -16.5796      1.00000
     21     -16.5629      1.00000
     22     -16.5559      1.00000
     23     -16.4793      1.00000
     24     -16.4774      1.00000
     25     -16.4616      1.00000
     26     -15.5628      1.00000
     27     -15.5618      1.00000
     28     -15.5388      1.00000
     29     -15.5349      1.00000
     30     -15.4712      1.00000
     31     -15.4148      1.00000
     32     -14.2059      1.00000
     33     -14.1873      1.00000
     34     -14.1785      1.00000
     35     -14.1775      1.00000
     36     -14.1358      1.00000
     37     -14.1354      1.00000
     38     -11.8633      1.00000
     39     -11.8630      1.00000
     40     -11.8550      1.00000
     41     -11.7700      1.00000
     42     -11.7622      1.00000
     43     -11.7525      1.00000
     44     -11.7056      1.00000
     45     -11.6890      1.00000
     46     -11.6706      1.00000
     47     -11.6593      1.00000
     48     -11.6516      1.00000
     49     -11.6346      1.00000
     50     -10.6667      1.00000
     51     -10.3571      1.00000
     52     -10.3424      1.00000
     53     -10.3329      1.00000
     54     -10.3286      1.00000
     55     -10.2454      1.00000
     56     -10.2250      1.00000
     57      -9.9181      1.00000
     58      -9.3758      1.00000
     59      -9.3555      1.00000
     60      -9.2951      1.00000
     61      -9.2940      1.00000
     62      -9.2833      1.00000
     63      -9.0793      1.00000
     64      -9.0789      1.00000
     65      -9.0617      1.00000
     66      -9.0293      1.00000
     67      -9.0235      1.00000
     68      -9.0132      1.00000
     69      -8.9999      1.00000
     70      -8.9970      1.00000
     71      -8.9854      1.00000
     72      -8.9829      1.00000
     73      -8.9328      1.00000
     74      -8.9288      1.00000
     75      -8.5018      1.00000
     76      -7.5342      1.00000
     77      -7.4517      1.00000
     78      -7.4130      1.00000
     79      -7.3849      1.00000
     80      -7.3818      1.00000
     81      -7.3250      1.00000
     82      -7.3232      1.00000
     83      -7.3156      1.00000
     84      -7.2617      1.00000
     85      -7.2152      1.00000
     86      -7.1812      1.00000
     87      -7.1742      1.00000
     88      -7.0684      1.00000
     89      -6.5402      1.00000
     90      -6.4456      1.00000
     91      -6.3360      1.00000
     92      -6.3234      1.00000
     93      -6.2724      1.00000
     94      -6.2724      1.00000
     95      -5.9917      1.00000
     96      -5.7881      1.00000
     97      -5.0751      1.00000
     98      -4.9190      1.00000
     99      -4.5485      1.00000
    100      -4.3517      1.00000
    101      -4.3011      1.00000
    102      -4.2997      1.00000
    103      -4.0961      1.00000
    104      -3.9282      1.00000
    105      -3.9053      1.00000
    106      -3.8302      1.00000
    107      -1.7180      0.00000
    108      -1.6237      0.00000
    109      -1.5819      0.00000
    110      -1.5605      0.00000
    111      -1.5138      0.00000
    112      -1.4489      0.00000
    113      -0.5840      0.00000
    114       0.1658      0.00000
    115       0.1844      0.00000
    116       0.2996      0.00000
    117       0.3200      0.00000
    118       0.3779      0.00000
    119       0.4744      0.00000
    120       0.6084      0.00000
    121       1.2601      0.00000
    122       1.2898      0.00000
    123       1.5454      0.00000
    124       1.7487      0.00000
    125       1.8098      0.00000
    126       1.8176      0.00000
    127       1.8182      0.00000
    128       1.9331      0.00000
    129       1.9914      0.00000
    130       1.9951      0.00000
    131       2.0385      0.00000
    132       2.0676      0.00000
    133       2.0752      0.00000
    134       2.0817      0.00000
    135       2.3264      0.00000
    136       2.3308      0.00000
    137       2.6319      0.00000
    138       2.6439      0.00000
    139       2.6643      0.00000
    140       2.7230      0.00000
    141       2.8976      0.00000
    142       3.0017      0.00000
    143       3.0073      0.00000
    144       3.0118      0.00000
    145       3.0136      0.00000
    146       3.0261      0.00000
    147       3.0804      0.00000
    148       3.2460      0.00000
    149       3.4256      0.00000
    150       3.5473      0.00000
    151       3.8041      0.00000
    152       3.9341      0.00000
    153       3.9390      0.00000
    154       3.9517      0.00000
    155       3.9549      0.00000
    156       4.0167      0.00000
    157       4.1825      0.00000
    158       4.2562      0.00000
    159       4.2889      0.00000
    160       4.2931      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3175      1.00000
      2     -21.7587      1.00000
      3     -21.5692      1.00000
      4     -21.5360      1.00000
      5     -21.2061      1.00000
      6     -21.1608      1.00000
      7     -20.9840      1.00000
      8     -20.0992      1.00000
      9     -20.0546      1.00000
     10     -19.5474      1.00000
     11     -19.5231      1.00000
     12     -19.3438      1.00000
     13     -19.0216      1.00000
     14     -18.9940      1.00000
     15     -18.9781      1.00000
     16     -18.9663      1.00000
     17     -18.3027      1.00000
     18     -18.2762      1.00000
     19     -17.9414      1.00000
     20     -16.9991      1.00000
     21     -16.9467      1.00000
     22     -16.9075      1.00000
     23     -16.8509      1.00000
     24     -16.4364      1.00000
     25     -16.3906      1.00000
     26     -15.5726      1.00000
     27     -15.4894      1.00000
     28     -15.1956      1.00000
     29     -15.1303      1.00000
     30     -15.1210      1.00000
     31     -15.0507      1.00000
     32     -15.0200      1.00000
     33     -14.6464      1.00000
     34     -14.5999      1.00000
     35     -13.6688      1.00000
     36     -13.6311      1.00000
     37     -13.1821      1.00000
     38     -12.5918      1.00000
     39     -12.5164      1.00000
     40     -12.4083      1.00000
     41     -12.3760      1.00000
     42     -12.0342      1.00000
     43     -12.0011      1.00000
     44     -11.6463      1.00000
     45     -11.6006      1.00000
     46     -11.2281      1.00000
     47     -11.1392      1.00000
     48     -10.9738      1.00000
     49     -10.9361      1.00000
     50     -10.8693      1.00000
     51     -10.8063      1.00000
     52     -10.5929      1.00000
     53     -10.1266      1.00000
     54     -10.1077      1.00000
     55     -10.0596      1.00000
     56      -9.9786      1.00000
     57      -9.6730      1.00000
     58      -9.6278      1.00000
     59      -9.5579      1.00000
     60      -9.5424      1.00000
     61      -9.4966      1.00000
     62      -9.4593      1.00000
     63      -9.2725      1.00000
     64      -9.2494      1.00000
     65      -9.2095      1.00000
     66      -9.1529      1.00000
     67      -9.0799      1.00000
     68      -9.0617      1.00000
     69      -9.0300      1.00000
     70      -8.8778      1.00000
     71      -8.7891      1.00000
     72      -8.5663      1.00000
     73      -8.5175      1.00000
     74      -8.4333      1.00000
     75      -8.0716      1.00000
     76      -7.8212      1.00000
     77      -7.8037      1.00000
     78      -7.7701      1.00000
     79      -7.7332      1.00000
     80      -7.6485      1.00000
     81      -7.3842      1.00000
     82      -7.3117      1.00000
     83      -7.2538      1.00000
     84      -7.2317      1.00000
     85      -7.1823      1.00000
     86      -6.9959      1.00000
     87      -6.9056      1.00000
     88      -6.7647      1.00000
     89      -6.6716      1.00000
     90      -6.5945      1.00000
     91      -6.5439      1.00000
     92      -6.1383      1.00000
     93      -6.0896      1.00000
     94      -5.9846      1.00000
     95      -5.8807      1.00000
     96      -5.7097      1.00000
     97      -5.1827      1.00000
     98      -4.9741      1.00000
     99      -4.6896      1.00000
    100      -4.6129      1.00000
    101      -4.4550      1.00000
    102      -4.3629      1.00000
    103      -4.1205      1.00000
    104      -3.8691      1.00000
    105      -3.8298      1.00000
    106      -3.8150      1.00000
    107      -1.7769      0.00000
    108      -1.6931      0.00000
    109      -1.4288      0.00000
    110      -1.3124      0.00000
    111      -1.2946      0.00000
    112      -1.2241      0.00000
    113      -0.7653      0.00000
    114      -0.4026      0.00000
    115      -0.1626      0.00000
    116      -0.0407      0.00000
    117       0.6079      0.00000
    118       0.7376      0.00000
    119       0.7849      0.00000
    120       1.0370      0.00000
    121       1.1300      0.00000
    122       1.2367      0.00000
    123       1.2818      0.00000
    124       1.4172      0.00000
    125       1.4830      0.00000
    126       1.6055      0.00000
    127       1.7387      0.00000
    128       1.8402      0.00000
    129       1.9111      0.00000
    130       1.9719      0.00000
    131       2.1077      0.00000
    132       2.2550      0.00000
    133       2.2566      0.00000
    134       2.3116      0.00000
    135       2.4996      0.00000
    136       2.5829      0.00000
    137       2.6508      0.00000
    138       2.7626      0.00000
    139       2.7779      0.00000
    140       2.8042      0.00000
    141       2.8427      0.00000
    142       2.8900      0.00000
    143       2.9449      0.00000
    144       3.1006      0.00000
    145       3.2837      0.00000
    146       3.2868      0.00000
    147       3.3408      0.00000
    148       3.3700      0.00000
    149       3.4753      0.00000
    150       3.5560      0.00000
    151       3.6135      0.00000
    152       3.6800      0.00000
    153       3.7115      0.00000
    154       3.9096      0.00000
    155       3.9322      0.00000
    156       3.9852      0.00000
    157       4.0700      0.00000
    158       4.1972      0.00000
    159       4.2498      0.00000
    160       4.2992      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2117      1.00000
      2     -22.0055      1.00000
      3     -21.6480      1.00000
      4     -21.6105      1.00000
      5     -20.9112      1.00000
      6     -20.8643      1.00000
      7     -20.5434      1.00000
      8     -20.5023      1.00000
      9     -20.4939      1.00000
     10     -19.9593      1.00000
     11     -19.4433      1.00000
     12     -19.4169      1.00000
     13     -19.2440      1.00000
     14     -19.2280      1.00000
     15     -18.3797      1.00000
     16     -18.3341      1.00000
     17     -17.8674      1.00000
     18     -17.8360      1.00000
     19     -17.6920      1.00000
     20     -17.6468      1.00000
     21     -17.3884      1.00000
     22     -17.3476      1.00000
     23     -17.2527      1.00000
     24     -16.4183      1.00000
     25     -16.3996      1.00000
     26     -15.9224      1.00000
     27     -15.3671      1.00000
     28     -15.3060      1.00000
     29     -15.0454      1.00000
     30     -14.9958      1.00000
     31     -14.7744      1.00000
     32     -14.7342      1.00000
     33     -14.2488      1.00000
     34     -14.1982      1.00000
     35     -13.4039      1.00000
     36     -13.3402      1.00000
     37     -13.1166      1.00000
     38     -13.0801      1.00000
     39     -12.9353      1.00000
     40     -12.9136      1.00000
     41     -12.5468      1.00000
     42     -12.5122      1.00000
     43     -12.1475      1.00000
     44     -11.5104      1.00000
     45     -11.4540      1.00000
     46     -11.2446      1.00000
     47     -11.1939      1.00000
     48     -11.0943      1.00000
     49     -10.6702      1.00000
     50     -10.6110      1.00000
     51     -10.5047      1.00000
     52     -10.2789      1.00000
     53     -10.2329      1.00000
     54     -10.1190      1.00000
     55     -10.0931      1.00000
     56     -10.0039      1.00000
     57      -9.7686      1.00000
     58      -9.7329      1.00000
     59      -9.6758      1.00000
     60      -9.6535      1.00000
     61      -9.6202      1.00000
     62      -9.5884      1.00000
     63      -9.3195      1.00000
     64      -9.2840      1.00000
     65      -9.2413      1.00000
     66      -9.0823      1.00000
     67      -8.9445      1.00000
     68      -8.8186      1.00000
     69      -8.7252      1.00000
     70      -8.5863      1.00000
     71      -8.4950      1.00000
     72      -8.3307      1.00000
     73      -8.3044      1.00000
     74      -8.2747      1.00000
     75      -8.2096      1.00000
     76      -8.1743      1.00000
     77      -8.1469      1.00000
     78      -8.1317      1.00000
     79      -8.0970      1.00000
     80      -7.6791      1.00000
     81      -7.3917      1.00000
     82      -7.3286      1.00000
     83      -7.2976      1.00000
     84      -7.2283      1.00000
     85      -7.1508      1.00000
     86      -7.0795      1.00000
     87      -6.9283      1.00000
     88      -6.8802      1.00000
     89      -6.5575      1.00000
     90      -6.4970      1.00000
     91      -6.1458      1.00000
     92      -6.0697      1.00000
     93      -5.9243      1.00000
     94      -5.7440      1.00000
     95      -5.6094      1.00000
     96      -5.4453      1.00000
     97      -5.3163      1.00000
     98      -5.1964      1.00000
     99      -5.1728      1.00000
    100      -5.1128      1.00000
    101      -4.5397      1.00000
    102      -4.4657      1.00000
    103      -4.1505      1.00000
    104      -3.8346      1.00000
    105      -3.7708      1.00000
    106      -3.6970      1.00000
    107      -1.8440      0.00000
    108      -1.7899      0.00000
    109      -1.3055      0.00000
    110      -1.0568      0.00000
    111      -0.9621      0.00000
    112      -0.7427      0.00000
    113      -0.6309      0.00000
    114      -0.5915      0.00000
    115      -0.5420      0.00000
    116      -0.2116      0.00000
    117       0.2182      0.00000
    118       0.2745      0.00000
    119       0.7720      0.00000
    120       0.9549      0.00000
    121       1.1567      0.00000
    122       1.2272      0.00000
    123       1.3240      0.00000
    124       1.4316      0.00000
    125       1.6200      0.00000
    126       1.6568      0.00000
    127       1.7178      0.00000
    128       1.8271      0.00000
    129       1.9323      0.00000
    130       2.0258      0.00000
    131       2.0599      0.00000
    132       2.2788      0.00000
    133       2.3866      0.00000
    134       2.4458      0.00000
    135       2.5549      0.00000
    136       2.6496      0.00000
    137       2.6988      0.00000
    138       2.7653      0.00000
    139       2.8394      0.00000
    140       2.8937      0.00000
    141       3.0513      0.00000
    142       3.1038      0.00000
    143       3.1978      0.00000
    144       3.2485      0.00000
    145       3.3860      0.00000
    146       3.4193      0.00000
    147       3.4918      0.00000
    148       3.5779      0.00000
    149       3.5985      0.00000
    150       3.6341      0.00000
    151       3.6383      0.00000
    152       3.7299      0.00000
    153       3.7459      0.00000
    154       3.7505      0.00000
    155       3.7954      0.00000
    156       3.8985      0.00000
    157       3.9803      0.00000
    158       4.0102      0.00000
    159       4.1825      0.00000
    160       4.2236      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2455      1.00000
      2     -21.8916      1.00000
      3     -21.8208      1.00000
      4     -21.3112      1.00000
      5     -21.2808      1.00000
      6     -20.7663      1.00000
      7     -20.7004      1.00000
      8     -20.5507      1.00000
      9     -20.0108      1.00000
     10     -20.0035      1.00000
     11     -19.6442      1.00000
     12     -19.6198      1.00000
     13     -18.9294      1.00000
     14     -18.9209      1.00000
     15     -18.5811      1.00000
     16     -18.5651      1.00000
     17     -18.3822      1.00000
     18     -17.5981      1.00000
     19     -17.5420      1.00000
     20     -17.5374      1.00000
     21     -17.4952      1.00000
     22     -17.0622      1.00000
     23     -17.0397      1.00000
     24     -16.9460      1.00000
     25     -15.9896      1.00000
     26     -15.7935      1.00000
     27     -15.5373      1.00000
     28     -15.5360      1.00000
     29     -15.1429      1.00000
     30     -14.8263      1.00000
     31     -14.7973      1.00000
     32     -14.5064      1.00000
     33     -14.4595      1.00000
     34     -14.0740      1.00000
     35     -14.0598      1.00000
     36     -13.1452      1.00000
     37     -13.0515      1.00000
     38     -12.9626      1.00000
     39     -12.9450      1.00000
     40     -12.6531      1.00000
     41     -12.6466      1.00000
     42     -12.2785      1.00000
     43     -12.2458      1.00000
     44     -11.5482      1.00000
     45     -11.5222      1.00000
     46     -11.4429      1.00000
     47     -10.8866      1.00000
     48     -10.8259      1.00000
     49     -10.6268      1.00000
     50     -10.5903      1.00000
     51     -10.5032      1.00000
     52     -10.4544      1.00000
     53     -10.4366      1.00000
     54     -10.4287      1.00000
     55     -10.3148      1.00000
     56     -10.0635      1.00000
     57      -9.8314      1.00000
     58      -9.5738      1.00000
     59      -9.5146      1.00000
     60      -9.4696      1.00000
     61      -9.3563      1.00000
     62      -9.3511      1.00000
     63      -9.3300      1.00000
     64      -9.3087      1.00000
     65      -9.2182      1.00000
     66      -9.0661      1.00000
     67      -9.0275      1.00000
     68      -8.9708      1.00000
     69      -8.8339      1.00000
     70      -8.7799      1.00000
     71      -8.7618      1.00000
     72      -8.5172      1.00000
     73      -8.4673      1.00000
     74      -8.2144      1.00000
     75      -8.0771      1.00000
     76      -8.0590      1.00000
     77      -7.8486      1.00000
     78      -7.8371      1.00000
     79      -7.8136      1.00000
     80      -7.6865      1.00000
     81      -7.6498      1.00000
     82      -7.6379      1.00000
     83      -7.3987      1.00000
     84      -7.3158      1.00000
     85      -7.1989      1.00000
     86      -6.8360      1.00000
     87      -6.8099      1.00000
     88      -6.6735      1.00000
     89      -6.5383      1.00000
     90      -6.4436      1.00000
     91      -6.3411      1.00000
     92      -6.2165      1.00000
     93      -6.0516      1.00000
     94      -5.9423      1.00000
     95      -5.5410      1.00000
     96      -5.3914      1.00000
     97      -5.2892      1.00000
     98      -5.2216      1.00000
     99      -5.1123      1.00000
    100      -4.7306      1.00000
    101      -4.6564      1.00000
    102      -4.3506      1.00000
    103      -4.3280      1.00000
    104      -3.9628      1.00000
    105      -3.8266      1.00000
    106      -3.4498      1.00000
    107      -2.1431      0.00000
    108      -1.3568      0.00000
    109      -1.2340      0.00000
    110      -1.1654      0.00000
    111      -1.0834      0.00000
    112      -0.9350      0.00000
    113      -0.8192      0.00000
    114      -0.8074      0.00000
    115      -0.2265      0.00000
    116       0.1588      0.00000
    117       0.2854      0.00000
    118       0.3267      0.00000
    119       0.7477      0.00000
    120       0.9116      0.00000
    121       0.9803      0.00000
    122       1.1002      0.00000
    123       1.2221      0.00000
    124       1.5353      0.00000
    125       1.5746      0.00000
    126       1.7296      0.00000
    127       1.8301      0.00000
    128       1.8526      0.00000
    129       1.9394      0.00000
    130       2.0160      0.00000
    131       2.1479      0.00000
    132       2.2964      0.00000
    133       2.3886      0.00000
    134       2.4709      0.00000
    135       2.4739      0.00000
    136       2.6922      0.00000
    137       2.7100      0.00000
    138       2.7469      0.00000
    139       2.7547      0.00000
    140       2.9021      0.00000
    141       3.0347      0.00000
    142       3.0899      0.00000
    143       3.1560      0.00000
    144       3.2013      0.00000
    145       3.2458      0.00000
    146       3.2811      0.00000
    147       3.3557      0.00000
    148       3.4862      0.00000
    149       3.5456      0.00000
    150       3.7114      0.00000
    151       3.7347      0.00000
    152       3.7400      0.00000
    153       3.8289      0.00000
    154       3.8895      0.00000
    155       3.9535      0.00000
    156       3.9621      0.00000
    157       4.0064      0.00000
    158       4.0308      0.00000
    159       4.0946      0.00000
    160       4.1880      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1394      1.00000
      2     -22.0446      1.00000
      3     -21.8849      1.00000
      4     -21.3335      1.00000
      5     -20.9793      1.00000
      6     -20.9409      1.00000
      7     -20.4314      1.00000
      8     -20.3889      1.00000
      9     -20.2228      1.00000
     10     -20.2013      1.00000
     11     -19.8893      1.00000
     12     -19.8222      1.00000
     13     -18.8172      1.00000
     14     -18.7467      1.00000
     15     -18.2836      1.00000
     16     -18.2303      1.00000
     17     -18.0900      1.00000
     18     -18.0620      1.00000
     19     -17.7569      1.00000
     20     -17.7129      1.00000
     21     -17.2145      1.00000
     22     -17.1637      1.00000
     23     -17.0753      1.00000
     24     -17.0673      1.00000
     25     -16.0710      1.00000
     26     -15.8341      1.00000
     27     -15.7986      1.00000
     28     -15.7517      1.00000
     29     -15.1381      1.00000
     30     -14.5009      1.00000
     31     -14.4410      1.00000
     32     -14.1837      1.00000
     33     -13.9242      1.00000
     34     -13.8912      1.00000
     35     -13.8010      1.00000
     36     -13.7281      1.00000
     37     -13.5406      1.00000
     38     -13.4834      1.00000
     39     -13.3063      1.00000
     40     -12.5876      1.00000
     41     -12.1138      1.00000
     42     -12.0476      1.00000
     43     -12.0050      1.00000
     44     -11.9203      1.00000
     45     -11.6268      1.00000
     46     -11.6036      1.00000
     47     -11.1056      1.00000
     48     -11.0324      1.00000
     49     -10.7413      1.00000
     50     -10.6497      1.00000
     51     -10.5189      1.00000
     52     -10.1710      1.00000
     53     -10.1184      1.00000
     54     -10.0941      1.00000
     55      -9.9730      1.00000
     56      -9.9481      1.00000
     57      -9.9199      1.00000
     58      -9.7683      1.00000
     59      -9.7529      1.00000
     60      -9.7214      1.00000
     61      -9.6564      1.00000
     62      -9.4253      1.00000
     63      -9.3530      1.00000
     64      -9.0836      1.00000
     65      -9.0367      1.00000
     66      -8.9734      1.00000
     67      -8.8534      1.00000
     68      -8.8066      1.00000
     69      -8.6833      1.00000
     70      -8.6219      1.00000
     71      -8.5592      1.00000
     72      -8.4661      1.00000
     73      -8.4536      1.00000
     74      -8.4305      1.00000
     75      -8.3154      1.00000
     76      -8.1865      1.00000
     77      -8.1106      1.00000
     78      -7.9693      1.00000
     79      -7.9116      1.00000
     80      -7.8884      1.00000
     81      -7.6274      1.00000
     82      -7.5339      1.00000
     83      -7.4331      1.00000
     84      -7.2573      1.00000
     85      -6.9943      1.00000
     86      -6.8982      1.00000
     87      -6.8493      1.00000
     88      -6.5875      1.00000
     89      -6.4532      1.00000
     90      -6.3628      1.00000
     91      -6.3413      1.00000
     92      -6.0500      1.00000
     93      -5.8729      1.00000
     94      -5.7635      1.00000
     95      -5.6928      1.00000
     96      -5.4907      1.00000
     97      -5.3338      1.00000
     98      -5.1999      1.00000
     99      -5.1349      1.00000
    100      -5.1178      1.00000
    101      -4.7289      1.00000
    102      -4.4369      1.00000
    103      -4.2661      1.00000
    104      -3.9962      1.00000
    105      -3.8257      1.00000
    106      -3.1817      1.00000
    107      -2.4314      0.00000
    108      -1.4059      0.00000
    109      -1.2003      0.00000
    110      -1.1809      0.00000
    111      -1.0569      0.00000
    112      -0.5704      0.00000
    113      -0.4867      0.00000
    114      -0.4218      0.00000
    115      -0.2691      0.00000
    116      -0.2085      0.00000
    117       0.0264      0.00000
    118       0.1075      0.00000
    119       0.5646      0.00000
    120       0.6997      0.00000
    121       0.8787      0.00000
    122       0.9814      0.00000
    123       1.1207      0.00000
    124       1.5060      0.00000
    125       1.6814      0.00000
    126       1.8241      0.00000
    127       1.8922      0.00000
    128       2.0685      0.00000
    129       2.1185      0.00000
    130       2.1590      0.00000
    131       2.2206      0.00000
    132       2.3271      0.00000
    133       2.3555      0.00000
    134       2.4866      0.00000
    135       2.5667      0.00000
    136       2.6852      0.00000
    137       2.8810      0.00000
    138       2.9218      0.00000
    139       2.9691      0.00000
    140       2.9982      0.00000
    141       3.0491      0.00000
    142       3.1343      0.00000
    143       3.1641      0.00000
    144       3.2463      0.00000
    145       3.2976      0.00000
    146       3.3315      0.00000
    147       3.3614      0.00000
    148       3.3843      0.00000
    149       3.4060      0.00000
    150       3.5036      0.00000
    151       3.5497      0.00000
    152       3.6089      0.00000
    153       3.6424      0.00000
    154       3.6908      0.00000
    155       3.7214      0.00000
    156       3.9228      0.00000
    157       3.9353      0.00000
    158       4.0748      0.00000
    159       4.1091      0.00000
    160       4.2112      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2456      1.00000
      2     -21.8929      1.00000
      3     -21.8196      1.00000
      4     -21.3133      1.00000
      5     -21.2747      1.00000
      6     -20.7704      1.00000
      7     -20.7020      1.00000
      8     -20.5544      1.00000
      9     -20.0190      1.00000
     10     -19.9867      1.00000
     11     -19.6499      1.00000
     12     -19.6184      1.00000
     13     -18.9417      1.00000
     14     -18.9058      1.00000
     15     -18.5776      1.00000
     16     -18.5397      1.00000
     17     -18.3961      1.00000
     18     -17.6009      1.00000
     19     -17.5944      1.00000
     20     -17.5422      1.00000
     21     -17.5134      1.00000
     22     -17.0752      1.00000
     23     -17.0211      1.00000
     24     -16.8721      1.00000
     25     -15.9159      1.00000
     26     -15.8856      1.00000
     27     -15.5364      1.00000
     28     -15.4777      1.00000
     29     -15.2495      1.00000
     30     -14.8022      1.00000
     31     -14.7368      1.00000
     32     -14.5387      1.00000
     33     -14.4447      1.00000
     34     -14.1138      1.00000
     35     -14.1012      1.00000
     36     -13.0751      1.00000
     37     -13.0175      1.00000
     38     -12.9823      1.00000
     39     -12.9219      1.00000
     40     -12.6634      1.00000
     41     -12.6100      1.00000
     42     -12.2877      1.00000
     43     -12.2239      1.00000
     44     -11.6053      1.00000
     45     -11.5587      1.00000
     46     -11.5316      1.00000
     47     -10.8926      1.00000
     48     -10.8730      1.00000
     49     -10.6756      1.00000
     50     -10.5293      1.00000
     51     -10.4917      1.00000
     52     -10.4601      1.00000
     53     -10.3770      1.00000
     54     -10.3332      1.00000
     55     -10.2747      1.00000
     56     -10.0582      1.00000
     57      -9.8305      1.00000
     58      -9.5482      1.00000
     59      -9.4684      1.00000
     60      -9.4361      1.00000
     61      -9.3776      1.00000
     62      -9.3276      1.00000
     63      -9.3120      1.00000
     64      -9.2559      1.00000
     65      -9.2055      1.00000
     66      -9.1452      1.00000
     67      -9.0943      1.00000
     68      -9.0709      1.00000
     69      -8.8479      1.00000
     70      -8.8290      1.00000
     71      -8.7572      1.00000
     72      -8.5343      1.00000
     73      -8.4976      1.00000
     74      -8.2328      1.00000
     75      -8.1672      1.00000
     76      -8.0856      1.00000
     77      -7.7931      1.00000
     78      -7.7598      1.00000
     79      -7.7193      1.00000
     80      -7.6939      1.00000
     81      -7.6700      1.00000
     82      -7.5657      1.00000
     83      -7.3893      1.00000
     84      -7.3556      1.00000
     85      -7.2168      1.00000
     86      -6.9009      1.00000
     87      -6.7605      1.00000
     88      -6.6529      1.00000
     89      -6.5109      1.00000
     90      -6.3361      1.00000
     91      -6.2549      1.00000
     92      -6.1829      1.00000
     93      -6.1350      1.00000
     94      -6.0347      1.00000
     95      -5.6730      1.00000
     96      -5.4898      1.00000
     97      -5.3275      1.00000
     98      -5.1685      1.00000
     99      -5.0154      1.00000
    100      -4.7541      1.00000
    101      -4.6557      1.00000
    102      -4.3458      1.00000
    103      -4.1969      1.00000
    104      -4.0096      1.00000
    105      -3.8254      1.00000
    106      -3.4486      1.00000
    107      -2.2027      0.00000
    108      -1.4147      0.00000
    109      -1.2401      0.00000
    110      -1.1867      0.00000
    111      -1.0422      0.00000
    112      -0.8958      0.00000
    113      -0.7879      0.00000
    114      -0.6986      0.00000
    115      -0.3709      0.00000
    116       0.2352      0.00000
    117       0.2545      0.00000
    118       0.3746      0.00000
    119       0.7094      0.00000
    120       0.8769      0.00000
    121       0.9445      0.00000
    122       1.1364      0.00000
    123       1.2491      0.00000
    124       1.4678      0.00000
    125       1.5776      0.00000
    126       1.7803      0.00000
    127       1.8566      0.00000
    128       1.8683      0.00000
    129       1.9950      0.00000
    130       2.0323      0.00000
    131       2.1840      0.00000
    132       2.2325      0.00000
    133       2.3831      0.00000
    134       2.4143      0.00000
    135       2.5112      0.00000
    136       2.6314      0.00000
    137       2.6872      0.00000
    138       2.7341      0.00000
    139       2.7776      0.00000
    140       2.8751      0.00000
    141       2.9843      0.00000
    142       3.0859      0.00000
    143       3.1567      0.00000
    144       3.2010      0.00000
    145       3.2515      0.00000
    146       3.2895      0.00000
    147       3.3258      0.00000
    148       3.4862      0.00000
    149       3.5250      0.00000
    150       3.7041      0.00000
    151       3.7340      0.00000
    152       3.7806      0.00000
    153       3.8651      0.00000
    154       3.8789      0.00000
    155       3.9050      0.00000
    156       3.9514      0.00000
    157       4.0075      0.00000
    158       4.0355      0.00000
    159       4.0502      0.00000
    160       4.1515      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3176      1.00000
      2     -21.7603      1.00000
      3     -21.5651      1.00000
      4     -21.5372      1.00000
      5     -21.2027      1.00000
      6     -21.1635      1.00000
      7     -20.9864      1.00000
      8     -20.0988      1.00000
      9     -20.0599      1.00000
     10     -19.5380      1.00000
     11     -19.5191      1.00000
     12     -19.3506      1.00000
     13     -19.0273      1.00000
     14     -18.9844      1.00000
     15     -18.9744      1.00000
     16     -18.9725      1.00000
     17     -18.2887      1.00000
     18     -18.2761      1.00000
     19     -17.9648      1.00000
     20     -17.0213      1.00000
     21     -16.9849      1.00000
     22     -16.8714      1.00000
     23     -16.8554      1.00000
     24     -16.3846      1.00000
     25     -16.3605      1.00000
     26     -15.5617      1.00000
     27     -15.5580      1.00000
     28     -15.2217      1.00000
     29     -15.2185      1.00000
     30     -15.0970      1.00000
     31     -14.9871      1.00000
     32     -14.9509      1.00000
     33     -14.6436      1.00000
     34     -14.6360      1.00000
     35     -13.6798      1.00000
     36     -13.6691      1.00000
     37     -13.1439      1.00000
     38     -12.5347      1.00000
     39     -12.4738      1.00000
     40     -12.3628      1.00000
     41     -12.3613      1.00000
     42     -12.0914      1.00000
     43     -12.0865      1.00000
     44     -11.6793      1.00000
     45     -11.6389      1.00000
     46     -11.1784      1.00000
     47     -11.1309      1.00000
     48     -10.9450      1.00000
     49     -10.9313      1.00000
     50     -10.8981      1.00000
     51     -10.8657      1.00000
     52     -10.6207      1.00000
     53     -10.1157      1.00000
     54     -10.0233      1.00000
     55      -9.9777      1.00000
     56      -9.9250      1.00000
     57      -9.6562      1.00000
     58      -9.6536      1.00000
     59      -9.6080      1.00000
     60      -9.5484      1.00000
     61      -9.5116      1.00000
     62      -9.4796      1.00000
     63      -9.2676      1.00000
     64      -9.2237      1.00000
     65      -9.2020      1.00000
     66      -9.1983      1.00000
     67      -9.0591      1.00000
     68      -9.0277      1.00000
     69      -9.0234      1.00000
     70      -8.8828      1.00000
     71      -8.8384      1.00000
     72      -8.5886      1.00000
     73      -8.5739      1.00000
     74      -8.5177      1.00000
     75      -7.9687      1.00000
     76      -7.8678      1.00000
     77      -7.8062      1.00000
     78      -7.7893      1.00000
     79      -7.6886      1.00000
     80      -7.6721      1.00000
     81      -7.4145      1.00000
     82      -7.2362      1.00000
     83      -7.1918      1.00000
     84      -7.1734      1.00000
     85      -7.1090      1.00000
     86      -7.0607      1.00000
     87      -7.0068      1.00000
     88      -6.7236      1.00000
     89      -6.6582      1.00000
     90      -6.6152      1.00000
     91      -6.5670      1.00000
     92      -6.0814      1.00000
     93      -6.0396      1.00000
     94      -5.9489      1.00000
     95      -5.9407      1.00000
     96      -5.8400      1.00000
     97      -5.1959      1.00000
     98      -4.8981      1.00000
     99      -4.7844      1.00000
    100      -4.6490      1.00000
    101      -4.4997      1.00000
    102      -4.1161      1.00000
    103      -4.1081      1.00000
    104      -3.8974      1.00000
    105      -3.8923      1.00000
    106      -3.8233      1.00000
    107      -1.8039      0.00000
    108      -1.7474      0.00000
    109      -1.4395      0.00000
    110      -1.3478      0.00000
    111      -1.2519      0.00000
    112      -1.1636      0.00000
    113      -0.6283      0.00000
    114      -0.5296      0.00000
    115      -0.2140      0.00000
    116       0.0248      0.00000
    117       0.5889      0.00000
    118       0.7192      0.00000
    119       0.8216      0.00000
    120       0.9460      0.00000
    121       1.1965      0.00000
    122       1.2247      0.00000
    123       1.2777      0.00000
    124       1.4435      0.00000
    125       1.6030      0.00000
    126       1.6543      0.00000
    127       1.7175      0.00000
    128       1.7733      0.00000
    129       1.8817      0.00000
    130       1.8967      0.00000
    131       2.1486      0.00000
    132       2.1840      0.00000
    133       2.2640      0.00000
    134       2.3153      0.00000
    135       2.5587      0.00000
    136       2.5779      0.00000
    137       2.5862      0.00000
    138       2.7660      0.00000
    139       2.7911      0.00000
    140       2.8032      0.00000
    141       2.9094      0.00000
    142       2.9219      0.00000
    143       3.0237      0.00000
    144       3.0561      0.00000
    145       3.0983      0.00000
    146       3.2901      0.00000
    147       3.3223      0.00000
    148       3.3767      0.00000
    149       3.4834      0.00000
    150       3.5653      0.00000
    151       3.6438      0.00000
    152       3.6728      0.00000
    153       3.6794      0.00000
    154       3.8926      0.00000
    155       3.9715      0.00000
    156       4.0197      0.00000
    157       4.0775      0.00000
    158       4.2447      0.00000
    159       4.2548      0.00000
    160       4.2681      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1391      1.00000
      2     -22.0464      1.00000
      3     -21.8833      1.00000
      4     -21.3316      1.00000
      5     -20.9759      1.00000
      6     -20.9462      1.00000
      7     -20.4263      1.00000
      8     -20.3940      1.00000
      9     -20.2183      1.00000
     10     -20.2169      1.00000
     11     -19.8819      1.00000
     12     -19.8180      1.00000
     13     -18.8082      1.00000
     14     -18.7375      1.00000
     15     -18.2756      1.00000
     16     -18.2598      1.00000
     17     -18.0772      1.00000
     18     -18.0706      1.00000
     19     -17.7550      1.00000
     20     -17.7372      1.00000
     21     -17.1751      1.00000
     22     -17.1555      1.00000
     23     -17.1420      1.00000
     24     -17.0480      1.00000
     25     -15.9834      1.00000
     26     -15.8315      1.00000
     27     -15.8217      1.00000
     28     -15.7318      1.00000
     29     -15.2219      1.00000
     30     -14.4895      1.00000
     31     -14.4676      1.00000
     32     -14.2698      1.00000
     33     -13.8848      1.00000
     34     -13.8512      1.00000
     35     -13.7211      1.00000
     36     -13.6972      1.00000
     37     -13.5656      1.00000
     38     -13.5373      1.00000
     39     -13.2804      1.00000
     40     -12.5247      1.00000
     41     -12.1314      1.00000
     42     -12.1047      1.00000
     43     -12.0299      1.00000
     44     -11.9828      1.00000
     45     -11.5746      1.00000
     46     -11.5649      1.00000
     47     -11.0838      1.00000
     48     -11.0617      1.00000
     49     -10.7580      1.00000
     50     -10.6922      1.00000
     51     -10.5608      1.00000
     52     -10.1329      1.00000
     53     -10.1295      1.00000
     54     -10.1002      1.00000
     55      -9.9524      1.00000
     56      -9.9054      1.00000
     57      -9.8944      1.00000
     58      -9.7348      1.00000
     59      -9.7165      1.00000
     60      -9.6765      1.00000
     61      -9.6680      1.00000
     62      -9.4115      1.00000
     63      -9.3938      1.00000
     64      -9.0615      1.00000
     65      -8.9860      1.00000
     66      -8.9562      1.00000
     67      -8.9442      1.00000
     68      -8.8209      1.00000
     69      -8.6491      1.00000
     70      -8.6313      1.00000
     71      -8.5497      1.00000
     72      -8.5374      1.00000
     73      -8.5192      1.00000
     74      -8.4236      1.00000
     75      -8.4101      1.00000
     76      -8.2105      1.00000
     77      -8.1020      1.00000
     78      -8.0211      1.00000
     79      -7.9090      1.00000
     80      -7.7605      1.00000
     81      -7.6078      1.00000
     82      -7.5661      1.00000
     83      -7.5027      1.00000
     84      -7.2529      1.00000
     85      -6.8671      1.00000
     86      -6.8075      1.00000
     87      -6.7123      1.00000
     88      -6.5300      1.00000
     89      -6.4986      1.00000
     90      -6.4402      1.00000
     91      -6.3376      1.00000
     92      -6.2155      1.00000
     93      -5.8740      1.00000
     94      -5.7398      1.00000
     95      -5.7074      1.00000
     96      -5.5530      1.00000
     97      -5.3243      1.00000
     98      -5.2296      1.00000
     99      -5.1668      1.00000
    100      -5.1072      1.00000
    101      -4.6674      1.00000
    102      -4.3251      1.00000
    103      -4.2896      1.00000
    104      -4.0274      1.00000
    105      -3.8265      1.00000
    106      -3.1723      1.00000
    107      -2.4691      0.00000
    108      -1.3708      0.00000
    109      -1.2072      0.00000
    110      -1.1597      0.00000
    111      -1.1528      0.00000
    112      -0.5879      0.00000
    113      -0.4891      0.00000
    114      -0.3952      0.00000
    115      -0.2867      0.00000
    116      -0.0662      0.00000
    117       0.0235      0.00000
    118       0.1111      0.00000
    119       0.5453      0.00000
    120       0.6704      0.00000
    121       0.8117      0.00000
    122       0.9547      0.00000
    123       1.1967      0.00000
    124       1.5253      0.00000
    125       1.6416      0.00000
    126       1.8794      0.00000
    127       2.0019      0.00000
    128       2.0606      0.00000
    129       2.0761      0.00000
    130       2.1273      0.00000
    131       2.2196      0.00000
    132       2.2614      0.00000
    133       2.3166      0.00000
    134       2.4252      0.00000
    135       2.6133      0.00000
    136       2.7069      0.00000
    137       2.8441      0.00000
    138       2.9381      0.00000
    139       2.9611      0.00000
    140       3.0078      0.00000
    141       3.0588      0.00000
    142       3.1316      0.00000
    143       3.1723      0.00000
    144       3.2293      0.00000
    145       3.3085      0.00000
    146       3.3234      0.00000
    147       3.3562      0.00000
    148       3.3768      0.00000
    149       3.4294      0.00000
    150       3.4311      0.00000
    151       3.5511      0.00000
    152       3.5977      0.00000
    153       3.6471      0.00000
    154       3.6869      0.00000
    155       3.8641      0.00000
    156       3.9150      0.00000
    157       3.9465      0.00000
    158       3.9712      0.00000
    159       4.1638      0.00000
    160       4.1956      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2118      1.00000
      2     -22.0069      1.00000
      3     -21.6435      1.00000
      4     -21.6117      1.00000
      5     -20.9084      1.00000
      6     -20.8674      1.00000
      7     -20.5390      1.00000
      8     -20.5081      1.00000
      9     -20.4989      1.00000
     10     -19.9660      1.00000
     11     -19.4326      1.00000
     12     -19.4123      1.00000
     13     -19.2327      1.00000
     14     -19.2260      1.00000
     15     -18.3827      1.00000
     16     -18.3479      1.00000
     17     -17.8512      1.00000
     18     -17.8360      1.00000
     19     -17.7032      1.00000
     20     -17.6680      1.00000
     21     -17.3628      1.00000
     22     -17.3491      1.00000
     23     -17.3102      1.00000
     24     -16.3844      1.00000
     25     -16.3600      1.00000
     26     -15.8480      1.00000
     27     -15.3561      1.00000
     28     -15.3504      1.00000
     29     -15.0414      1.00000
     30     -15.0307      1.00000
     31     -14.8377      1.00000
     32     -14.8340      1.00000
     33     -14.1990      1.00000
     34     -14.1484      1.00000
     35     -13.3498      1.00000
     36     -13.2957      1.00000
     37     -13.1349      1.00000
     38     -13.1261      1.00000
     39     -12.8821      1.00000
     40     -12.8755      1.00000
     41     -12.5809      1.00000
     42     -12.5727      1.00000
     43     -12.1040      1.00000
     44     -11.5416      1.00000
     45     -11.4970      1.00000
     46     -11.2776      1.00000
     47     -11.2458      1.00000
     48     -11.0530      1.00000
     49     -10.6959      1.00000
     50     -10.5824      1.00000
     51     -10.5005      1.00000
     52     -10.2418      1.00000
     53     -10.2388      1.00000
     54     -10.1209      1.00000
     55     -10.0541      1.00000
     56     -10.0349      1.00000
     57      -9.7790      1.00000
     58      -9.6631      1.00000
     59      -9.6568      1.00000
     60      -9.6137      1.00000
     61      -9.6005      1.00000
     62      -9.5772      1.00000
     63      -9.2756      1.00000
     64      -9.2713      1.00000
     65      -9.2555      1.00000
     66      -9.0632      1.00000
     67      -8.9087      1.00000
     68      -8.8969      1.00000
     69      -8.7181      1.00000
     70      -8.5838      1.00000
     71      -8.5608      1.00000
     72      -8.3662      1.00000
     73      -8.3292      1.00000
     74      -8.2807      1.00000
     75      -8.2763      1.00000
     76      -8.2362      1.00000
     77      -8.2228      1.00000
     78      -8.1964      1.00000
     79      -8.1146      1.00000
     80      -7.7100      1.00000
     81      -7.4115      1.00000
     82      -7.2587      1.00000
     83      -7.1741      1.00000
     84      -7.0974      1.00000
     85      -7.0749      1.00000
     86      -6.9855      1.00000
     87      -6.8829      1.00000
     88      -6.8293      1.00000
     89      -6.6255      1.00000
     90      -6.4069      1.00000
     91      -6.2972      1.00000
     92      -6.2349      1.00000
     93      -5.9193      1.00000
     94      -5.6624      1.00000
     95      -5.6283      1.00000
     96      -5.5600      1.00000
     97      -5.2996      1.00000
     98      -5.2585      1.00000
     99      -5.1674      1.00000
    100      -5.1209      1.00000
    101      -4.5907      1.00000
    102      -4.2570      1.00000
    103      -4.0416      1.00000
    104      -3.8339      1.00000
    105      -3.8329      1.00000
    106      -3.7611      1.00000
    107      -1.8707      0.00000
    108      -1.8398      0.00000
    109      -1.2396      0.00000
    110      -1.1050      0.00000
    111      -0.9913      0.00000
    112      -0.7559      0.00000
    113      -0.6430      0.00000
    114      -0.5726      0.00000
    115      -0.4969      0.00000
    116      -0.1590      0.00000
    117       0.2144      0.00000
    118       0.3265      0.00000
    119       0.7115      0.00000
    120       0.9580      0.00000
    121       1.1414      0.00000
    122       1.2450      0.00000
    123       1.3629      0.00000
    124       1.5120      0.00000
    125       1.6008      0.00000
    126       1.6083      0.00000
    127       1.6738      0.00000
    128       1.7803      0.00000
    129       1.8710      0.00000
    130       2.0352      0.00000
    131       2.1476      0.00000
    132       2.2846      0.00000
    133       2.4114      0.00000
    134       2.4352      0.00000
    135       2.5767      0.00000
    136       2.6410      0.00000
    137       2.6891      0.00000
    138       2.7000      0.00000
    139       2.7674      0.00000
    140       2.9103      0.00000
    141       3.0531      0.00000
    142       3.0722      0.00000
    143       3.1955      0.00000
    144       3.2822      0.00000
    145       3.4091      0.00000
    146       3.4145      0.00000
    147       3.4612      0.00000
    148       3.5696      0.00000
    149       3.5878      0.00000
    150       3.6350      0.00000
    151       3.6707      0.00000
    152       3.7126      0.00000
    153       3.7354      0.00000
    154       3.7426      0.00000
    155       3.8342      0.00000
    156       3.9081      0.00000
    157       3.9104      0.00000
    158       3.9670      0.00000
    159       4.1860      0.00000
    160       4.2387      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3541      1.00000
      2     -21.5347      1.00000
      3     -21.4054      1.00000
      4     -21.4032      1.00000
      5     -21.3715      1.00000
      6     -21.3646      1.00000
      7     -21.3569      1.00000
      8     -19.6436      1.00000
      9     -19.5738      1.00000
     10     -19.5598      1.00000
     11     -19.5596      1.00000
     12     -19.5401      1.00000
     13     -19.5327      1.00000
     14     -18.7244      1.00000
     15     -18.6894      1.00000
     16     -18.6656      1.00000
     17     -18.6524      1.00000
     18     -18.6471      1.00000
     19     -18.6367      1.00000
     20     -16.5796      1.00000
     21     -16.5629      1.00000
     22     -16.5559      1.00000
     23     -16.4793      1.00000
     24     -16.4774      1.00000
     25     -16.4616      1.00000
     26     -15.5628      1.00000
     27     -15.5618      1.00000
     28     -15.5388      1.00000
     29     -15.5349      1.00000
     30     -15.4712      1.00000
     31     -15.4148      1.00000
     32     -14.2059      1.00000
     33     -14.1873      1.00000
     34     -14.1785      1.00000
     35     -14.1775      1.00000
     36     -14.1358      1.00000
     37     -14.1354      1.00000
     38     -11.8633      1.00000
     39     -11.8630      1.00000
     40     -11.8550      1.00000
     41     -11.7700      1.00000
     42     -11.7622      1.00000
     43     -11.7525      1.00000
     44     -11.7056      1.00000
     45     -11.6890      1.00000
     46     -11.6706      1.00000
     47     -11.6593      1.00000
     48     -11.6516      1.00000
     49     -11.6346      1.00000
     50     -10.6667      1.00000
     51     -10.3571      1.00000
     52     -10.3424      1.00000
     53     -10.3329      1.00000
     54     -10.3286      1.00000
     55     -10.2454      1.00000
     56     -10.2250      1.00000
     57      -9.9181      1.00000
     58      -9.3758      1.00000
     59      -9.3555      1.00000
     60      -9.2951      1.00000
     61      -9.2940      1.00000
     62      -9.2833      1.00000
     63      -9.0793      1.00000
     64      -9.0789      1.00000
     65      -9.0617      1.00000
     66      -9.0293      1.00000
     67      -9.0235      1.00000
     68      -9.0132      1.00000
     69      -8.9999      1.00000
     70      -8.9970      1.00000
     71      -8.9854      1.00000
     72      -8.9829      1.00000
     73      -8.9328      1.00000
     74      -8.9288      1.00000
     75      -8.5018      1.00000
     76      -7.5342      1.00000
     77      -7.4517      1.00000
     78      -7.4130      1.00000
     79      -7.3849      1.00000
     80      -7.3818      1.00000
     81      -7.3250      1.00000
     82      -7.3232      1.00000
     83      -7.3156      1.00000
     84      -7.2617      1.00000
     85      -7.2152      1.00000
     86      -7.1812      1.00000
     87      -7.1742      1.00000
     88      -7.0684      1.00000
     89      -6.5402      1.00000
     90      -6.4456      1.00000
     91      -6.3360      1.00000
     92      -6.3234      1.00000
     93      -6.2724      1.00000
     94      -6.2724      1.00000
     95      -5.9917      1.00000
     96      -5.7881      1.00000
     97      -5.0751      1.00000
     98      -4.9190      1.00000
     99      -4.5485      1.00000
    100      -4.3517      1.00000
    101      -4.3011      1.00000
    102      -4.2997      1.00000
    103      -4.0961      1.00000
    104      -3.9282      1.00000
    105      -3.9053      1.00000
    106      -3.8302      1.00000
    107      -1.7180      0.00000
    108      -1.6237      0.00000
    109      -1.5819      0.00000
    110      -1.5605      0.00000
    111      -1.5138      0.00000
    112      -1.4489      0.00000
    113      -0.5840      0.00000
    114       0.1658      0.00000
    115       0.1844      0.00000
    116       0.2996      0.00000
    117       0.3200      0.00000
    118       0.3779      0.00000
    119       0.4744      0.00000
    120       0.6084      0.00000
    121       1.2601      0.00000
    122       1.2898      0.00000
    123       1.5454      0.00000
    124       1.7487      0.00000
    125       1.8098      0.00000
    126       1.8176      0.00000
    127       1.8182      0.00000
    128       1.9331      0.00000
    129       1.9914      0.00000
    130       1.9951      0.00000
    131       2.0385      0.00000
    132       2.0676      0.00000
    133       2.0752      0.00000
    134       2.0817      0.00000
    135       2.3264      0.00000
    136       2.3308      0.00000
    137       2.6319      0.00000
    138       2.6438      0.00000
    139       2.6642      0.00000
    140       2.7230      0.00000
    141       2.8976      0.00000
    142       3.0017      0.00000
    143       3.0073      0.00000
    144       3.0117      0.00000
    145       3.0135      0.00000
    146       3.0261      0.00000
    147       3.0804      0.00000
    148       3.2460      0.00000
    149       3.4256      0.00000
    150       3.5473      0.00000
    151       3.8041      0.00000
    152       3.9341      0.00000
    153       3.9390      0.00000
    154       3.9517      0.00000
    155       3.9549      0.00000
    156       4.0167      0.00000
    157       4.1825      0.00000
    158       4.2562      0.00000
    159       4.2888      0.00000
    160       4.2930      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3175      1.00000
      2     -21.7587      1.00000
      3     -21.5692      1.00000
      4     -21.5360      1.00000
      5     -21.2061      1.00000
      6     -21.1608      1.00000
      7     -20.9840      1.00000
      8     -20.0992      1.00000
      9     -20.0546      1.00000
     10     -19.5474      1.00000
     11     -19.5231      1.00000
     12     -19.3438      1.00000
     13     -19.0216      1.00000
     14     -18.9940      1.00000
     15     -18.9781      1.00000
     16     -18.9663      1.00000
     17     -18.3027      1.00000
     18     -18.2762      1.00000
     19     -17.9414      1.00000
     20     -16.9991      1.00000
     21     -16.9467      1.00000
     22     -16.9075      1.00000
     23     -16.8509      1.00000
     24     -16.4364      1.00000
     25     -16.3906      1.00000
     26     -15.5726      1.00000
     27     -15.4894      1.00000
     28     -15.1956      1.00000
     29     -15.1303      1.00000
     30     -15.1210      1.00000
     31     -15.0507      1.00000
     32     -15.0200      1.00000
     33     -14.6464      1.00000
     34     -14.5999      1.00000
     35     -13.6688      1.00000
     36     -13.6311      1.00000
     37     -13.1821      1.00000
     38     -12.5918      1.00000
     39     -12.5164      1.00000
     40     -12.4083      1.00000
     41     -12.3760      1.00000
     42     -12.0342      1.00000
     43     -12.0011      1.00000
     44     -11.6463      1.00000
     45     -11.6006      1.00000
     46     -11.2281      1.00000
     47     -11.1392      1.00000
     48     -10.9738      1.00000
     49     -10.9361      1.00000
     50     -10.8693      1.00000
     51     -10.8063      1.00000
     52     -10.5929      1.00000
     53     -10.1266      1.00000
     54     -10.1077      1.00000
     55     -10.0596      1.00000
     56      -9.9786      1.00000
     57      -9.6730      1.00000
     58      -9.6278      1.00000
     59      -9.5579      1.00000
     60      -9.5424      1.00000
     61      -9.4966      1.00000
     62      -9.4593      1.00000
     63      -9.2725      1.00000
     64      -9.2494      1.00000
     65      -9.2095      1.00000
     66      -9.1529      1.00000
     67      -9.0799      1.00000
     68      -9.0617      1.00000
     69      -9.0300      1.00000
     70      -8.8778      1.00000
     71      -8.7891      1.00000
     72      -8.5663      1.00000
     73      -8.5175      1.00000
     74      -8.4333      1.00000
     75      -8.0716      1.00000
     76      -7.8212      1.00000
     77      -7.8037      1.00000
     78      -7.7701      1.00000
     79      -7.7332      1.00000
     80      -7.6485      1.00000
     81      -7.3842      1.00000
     82      -7.3117      1.00000
     83      -7.2538      1.00000
     84      -7.2317      1.00000
     85      -7.1823      1.00000
     86      -6.9959      1.00000
     87      -6.9056      1.00000
     88      -6.7647      1.00000
     89      -6.6716      1.00000
     90      -6.5945      1.00000
     91      -6.5439      1.00000
     92      -6.1383      1.00000
     93      -6.0896      1.00000
     94      -5.9846      1.00000
     95      -5.8807      1.00000
     96      -5.7097      1.00000
     97      -5.1827      1.00000
     98      -4.9741      1.00000
     99      -4.6896      1.00000
    100      -4.6129      1.00000
    101      -4.4550      1.00000
    102      -4.3629      1.00000
    103      -4.1205      1.00000
    104      -3.8691      1.00000
    105      -3.8298      1.00000
    106      -3.8150      1.00000
    107      -1.7769      0.00000
    108      -1.6931      0.00000
    109      -1.4288      0.00000
    110      -1.3124      0.00000
    111      -1.2946      0.00000
    112      -1.2241      0.00000
    113      -0.7653      0.00000
    114      -0.4026      0.00000
    115      -0.1626      0.00000
    116      -0.0407      0.00000
    117       0.6079      0.00000
    118       0.7376      0.00000
    119       0.7849      0.00000
    120       1.0370      0.00000
    121       1.1300      0.00000
    122       1.2367      0.00000
    123       1.2818      0.00000
    124       1.4172      0.00000
    125       1.4830      0.00000
    126       1.6055      0.00000
    127       1.7387      0.00000
    128       1.8402      0.00000
    129       1.9111      0.00000
    130       1.9719      0.00000
    131       2.1077      0.00000
    132       2.2550      0.00000
    133       2.2566      0.00000
    134       2.3116      0.00000
    135       2.4995      0.00000
    136       2.5829      0.00000
    137       2.6508      0.00000
    138       2.7626      0.00000
    139       2.7779      0.00000
    140       2.8041      0.00000
    141       2.8427      0.00000
    142       2.8900      0.00000
    143       2.9449      0.00000
    144       3.1006      0.00000
    145       3.2837      0.00000
    146       3.2868      0.00000
    147       3.3407      0.00000
    148       3.3700      0.00000
    149       3.4753      0.00000
    150       3.5559      0.00000
    151       3.6135      0.00000
    152       3.6800      0.00000
    153       3.7115      0.00000
    154       3.9096      0.00000
    155       3.9322      0.00000
    156       3.9852      0.00000
    157       4.0700      0.00000
    158       4.1971      0.00000
    159       4.2498      0.00000
    160       4.2990      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2117      1.00000
      2     -22.0055      1.00000
      3     -21.6480      1.00000
      4     -21.6105      1.00000
      5     -20.9112      1.00000
      6     -20.8643      1.00000
      7     -20.5434      1.00000
      8     -20.5023      1.00000
      9     -20.4939      1.00000
     10     -19.9593      1.00000
     11     -19.4433      1.00000
     12     -19.4169      1.00000
     13     -19.2440      1.00000
     14     -19.2280      1.00000
     15     -18.3797      1.00000
     16     -18.3341      1.00000
     17     -17.8674      1.00000
     18     -17.8360      1.00000
     19     -17.6920      1.00000
     20     -17.6468      1.00000
     21     -17.3884      1.00000
     22     -17.3476      1.00000
     23     -17.2527      1.00000
     24     -16.4183      1.00000
     25     -16.3996      1.00000
     26     -15.9224      1.00000
     27     -15.3671      1.00000
     28     -15.3060      1.00000
     29     -15.0454      1.00000
     30     -14.9958      1.00000
     31     -14.7744      1.00000
     32     -14.7342      1.00000
     33     -14.2488      1.00000
     34     -14.1982      1.00000
     35     -13.4039      1.00000
     36     -13.3402      1.00000
     37     -13.1166      1.00000
     38     -13.0801      1.00000
     39     -12.9353      1.00000
     40     -12.9136      1.00000
     41     -12.5468      1.00000
     42     -12.5122      1.00000
     43     -12.1475      1.00000
     44     -11.5104      1.00000
     45     -11.4540      1.00000
     46     -11.2446      1.00000
     47     -11.1939      1.00000
     48     -11.0943      1.00000
     49     -10.6702      1.00000
     50     -10.6110      1.00000
     51     -10.5047      1.00000
     52     -10.2789      1.00000
     53     -10.2329      1.00000
     54     -10.1190      1.00000
     55     -10.0931      1.00000
     56     -10.0039      1.00000
     57      -9.7686      1.00000
     58      -9.7329      1.00000
     59      -9.6758      1.00000
     60      -9.6535      1.00000
     61      -9.6202      1.00000
     62      -9.5884      1.00000
     63      -9.3195      1.00000
     64      -9.2840      1.00000
     65      -9.2413      1.00000
     66      -9.0823      1.00000
     67      -8.9445      1.00000
     68      -8.8186      1.00000
     69      -8.7252      1.00000
     70      -8.5863      1.00000
     71      -8.4950      1.00000
     72      -8.3307      1.00000
     73      -8.3044      1.00000
     74      -8.2747      1.00000
     75      -8.2096      1.00000
     76      -8.1743      1.00000
     77      -8.1469      1.00000
     78      -8.1317      1.00000
     79      -8.0970      1.00000
     80      -7.6791      1.00000
     81      -7.3917      1.00000
     82      -7.3286      1.00000
     83      -7.2976      1.00000
     84      -7.2283      1.00000
     85      -7.1508      1.00000
     86      -7.0795      1.00000
     87      -6.9283      1.00000
     88      -6.8802      1.00000
     89      -6.5575      1.00000
     90      -6.4970      1.00000
     91      -6.1458      1.00000
     92      -6.0697      1.00000
     93      -5.9243      1.00000
     94      -5.7440      1.00000
     95      -5.6094      1.00000
     96      -5.4453      1.00000
     97      -5.3163      1.00000
     98      -5.1964      1.00000
     99      -5.1728      1.00000
    100      -5.1128      1.00000
    101      -4.5397      1.00000
    102      -4.4657      1.00000
    103      -4.1505      1.00000
    104      -3.8346      1.00000
    105      -3.7708      1.00000
    106      -3.6970      1.00000
    107      -1.8440      0.00000
    108      -1.7899      0.00000
    109      -1.3055      0.00000
    110      -1.0568      0.00000
    111      -0.9621      0.00000
    112      -0.7427      0.00000
    113      -0.6309      0.00000
    114      -0.5915      0.00000
    115      -0.5420      0.00000
    116      -0.2116      0.00000
    117       0.2182      0.00000
    118       0.2745      0.00000
    119       0.7720      0.00000
    120       0.9549      0.00000
    121       1.1567      0.00000
    122       1.2272      0.00000
    123       1.3240      0.00000
    124       1.4316      0.00000
    125       1.6200      0.00000
    126       1.6568      0.00000
    127       1.7178      0.00000
    128       1.8271      0.00000
    129       1.9323      0.00000
    130       2.0258      0.00000
    131       2.0599      0.00000
    132       2.2788      0.00000
    133       2.3866      0.00000
    134       2.4458      0.00000
    135       2.5549      0.00000
    136       2.6496      0.00000
    137       2.6987      0.00000
    138       2.7653      0.00000
    139       2.8394      0.00000
    140       2.8936      0.00000
    141       3.0513      0.00000
    142       3.1038      0.00000
    143       3.1978      0.00000
    144       3.2485      0.00000
    145       3.3860      0.00000
    146       3.4193      0.00000
    147       3.4917      0.00000
    148       3.5779      0.00000
    149       3.5985      0.00000
    150       3.6341      0.00000
    151       3.6383      0.00000
    152       3.7299      0.00000
    153       3.7459      0.00000
    154       3.7505      0.00000
    155       3.7954      0.00000
    156       3.8985      0.00000
    157       3.9802      0.00000
    158       4.0102      0.00000
    159       4.1824      0.00000
    160       4.2257      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2455      1.00000
      2     -21.8916      1.00000
      3     -21.8208      1.00000
      4     -21.3112      1.00000
      5     -21.2808      1.00000
      6     -20.7663      1.00000
      7     -20.7004      1.00000
      8     -20.5507      1.00000
      9     -20.0108      1.00000
     10     -20.0035      1.00000
     11     -19.6442      1.00000
     12     -19.6198      1.00000
     13     -18.9294      1.00000
     14     -18.9209      1.00000
     15     -18.5811      1.00000
     16     -18.5651      1.00000
     17     -18.3822      1.00000
     18     -17.5981      1.00000
     19     -17.5420      1.00000
     20     -17.5374      1.00000
     21     -17.4952      1.00000
     22     -17.0622      1.00000
     23     -17.0397      1.00000
     24     -16.9460      1.00000
     25     -15.9896      1.00000
     26     -15.7935      1.00000
     27     -15.5373      1.00000
     28     -15.5360      1.00000
     29     -15.1429      1.00000
     30     -14.8263      1.00000
     31     -14.7973      1.00000
     32     -14.5064      1.00000
     33     -14.4595      1.00000
     34     -14.0740      1.00000
     35     -14.0598      1.00000
     36     -13.1452      1.00000
     37     -13.0515      1.00000
     38     -12.9626      1.00000
     39     -12.9450      1.00000
     40     -12.6531      1.00000
     41     -12.6466      1.00000
     42     -12.2785      1.00000
     43     -12.2458      1.00000
     44     -11.5482      1.00000
     45     -11.5222      1.00000
     46     -11.4429      1.00000
     47     -10.8866      1.00000
     48     -10.8259      1.00000
     49     -10.6268      1.00000
     50     -10.5903      1.00000
     51     -10.5032      1.00000
     52     -10.4544      1.00000
     53     -10.4366      1.00000
     54     -10.4287      1.00000
     55     -10.3148      1.00000
     56     -10.0635      1.00000
     57      -9.8314      1.00000
     58      -9.5738      1.00000
     59      -9.5146      1.00000
     60      -9.4696      1.00000
     61      -9.3563      1.00000
     62      -9.3511      1.00000
     63      -9.3300      1.00000
     64      -9.3087      1.00000
     65      -9.2182      1.00000
     66      -9.0661      1.00000
     67      -9.0275      1.00000
     68      -8.9708      1.00000
     69      -8.8339      1.00000
     70      -8.7799      1.00000
     71      -8.7618      1.00000
     72      -8.5172      1.00000
     73      -8.4673      1.00000
     74      -8.2144      1.00000
     75      -8.0771      1.00000
     76      -8.0590      1.00000
     77      -7.8486      1.00000
     78      -7.8371      1.00000
     79      -7.8136      1.00000
     80      -7.6865      1.00000
     81      -7.6498      1.00000
     82      -7.6379      1.00000
     83      -7.3987      1.00000
     84      -7.3158      1.00000
     85      -7.1989      1.00000
     86      -6.8360      1.00000
     87      -6.8099      1.00000
     88      -6.6735      1.00000
     89      -6.5383      1.00000
     90      -6.4436      1.00000
     91      -6.3411      1.00000
     92      -6.2165      1.00000
     93      -6.0516      1.00000
     94      -5.9423      1.00000
     95      -5.5410      1.00000
     96      -5.3914      1.00000
     97      -5.2892      1.00000
     98      -5.2216      1.00000
     99      -5.1123      1.00000
    100      -4.7306      1.00000
    101      -4.6564      1.00000
    102      -4.3506      1.00000
    103      -4.3280      1.00000
    104      -3.9628      1.00000
    105      -3.8266      1.00000
    106      -3.4498      1.00000
    107      -2.1431      0.00000
    108      -1.3568      0.00000
    109      -1.2340      0.00000
    110      -1.1654      0.00000
    111      -1.0834      0.00000
    112      -0.9350      0.00000
    113      -0.8192      0.00000
    114      -0.8074      0.00000
    115      -0.2265      0.00000
    116       0.1588      0.00000
    117       0.2854      0.00000
    118       0.3267      0.00000
    119       0.7477      0.00000
    120       0.9116      0.00000
    121       0.9803      0.00000
    122       1.1002      0.00000
    123       1.2221      0.00000
    124       1.5353      0.00000
    125       1.5746      0.00000
    126       1.7296      0.00000
    127       1.8301      0.00000
    128       1.8526      0.00000
    129       1.9394      0.00000
    130       2.0160      0.00000
    131       2.1479      0.00000
    132       2.2964      0.00000
    133       2.3886      0.00000
    134       2.4709      0.00000
    135       2.4739      0.00000
    136       2.6922      0.00000
    137       2.7100      0.00000
    138       2.7469      0.00000
    139       2.7547      0.00000
    140       2.9021      0.00000
    141       3.0347      0.00000
    142       3.0899      0.00000
    143       3.1559      0.00000
    144       3.2013      0.00000
    145       3.2458      0.00000
    146       3.2811      0.00000
    147       3.3556      0.00000
    148       3.4862      0.00000
    149       3.5456      0.00000
    150       3.7114      0.00000
    151       3.7346      0.00000
    152       3.7400      0.00000
    153       3.8288      0.00000
    154       3.8895      0.00000
    155       3.9534      0.00000
    156       3.9621      0.00000
    157       4.0064      0.00000
    158       4.0307      0.00000
    159       4.0946      0.00000
    160       4.1877      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1394      1.00000
      2     -22.0446      1.00000
      3     -21.8849      1.00000
      4     -21.3335      1.00000
      5     -20.9793      1.00000
      6     -20.9409      1.00000
      7     -20.4314      1.00000
      8     -20.3889      1.00000
      9     -20.2228      1.00000
     10     -20.2013      1.00000
     11     -19.8893      1.00000
     12     -19.8222      1.00000
     13     -18.8172      1.00000
     14     -18.7467      1.00000
     15     -18.2836      1.00000
     16     -18.2303      1.00000
     17     -18.0900      1.00000
     18     -18.0620      1.00000
     19     -17.7569      1.00000
     20     -17.7129      1.00000
     21     -17.2145      1.00000
     22     -17.1637      1.00000
     23     -17.0753      1.00000
     24     -17.0673      1.00000
     25     -16.0710      1.00000
     26     -15.8341      1.00000
     27     -15.7986      1.00000
     28     -15.7517      1.00000
     29     -15.1381      1.00000
     30     -14.5009      1.00000
     31     -14.4410      1.00000
     32     -14.1837      1.00000
     33     -13.9242      1.00000
     34     -13.8912      1.00000
     35     -13.8010      1.00000
     36     -13.7281      1.00000
     37     -13.5406      1.00000
     38     -13.4834      1.00000
     39     -13.3063      1.00000
     40     -12.5876      1.00000
     41     -12.1138      1.00000
     42     -12.0476      1.00000
     43     -12.0050      1.00000
     44     -11.9203      1.00000
     45     -11.6268      1.00000
     46     -11.6036      1.00000
     47     -11.1056      1.00000
     48     -11.0324      1.00000
     49     -10.7413      1.00000
     50     -10.6497      1.00000
     51     -10.5189      1.00000
     52     -10.1710      1.00000
     53     -10.1184      1.00000
     54     -10.0941      1.00000
     55      -9.9730      1.00000
     56      -9.9481      1.00000
     57      -9.9199      1.00000
     58      -9.7683      1.00000
     59      -9.7529      1.00000
     60      -9.7214      1.00000
     61      -9.6564      1.00000
     62      -9.4253      1.00000
     63      -9.3530      1.00000
     64      -9.0836      1.00000
     65      -9.0367      1.00000
     66      -8.9734      1.00000
     67      -8.8534      1.00000
     68      -8.8066      1.00000
     69      -8.6833      1.00000
     70      -8.6219      1.00000
     71      -8.5592      1.00000
     72      -8.4661      1.00000
     73      -8.4536      1.00000
     74      -8.4305      1.00000
     75      -8.3154      1.00000
     76      -8.1865      1.00000
     77      -8.1106      1.00000
     78      -7.9693      1.00000
     79      -7.9116      1.00000
     80      -7.8884      1.00000
     81      -7.6274      1.00000
     82      -7.5339      1.00000
     83      -7.4331      1.00000
     84      -7.2573      1.00000
     85      -6.9943      1.00000
     86      -6.8982      1.00000
     87      -6.8493      1.00000
     88      -6.5875      1.00000
     89      -6.4532      1.00000
     90      -6.3628      1.00000
     91      -6.3413      1.00000
     92      -6.0500      1.00000
     93      -5.8729      1.00000
     94      -5.7635      1.00000
     95      -5.6928      1.00000
     96      -5.4907      1.00000
     97      -5.3338      1.00000
     98      -5.1999      1.00000
     99      -5.1349      1.00000
    100      -5.1178      1.00000
    101      -4.7289      1.00000
    102      -4.4369      1.00000
    103      -4.2661      1.00000
    104      -3.9962      1.00000
    105      -3.8257      1.00000
    106      -3.1817      1.00000
    107      -2.4314      0.00000
    108      -1.4059      0.00000
    109      -1.2003      0.00000
    110      -1.1809      0.00000
    111      -1.0569      0.00000
    112      -0.5704      0.00000
    113      -0.4867      0.00000
    114      -0.4218      0.00000
    115      -0.2691      0.00000
    116      -0.2085      0.00000
    117       0.0263      0.00000
    118       0.1075      0.00000
    119       0.5646      0.00000
    120       0.6997      0.00000
    121       0.8787      0.00000
    122       0.9814      0.00000
    123       1.1207      0.00000
    124       1.5060      0.00000
    125       1.6814      0.00000
    126       1.8241      0.00000
    127       1.8922      0.00000
    128       2.0685      0.00000
    129       2.1185      0.00000
    130       2.1590      0.00000
    131       2.2206      0.00000
    132       2.3271      0.00000
    133       2.3555      0.00000
    134       2.4866      0.00000
    135       2.5667      0.00000
    136       2.6852      0.00000
    137       2.8809      0.00000
    138       2.9218      0.00000
    139       2.9691      0.00000
    140       2.9982      0.00000
    141       3.0491      0.00000
    142       3.1343      0.00000
    143       3.1641      0.00000
    144       3.2463      0.00000
    145       3.2975      0.00000
    146       3.3315      0.00000
    147       3.3614      0.00000
    148       3.3843      0.00000
    149       3.4060      0.00000
    150       3.5036      0.00000
    151       3.5497      0.00000
    152       3.6089      0.00000
    153       3.6424      0.00000
    154       3.6907      0.00000
    155       3.7214      0.00000
    156       3.9228      0.00000
    157       3.9353      0.00000
    158       4.0748      0.00000
    159       4.1091      0.00000
    160       4.2111      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2456      1.00000
      2     -21.8929      1.00000
      3     -21.8196      1.00000
      4     -21.3133      1.00000
      5     -21.2747      1.00000
      6     -20.7704      1.00000
      7     -20.7020      1.00000
      8     -20.5544      1.00000
      9     -20.0190      1.00000
     10     -19.9867      1.00000
     11     -19.6499      1.00000
     12     -19.6184      1.00000
     13     -18.9417      1.00000
     14     -18.9058      1.00000
     15     -18.5776      1.00000
     16     -18.5397      1.00000
     17     -18.3961      1.00000
     18     -17.6009      1.00000
     19     -17.5944      1.00000
     20     -17.5422      1.00000
     21     -17.5134      1.00000
     22     -17.0752      1.00000
     23     -17.0211      1.00000
     24     -16.8721      1.00000
     25     -15.9159      1.00000
     26     -15.8856      1.00000
     27     -15.5364      1.00000
     28     -15.4777      1.00000
     29     -15.2495      1.00000
     30     -14.8022      1.00000
     31     -14.7368      1.00000
     32     -14.5387      1.00000
     33     -14.4447      1.00000
     34     -14.1138      1.00000
     35     -14.1012      1.00000
     36     -13.0751      1.00000
     37     -13.0175      1.00000
     38     -12.9823      1.00000
     39     -12.9219      1.00000
     40     -12.6634      1.00000
     41     -12.6100      1.00000
     42     -12.2877      1.00000
     43     -12.2239      1.00000
     44     -11.6053      1.00000
     45     -11.5587      1.00000
     46     -11.5316      1.00000
     47     -10.8926      1.00000
     48     -10.8730      1.00000
     49     -10.6756      1.00000
     50     -10.5293      1.00000
     51     -10.4917      1.00000
     52     -10.4601      1.00000
     53     -10.3770      1.00000
     54     -10.3332      1.00000
     55     -10.2747      1.00000
     56     -10.0582      1.00000
     57      -9.8305      1.00000
     58      -9.5482      1.00000
     59      -9.4684      1.00000
     60      -9.4361      1.00000
     61      -9.3776      1.00000
     62      -9.3276      1.00000
     63      -9.3120      1.00000
     64      -9.2559      1.00000
     65      -9.2055      1.00000
     66      -9.1452      1.00000
     67      -9.0943      1.00000
     68      -9.0709      1.00000
     69      -8.8479      1.00000
     70      -8.8290      1.00000
     71      -8.7572      1.00000
     72      -8.5343      1.00000
     73      -8.4976      1.00000
     74      -8.2328      1.00000
     75      -8.1672      1.00000
     76      -8.0856      1.00000
     77      -7.7931      1.00000
     78      -7.7598      1.00000
     79      -7.7193      1.00000
     80      -7.6939      1.00000
     81      -7.6700      1.00000
     82      -7.5657      1.00000
     83      -7.3893      1.00000
     84      -7.3556      1.00000
     85      -7.2168      1.00000
     86      -6.9009      1.00000
     87      -6.7605      1.00000
     88      -6.6529      1.00000
     89      -6.5109      1.00000
     90      -6.3361      1.00000
     91      -6.2549      1.00000
     92      -6.1829      1.00000
     93      -6.1350      1.00000
     94      -6.0347      1.00000
     95      -5.6730      1.00000
     96      -5.4898      1.00000
     97      -5.3275      1.00000
     98      -5.1685      1.00000
     99      -5.0154      1.00000
    100      -4.7541      1.00000
    101      -4.6557      1.00000
    102      -4.3458      1.00000
    103      -4.1969      1.00000
    104      -4.0096      1.00000
    105      -3.8254      1.00000
    106      -3.4486      1.00000
    107      -2.2027      0.00000
    108      -1.4147      0.00000
    109      -1.2401      0.00000
    110      -1.1867      0.00000
    111      -1.0422      0.00000
    112      -0.8958      0.00000
    113      -0.7879      0.00000
    114      -0.6986      0.00000
    115      -0.3709      0.00000
    116       0.2352      0.00000
    117       0.2545      0.00000
    118       0.3746      0.00000
    119       0.7094      0.00000
    120       0.8769      0.00000
    121       0.9445      0.00000
    122       1.1364      0.00000
    123       1.2491      0.00000
    124       1.4678      0.00000
    125       1.5776      0.00000
    126       1.7803      0.00000
    127       1.8566      0.00000
    128       1.8683      0.00000
    129       1.9950      0.00000
    130       2.0323      0.00000
    131       2.1840      0.00000
    132       2.2325      0.00000
    133       2.3831      0.00000
    134       2.4143      0.00000
    135       2.5112      0.00000
    136       2.6314      0.00000
    137       2.6872      0.00000
    138       2.7341      0.00000
    139       2.7776      0.00000
    140       2.8751      0.00000
    141       2.9843      0.00000
    142       3.0859      0.00000
    143       3.1567      0.00000
    144       3.2010      0.00000
    145       3.2515      0.00000
    146       3.2895      0.00000
    147       3.3258      0.00000
    148       3.4862      0.00000
    149       3.5250      0.00000
    150       3.7041      0.00000
    151       3.7340      0.00000
    152       3.7806      0.00000
    153       3.8651      0.00000
    154       3.8789      0.00000
    155       3.9050      0.00000
    156       3.9514      0.00000
    157       4.0075      0.00000
    158       4.0355      0.00000
    159       4.0501      0.00000
    160       4.1517      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3176      1.00000
      2     -21.7603      1.00000
      3     -21.5651      1.00000
      4     -21.5372      1.00000
      5     -21.2027      1.00000
      6     -21.1635      1.00000
      7     -20.9864      1.00000
      8     -20.0988      1.00000
      9     -20.0599      1.00000
     10     -19.5380      1.00000
     11     -19.5191      1.00000
     12     -19.3506      1.00000
     13     -19.0273      1.00000
     14     -18.9844      1.00000
     15     -18.9744      1.00000
     16     -18.9725      1.00000
     17     -18.2887      1.00000
     18     -18.2761      1.00000
     19     -17.9648      1.00000
     20     -17.0213      1.00000
     21     -16.9849      1.00000
     22     -16.8714      1.00000
     23     -16.8554      1.00000
     24     -16.3846      1.00000
     25     -16.3605      1.00000
     26     -15.5617      1.00000
     27     -15.5580      1.00000
     28     -15.2217      1.00000
     29     -15.2185      1.00000
     30     -15.0970      1.00000
     31     -14.9871      1.00000
     32     -14.9509      1.00000
     33     -14.6436      1.00000
     34     -14.6360      1.00000
     35     -13.6798      1.00000
     36     -13.6691      1.00000
     37     -13.1439      1.00000
     38     -12.5347      1.00000
     39     -12.4738      1.00000
     40     -12.3628      1.00000
     41     -12.3613      1.00000
     42     -12.0914      1.00000
     43     -12.0865      1.00000
     44     -11.6793      1.00000
     45     -11.6389      1.00000
     46     -11.1784      1.00000
     47     -11.1309      1.00000
     48     -10.9450      1.00000
     49     -10.9313      1.00000
     50     -10.8981      1.00000
     51     -10.8657      1.00000
     52     -10.6207      1.00000
     53     -10.1157      1.00000
     54     -10.0233      1.00000
     55      -9.9777      1.00000
     56      -9.9250      1.00000
     57      -9.6562      1.00000
     58      -9.6536      1.00000
     59      -9.6080      1.00000
     60      -9.5484      1.00000
     61      -9.5116      1.00000
     62      -9.4796      1.00000
     63      -9.2676      1.00000
     64      -9.2237      1.00000
     65      -9.2020      1.00000
     66      -9.1983      1.00000
     67      -9.0591      1.00000
     68      -9.0277      1.00000
     69      -9.0234      1.00000
     70      -8.8828      1.00000
     71      -8.8384      1.00000
     72      -8.5886      1.00000
     73      -8.5739      1.00000
     74      -8.5177      1.00000
     75      -7.9687      1.00000
     76      -7.8678      1.00000
     77      -7.8062      1.00000
     78      -7.7893      1.00000
     79      -7.6886      1.00000
     80      -7.6721      1.00000
     81      -7.4145      1.00000
     82      -7.2362      1.00000
     83      -7.1918      1.00000
     84      -7.1734      1.00000
     85      -7.1090      1.00000
     86      -7.0607      1.00000
     87      -7.0068      1.00000
     88      -6.7236      1.00000
     89      -6.6582      1.00000
     90      -6.6152      1.00000
     91      -6.5670      1.00000
     92      -6.0814      1.00000
     93      -6.0396      1.00000
     94      -5.9489      1.00000
     95      -5.9407      1.00000
     96      -5.8400      1.00000
     97      -5.1959      1.00000
     98      -4.8981      1.00000
     99      -4.7844      1.00000
    100      -4.6490      1.00000
    101      -4.4997      1.00000
    102      -4.1161      1.00000
    103      -4.1081      1.00000
    104      -3.8974      1.00000
    105      -3.8923      1.00000
    106      -3.8233      1.00000
    107      -1.8039      0.00000
    108      -1.7474      0.00000
    109      -1.4395      0.00000
    110      -1.3478      0.00000
    111      -1.2519      0.00000
    112      -1.1636      0.00000
    113      -0.6283      0.00000
    114      -0.5296      0.00000
    115      -0.2140      0.00000
    116       0.0248      0.00000
    117       0.5889      0.00000
    118       0.7192      0.00000
    119       0.8216      0.00000
    120       0.9460      0.00000
    121       1.1965      0.00000
    122       1.2247      0.00000
    123       1.2777      0.00000
    124       1.4435      0.00000
    125       1.6030      0.00000
    126       1.6543      0.00000
    127       1.7175      0.00000
    128       1.7733      0.00000
    129       1.8817      0.00000
    130       1.8967      0.00000
    131       2.1486      0.00000
    132       2.1840      0.00000
    133       2.2640      0.00000
    134       2.3152      0.00000
    135       2.5587      0.00000
    136       2.5779      0.00000
    137       2.5862      0.00000
    138       2.7660      0.00000
    139       2.7911      0.00000
    140       2.8031      0.00000
    141       2.9094      0.00000
    142       2.9219      0.00000
    143       3.0237      0.00000
    144       3.0561      0.00000
    145       3.0983      0.00000
    146       3.2900      0.00000
    147       3.3223      0.00000
    148       3.3767      0.00000
    149       3.4834      0.00000
    150       3.5652      0.00000
    151       3.6438      0.00000
    152       3.6728      0.00000
    153       3.6794      0.00000
    154       3.8926      0.00000
    155       3.9714      0.00000
    156       4.0196      0.00000
    157       4.0775      0.00000
    158       4.2447      0.00000
    159       4.2548      0.00000
    160       4.2681      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1391      1.00000
      2     -22.0464      1.00000
      3     -21.8833      1.00000
      4     -21.3316      1.00000
      5     -20.9759      1.00000
      6     -20.9462      1.00000
      7     -20.4263      1.00000
      8     -20.3940      1.00000
      9     -20.2183      1.00000
     10     -20.2169      1.00000
     11     -19.8819      1.00000
     12     -19.8180      1.00000
     13     -18.8082      1.00000
     14     -18.7375      1.00000
     15     -18.2756      1.00000
     16     -18.2598      1.00000
     17     -18.0772      1.00000
     18     -18.0706      1.00000
     19     -17.7550      1.00000
     20     -17.7372      1.00000
     21     -17.1751      1.00000
     22     -17.1555      1.00000
     23     -17.1420      1.00000
     24     -17.0480      1.00000
     25     -15.9834      1.00000
     26     -15.8315      1.00000
     27     -15.8217      1.00000
     28     -15.7318      1.00000
     29     -15.2219      1.00000
     30     -14.4895      1.00000
     31     -14.4676      1.00000
     32     -14.2698      1.00000
     33     -13.8848      1.00000
     34     -13.8512      1.00000
     35     -13.7211      1.00000
     36     -13.6972      1.00000
     37     -13.5656      1.00000
     38     -13.5373      1.00000
     39     -13.2804      1.00000
     40     -12.5247      1.00000
     41     -12.1314      1.00000
     42     -12.1047      1.00000
     43     -12.0299      1.00000
     44     -11.9828      1.00000
     45     -11.5746      1.00000
     46     -11.5649      1.00000
     47     -11.0838      1.00000
     48     -11.0617      1.00000
     49     -10.7580      1.00000
     50     -10.6922      1.00000
     51     -10.5608      1.00000
     52     -10.1329      1.00000
     53     -10.1295      1.00000
     54     -10.1002      1.00000
     55      -9.9524      1.00000
     56      -9.9054      1.00000
     57      -9.8944      1.00000
     58      -9.7348      1.00000
     59      -9.7165      1.00000
     60      -9.6765      1.00000
     61      -9.6680      1.00000
     62      -9.4115      1.00000
     63      -9.3938      1.00000
     64      -9.0615      1.00000
     65      -8.9860      1.00000
     66      -8.9562      1.00000
     67      -8.9442      1.00000
     68      -8.8209      1.00000
     69      -8.6491      1.00000
     70      -8.6313      1.00000
     71      -8.5497      1.00000
     72      -8.5374      1.00000
     73      -8.5192      1.00000
     74      -8.4236      1.00000
     75      -8.4101      1.00000
     76      -8.2105      1.00000
     77      -8.1020      1.00000
     78      -8.0211      1.00000
     79      -7.9090      1.00000
     80      -7.7605      1.00000
     81      -7.6078      1.00000
     82      -7.5661      1.00000
     83      -7.5027      1.00000
     84      -7.2529      1.00000
     85      -6.8671      1.00000
     86      -6.8075      1.00000
     87      -6.7123      1.00000
     88      -6.5300      1.00000
     89      -6.4986      1.00000
     90      -6.4402      1.00000
     91      -6.3376      1.00000
     92      -6.2155      1.00000
     93      -5.8740      1.00000
     94      -5.7398      1.00000
     95      -5.7074      1.00000
     96      -5.5530      1.00000
     97      -5.3243      1.00000
     98      -5.2296      1.00000
     99      -5.1668      1.00000
    100      -5.1072      1.00000
    101      -4.6674      1.00000
    102      -4.3251      1.00000
    103      -4.2896      1.00000
    104      -4.0274      1.00000
    105      -3.8265      1.00000
    106      -3.1723      1.00000
    107      -2.4691      0.00000
    108      -1.3708      0.00000
    109      -1.2072      0.00000
    110      -1.1597      0.00000
    111      -1.1528      0.00000
    112      -0.5879      0.00000
    113      -0.4891      0.00000
    114      -0.3952      0.00000
    115      -0.2867      0.00000
    116      -0.0662      0.00000
    117       0.0235      0.00000
    118       0.1111      0.00000
    119       0.5453      0.00000
    120       0.6704      0.00000
    121       0.8117      0.00000
    122       0.9547      0.00000
    123       1.1967      0.00000
    124       1.5253      0.00000
    125       1.6416      0.00000
    126       1.8794      0.00000
    127       2.0019      0.00000
    128       2.0606      0.00000
    129       2.0760      0.00000
    130       2.1273      0.00000
    131       2.2196      0.00000
    132       2.2614      0.00000
    133       2.3166      0.00000
    134       2.4251      0.00000
    135       2.6133      0.00000
    136       2.7069      0.00000
    137       2.8441      0.00000
    138       2.9381      0.00000
    139       2.9611      0.00000
    140       3.0078      0.00000
    141       3.0588      0.00000
    142       3.1316      0.00000
    143       3.1723      0.00000
    144       3.2293      0.00000
    145       3.3085      0.00000
    146       3.3234      0.00000
    147       3.3562      0.00000
    148       3.3768      0.00000
    149       3.4294      0.00000
    150       3.4311      0.00000
    151       3.5511      0.00000
    152       3.5977      0.00000
    153       3.6470      0.00000
    154       3.6868      0.00000
    155       3.8641      0.00000
    156       3.9150      0.00000
    157       3.9465      0.00000
    158       3.9712      0.00000
    159       4.1637      0.00000
    160       4.1957      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2118      1.00000
      2     -22.0069      1.00000
      3     -21.6435      1.00000
      4     -21.6117      1.00000
      5     -20.9084      1.00000
      6     -20.8674      1.00000
      7     -20.5390      1.00000
      8     -20.5081      1.00000
      9     -20.4989      1.00000
     10     -19.9660      1.00000
     11     -19.4326      1.00000
     12     -19.4123      1.00000
     13     -19.2327      1.00000
     14     -19.2260      1.00000
     15     -18.3827      1.00000
     16     -18.3479      1.00000
     17     -17.8512      1.00000
     18     -17.8360      1.00000
     19     -17.7032      1.00000
     20     -17.6680      1.00000
     21     -17.3628      1.00000
     22     -17.3491      1.00000
     23     -17.3102      1.00000
     24     -16.3844      1.00000
     25     -16.3600      1.00000
     26     -15.8480      1.00000
     27     -15.3561      1.00000
     28     -15.3504      1.00000
     29     -15.0414      1.00000
     30     -15.0307      1.00000
     31     -14.8377      1.00000
     32     -14.8340      1.00000
     33     -14.1990      1.00000
     34     -14.1484      1.00000
     35     -13.3498      1.00000
     36     -13.2957      1.00000
     37     -13.1349      1.00000
     38     -13.1261      1.00000
     39     -12.8821      1.00000
     40     -12.8755      1.00000
     41     -12.5809      1.00000
     42     -12.5727      1.00000
     43     -12.1040      1.00000
     44     -11.5416      1.00000
     45     -11.4970      1.00000
     46     -11.2776      1.00000
     47     -11.2458      1.00000
     48     -11.0530      1.00000
     49     -10.6959      1.00000
     50     -10.5824      1.00000
     51     -10.5005      1.00000
     52     -10.2418      1.00000
     53     -10.2388      1.00000
     54     -10.1209      1.00000
     55     -10.0541      1.00000
     56     -10.0349      1.00000
     57      -9.7790      1.00000
     58      -9.6631      1.00000
     59      -9.6568      1.00000
     60      -9.6137      1.00000
     61      -9.6005      1.00000
     62      -9.5772      1.00000
     63      -9.2756      1.00000
     64      -9.2713      1.00000
     65      -9.2555      1.00000
     66      -9.0632      1.00000
     67      -8.9087      1.00000
     68      -8.8969      1.00000
     69      -8.7181      1.00000
     70      -8.5838      1.00000
     71      -8.5608      1.00000
     72      -8.3662      1.00000
     73      -8.3292      1.00000
     74      -8.2807      1.00000
     75      -8.2763      1.00000
     76      -8.2362      1.00000
     77      -8.2228      1.00000
     78      -8.1964      1.00000
     79      -8.1146      1.00000
     80      -7.7100      1.00000
     81      -7.4115      1.00000
     82      -7.2587      1.00000
     83      -7.1741      1.00000
     84      -7.0974      1.00000
     85      -7.0749      1.00000
     86      -6.9855      1.00000
     87      -6.8829      1.00000
     88      -6.8293      1.00000
     89      -6.6255      1.00000
     90      -6.4069      1.00000
     91      -6.2972      1.00000
     92      -6.2349      1.00000
     93      -5.9193      1.00000
     94      -5.6624      1.00000
     95      -5.6283      1.00000
     96      -5.5600      1.00000
     97      -5.2996      1.00000
     98      -5.2585      1.00000
     99      -5.1674      1.00000
    100      -5.1209      1.00000
    101      -4.5907      1.00000
    102      -4.2570      1.00000
    103      -4.0416      1.00000
    104      -3.8339      1.00000
    105      -3.8329      1.00000
    106      -3.7611      1.00000
    107      -1.8707      0.00000
    108      -1.8398      0.00000
    109      -1.2396      0.00000
    110      -1.1050      0.00000
    111      -0.9913      0.00000
    112      -0.7559      0.00000
    113      -0.6430      0.00000
    114      -0.5726      0.00000
    115      -0.4969      0.00000
    116      -0.1590      0.00000
    117       0.2144      0.00000
    118       0.3265      0.00000
    119       0.7115      0.00000
    120       0.9580      0.00000
    121       1.1414      0.00000
    122       1.2450      0.00000
    123       1.3629      0.00000
    124       1.5120      0.00000
    125       1.6008      0.00000
    126       1.6083      0.00000
    127       1.6738      0.00000
    128       1.7803      0.00000
    129       1.8710      0.00000
    130       2.0352      0.00000
    131       2.1476      0.00000
    132       2.2846      0.00000
    133       2.4114      0.00000
    134       2.4352      0.00000
    135       2.5767      0.00000
    136       2.6410      0.00000
    137       2.6891      0.00000
    138       2.7000      0.00000
    139       2.7674      0.00000
    140       2.9103      0.00000
    141       3.0531      0.00000
    142       3.0722      0.00000
    143       3.1955      0.00000
    144       3.2822      0.00000
    145       3.4091      0.00000
    146       3.4145      0.00000
    147       3.4612      0.00000
    148       3.5696      0.00000
    149       3.5878      0.00000
    150       3.6350      0.00000
    151       3.6707      0.00000
    152       3.7126      0.00000
    153       3.7354      0.00000
    154       3.7426      0.00000
    155       3.8342      0.00000
    156       3.9081      0.00000
    157       3.9104      0.00000
    158       3.9670      0.00000
    159       4.1860      0.00000
    160       4.2387      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0405   -7.2541    3.9832   -1.1323   -0.1859   17.1692    0.4881   -0.8131    0.7706   -0.4760
x    -3.1210   -0.0255   -0.0212   -0.0256    0.0915   -3.0378    0.0295   -0.0243    0.0083    0.0018
x    -0.0879   -0.0027    0.0035   -0.0031    0.0022   -0.0250    0.0000    0.0000   -0.0001    0.0001
x    -0.0034   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0405    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     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    0.0003    0.0007    0.0027   -0.1136   -0.0320    0.0624    0.0184
y     0.0231   -3.2514   -0.1770    0.1744   -2.4272   -0.6658
z   204.0405    1.7506    0.2902    0.0913   -0.0014    0.0895   -0.0018    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1046    0.0015   -0.0010   -0.0001    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0013   -0.0001    0.0001    0.0000
z    -0.0001    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  -16.6822
z     0.1381    0.2312   -0.0323    0.0580   -0.1040    0.0006
 total charge-density along one line
x   212.0000  -10.0847    5.9302   -1.9412   -0.4215   19.0766   -0.6601    0.2078    0.0670   -0.1066
x    -2.6917   -0.0093    0.0011   -0.0444    0.0970   -2.3358    0.0470   -0.0343    0.0117    0.0024
x    -0.0791   -0.0053    0.0083   -0.0080    0.0054   -0.0391    0.0000   -0.0001    0.0004   -0.0004
x    -0.0052    0.0000   -0.0002    0.0001    0.0000    0.0012   -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  -10.0847    5.9302   -1.9412   -0.4215   19.0766   -0.6601    0.2078    0.0670   -0.1066
y    -2.6917   -0.0093    0.0011   -0.0444    0.0970   -2.3358    0.0470   -0.0343    0.0117    0.0024
y    -0.0791   -0.0053    0.0083   -0.0080    0.0054   -0.0391    0.0000   -0.0001    0.0004   -0.0004
y    -0.0052    0.0000   -0.0002    0.0001    0.0000    0.0012   -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 -205.3057  188.8693 -170.1598  154.0767 -140.3978  126.4927 -111.0078   94.7308  -79.0605
z    64.6938  -51.7625   40.5342  -31.4894   24.7718  -19.8489   15.8512  -12.2050    8.9004   -6.2154
z     4.2854   -2.9544    1.9577   -1.1503    0.5404   -0.1553   -0.0627    0.2229   -0.3848    0.5194
z    -0.5689    0.5253   -0.4413    0.3768   -0.3478    0.3293   -0.2951    0.2451   -0.1975    0.1641
z    -0.1414    0.1196   -0.0959    0.0748   -0.0610    0.0532   -0.0468    0.0391   -0.0314    0.0258
z    -0.0226    0.0202   -0.0173    0.0141   -0.0113    0.0093   -0.0075    0.0058   -0.0043    0.0031
z    -0.0022    0.0013   -0.0004   -0.0002    0.0004   -0.0004    0.0005   -0.0008    0.0009   -0.0007
z     0.0004   -0.0002    0.0001   -0.0001    0.0000    0.0002   -0.0003    0.0003   -0.0003    0.0003
z    -0.0003    0.0003   -0.0002    0.0002   -0.0002    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001
z     0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 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
-10.939   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.268   0.000  -0.101   0.000   0.000   0.239   0.000
  0.041   0.000 -11.244   0.000  -0.024  -0.006   0.000   0.238
  0.000  -0.101   0.000 -11.151   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.936   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.238   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.226   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.199   0.000   0.000   0.000
  0.036   0.000   0.101   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.020   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.025   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.939   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.268   0.000  -0.101   0.000   0.000   0.239   0.000
  0.041   0.000 -11.244   0.000  -0.024  -0.006   0.000   0.238
  0.000  -0.101   0.000 -11.151   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.936   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.238   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.226   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.199   0.000   0.000   0.000
  0.036   0.000   0.101   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.020   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.025   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.960   0.000  -0.026   0.000   0.002   0.022   0.000   0.057   0.000  -0.014  -0.026   0.026   0.000  -0.001   0.000   0.000
  0.000   1.587   0.000  -0.146   0.000   0.000   0.596   0.000   0.261   0.000   0.000   0.000   0.161   0.000   0.106  -0.035
 -0.026   0.000   1.789   0.000   0.018   0.043   0.000   0.357   0.000  -0.026  -0.232  -0.044   0.000   0.096   0.000   0.000
  0.000  -0.146   0.000   1.756   0.000   0.000   0.261   0.000   0.295   0.000   0.000   0.000   0.108   0.000   0.039   0.005
  0.002   0.000   0.018   0.000   1.966  -0.014   0.000  -0.035   0.000   0.003   0.010  -0.015   0.000   0.003   0.000   0.000
  0.022   0.000   0.043   0.000  -0.014   0.063   0.000   0.101   0.000  -0.024   0.192  -0.053   0.000   0.116   0.000   0.000
  0.000   0.596   0.000   0.261   0.000   0.000   0.331   0.000   0.107   0.000   0.000   0.000   0.057   0.000   0.066  -0.011
  0.057   0.000   0.357   0.000  -0.035   0.101   0.000   0.566   0.000  -0.058   0.703  -0.293   0.000   0.090   0.000   0.000
  0.000   0.261   0.000   0.295   0.000   0.000   0.107   0.000   0.208   0.000   0.000   0.000   0.065   0.000  -0.020  -0.006
 -0.014   0.000  -0.026   0.000   0.003  -0.024   0.000  -0.058   0.000   0.036  -0.109   0.031   0.000  -0.068   0.000   0.000
 -0.026   0.000  -0.232   0.000   0.010   0.192   0.000   0.703   0.000  -0.109   1.353  -0.433   0.000   0.267   0.000   0.000
  0.026   0.000  -0.044   0.000  -0.015  -0.053   0.000  -0.293   0.000   0.031  -0.433   0.193   0.000  -0.034   0.000   0.000
  0.000   0.161   0.000   0.108   0.000   0.000   0.057   0.000   0.065   0.000   0.000   0.000   0.044   0.000   0.012  -0.004
 -0.001   0.000   0.096   0.000   0.003   0.116   0.000   0.090   0.000  -0.068   0.267  -0.034   0.000   0.310   0.000   0.000
  0.000   0.106   0.000   0.039   0.000   0.000   0.066   0.000  -0.020   0.000   0.000   0.000   0.012   0.000   0.031  -0.002
  0.000  -0.035   0.000   0.005   0.000   0.000  -0.011   0.000  -0.006   0.000   0.000   0.000  -0.004   0.000  -0.002   0.001
  0.002   0.000  -0.036   0.000  -0.001  -0.005   0.000  -0.009   0.000   0.003  -0.006   0.000   0.000  -0.014   0.000   0.000
  0.000   0.005   0.000  -0.041   0.000   0.000  -0.006   0.000  -0.004   0.000   0.000   0.000  -0.002   0.000  -0.002   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        0.639   0.277   8.029   8.945
  2        0.515   0.028   0.000   0.543
  3        0.515   0.028   0.000   0.543
  4        0.864   1.783   0.000   2.646
  5        0.864   1.783   0.000   2.646
  6        0.864   1.782   0.000   2.646
  7        0.864   1.784   0.000   2.647
  8        0.864   1.783   0.000   2.647
  9        0.864   1.783   0.000   2.647
 10        0.864   1.784   0.000   2.647
 11        0.863   1.783   0.000   2.646
 12        0.864   1.784   0.000   2.648
 13        0.864   1.783   0.000   2.646
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.863   1.776   0.000   2.639
 17        0.856   1.772   0.000   2.629
 18        0.864   1.784   0.000   2.647
 19        0.864   1.782   0.000   2.646
 20        0.864   1.782   0.000   2.645
 21        0.863   1.781   0.000   2.644
 22        0.863   1.776   0.000   2.639
 23        0.863   1.783   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   1.783   0.000   2.647
 29        0.864   1.783   0.000   2.647
 30        0.864   1.783   0.000   2.647
 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   1.782   0.000   2.646
 35        0.863   1.783   0.000   2.646
 36        0.863   1.776   0.000   2.639
 37        0.863   1.781   0.000   2.644
 38        0.864   1.782   0.000   2.645
 39        0.864   1.784   0.000   2.648
 40        0.864   1.784   0.000   2.647
 41        0.856   1.772   0.000   2.629
 42        0.863   1.776   0.000   2.639
 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   2.646
 46        0.864   1.784   0.000   2.648
 47        0.863   1.783   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   1.783   0.000   2.647
 51        0.864   1.784   0.000   2.647
 52        0.864   1.782   0.000   2.646
 53        0.864   1.783   0.000   2.646
------------------------------------------------
tot       44.834  89.428   8.029 142.291
 


 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  116.87: CPU time   58.91
    FORLOC:  VPU time    1.26: CPU time    1.26
    FORNL :  VPU time  460.84: CPU time  231.40
    STRESS:  VPU time 1334.42: CPU time  670.55
    FORCOR:  VPU time    8.67: CPU time    8.67
    FORHAR:  VPU time    2.29: CPU time    2.29
    MIXING:  VPU time    0.22: CPU time    0.21
 d Force =-0.3951503E-01[-0.101E+00, 0.221E-01]  d Energy =-0.4621775E-01 0.670E-02
 d Force = 0.1661150E+01[ 0.137E+01, 0.196E+01]  d Ewald  = 0.1577181E+02-0.141E+02


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.594777 eV

  energy  without entropy=     -471.594777  energy(sigma->0) =     -471.594777
 

  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    40692.27  40755.75 -47416.40     54.97      0.00      0.00
  Hartree  40178.55  40189.20 -39436.17      9.22      0.00      0.00
  E(xc)     -779.80   -779.46   -807.25      0.30      0.00      0.00
  Local   -83168.54 -83227.53  84170.07    -51.09      0.00      0.00
  n-local   -215.67   -215.67   -203.78     -0.24      0.00      0.00
  augment     22.14     20.50     17.35     -1.42      0.00      0.00
  Kinetic   3170.33   3169.47   3582.12     -8.96      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -3.13      2.53     -0.13      4.90      0.00      0.00
  in kB       -1.90      1.54     -0.08      2.97      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
    12.356919804 -0.012807530  0.000000000     0.080974888  0.046862912  0.000000000
    -6.189558191 10.694998739  0.000000000     0.000096969  0.093557767  0.000000000
     0.000000000  0.000000000 19.973518958     0.000000000  0.000000000  0.050066290

  length of vectors
    12.356926442 12.356926342 19.973518958     0.093557816  0.093557817  0.050066290


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.699E-05 -.439E-04 -.960E+03   0.428E-05 -.275E-04 0.967E+03   0.254E-20 0.000E+00 -.788E+01   -.288E-06 0.166E-06 -.100E-01
   -.176E+02 -.304E+02 -.136E+03   0.184E+02 0.319E+02 0.139E+03   -.831E+00 -.144E+01 -.259E+01   0.240E-03 0.415E-03 0.463E-03
   0.176E+02 0.304E+02 -.136E+03   -.184E+02 -.319E+02 0.139E+03   0.831E+00 0.144E+01 -.259E+01   -.240E-03 -.415E-03 0.463E-03
   -.342E+01 0.198E+01 0.169E+02   0.369E+01 -.213E+01 -.169E+02   0.128E+00 -.740E-01 -.634E-02   -.551E-03 0.316E-03 -.103E-02
   0.432E+01 0.780E+01 0.196E+02   -.407E+01 -.799E+01 -.196E+02   0.140E+00 -.489E-01 -.210E-01   -.352E-02 0.132E-02 -.134E-02
   0.986E+01 0.574E+01 0.183E+02   -.964E+01 -.589E+01 -.183E+02   0.151E+00 -.651E-01 -.558E-01   -.397E-02 0.433E-02 -.625E-03
   0.308E+01 -.271E+00 0.163E+02   -.284E+01 0.155E+00 -.163E+02   0.153E+00 -.851E-01 -.185E-02   -.146E-02 0.157E-02 0.111E-03
   -.440E+01 -.149E+01 0.149E+02   0.466E+01 0.136E+01 -.149E+02   0.119E+00 -.897E-01 -.210E-02   0.102E-03 -.664E-03 -.276E-03
   -.907E+00 0.455E+01 0.149E+02   0.115E+01 -.472E+01 -.149E+02   0.137E+00 -.582E-01 -.210E-02   0.622E-03 0.239E-03 -.279E-03
   0.127E+01 0.189E+02 0.246E+02   -.103E+01 -.191E+02 -.246E+02   0.143E+00 0.443E-01 -.105E-01   0.884E-03 0.108E-03 -.138E-02
   0.202E+02 0.235E+02 0.400E+02   -.201E+02 -.239E+02 -.400E+02   0.239E+00 0.152E+00 -.140E-01   -.326E-02 0.519E-02 -.162E-02
   0.250E+02 -.364E+01 0.269E+02   -.250E+02 0.361E+01 -.269E+02   0.377E+00 -.201E+00 -.518E-01   -.250E-02 0.395E-02 -.178E-03
   0.753E+01 -.435E+01 0.154E+02   -.729E+01 0.421E+01 -.154E+02   0.157E+00 -.906E-01 0.229E-02   -.382E-03 0.216E-03 0.290E-03
   0.177E+01 -.253E+01 0.163E+02   -.156E+01 0.238E+01 -.163E+02   0.150E+00 -.900E-01 -.185E-02   -.209E-02 0.474E-03 0.103E-03
   -.744E+01 0.140E+02 0.201E+02   0.769E+01 -.142E+02 -.201E+02   0.120E+00 -.499E-03 -.871E-02   0.189E-03 0.285E-02 -.104E-03
   -.139E+02 0.343E+02 0.462E+02   0.142E+02 -.351E+02 -.466E+02   0.381E-01 0.610E+00 0.349E+00   0.333E-02 0.572E-03 -.113E-02
   0.254E+02 -.147E+02 0.694E+02   -.261E+02 0.151E+02 -.715E+02   0.109E+01 -.629E+00 0.208E+01   -.516E-02 0.298E-02 -.232E-02
   0.157E+02 -.198E+02 0.269E+02   -.156E+02 0.198E+02 -.269E+02   0.363E+00 -.226E+00 -.518E-01   -.467E-02 0.184E-03 -.183E-03
   -.368E-01 -.114E+02 0.183E+02   0.280E+00 0.113E+02 -.183E+02   0.132E+00 -.985E-01 -.558E-01   -.573E-02 0.128E-02 -.630E-03
   -.520E+01 0.247E+01 0.144E+02   0.546E+01 -.263E+01 -.143E+02   0.124E+00 -.791E-01 -.404E-01   -.392E-02 0.244E-02 0.160E-03
   -.197E+02 0.114E+02 0.211E+02   0.201E+02 -.116E+02 -.209E+02   0.765E-01 -.442E-01 -.130E+00   -.269E-02 0.156E-02 0.288E-03
   -.366E+02 -.516E+01 0.462E+02   0.375E+02 0.526E+01 -.466E+02   -.510E+00 -.338E+00 0.349E+00   0.117E-02 -.317E-02 -.113E-02
   -.102E+02 -.293E+02 0.400E+02   0.106E+02 0.294E+02 -.400E+02   -.125E-01 -.283E+00 -.140E-01   -.612E-02 0.224E-03 -.162E-02
   -.460E+01 -.764E+01 0.196E+02   0.489E+01 0.752E+01 -.196E+02   0.112E+00 -.968E-01 -.210E-01   -.290E-02 0.238E-02 -.134E-02
   -.162E+00 0.934E-01 0.146E+02   0.423E+00 -.244E+00 -.146E+02   0.133E+00 -.769E-01 -.313E-01   -.426E-02 0.246E-02 -.490E-03
   -.474E+01 0.327E+01 0.144E+02   0.500E+01 -.341E+01 -.143E+02   0.131E+00 -.681E-01 -.404E-01   -.407E-02 0.218E-02 0.164E-03
   -.158E+02 -.561E+00 0.201E+02   0.162E+02 0.457E+00 -.201E+02   0.606E-01 -.104E+00 -.871E-02   -.237E-02 -.159E-02 -.972E-04
   -.157E+02 -.105E+02 0.246E+02   0.161E+02 0.105E+02 -.246E+02   0.329E-01 -.146E+00 -.105E-01   0.349E-03 -.824E-03 -.138E-02
   0.460E+01 0.764E+01 0.196E+02   -.489E+01 -.752E+01 -.196E+02   -.112E+00 0.968E-01 -.210E-01   0.290E-02 -.238E-02 -.134E-02
   0.157E+02 0.105E+02 0.246E+02   -.161E+02 -.105E+02 -.246E+02   -.329E-01 0.146E+00 -.105E-01   -.350E-03 0.824E-03 -.138E-02
   0.158E+02 0.561E+00 0.201E+02   -.162E+02 -.457E+00 -.201E+02   -.606E-01 0.104E+00 -.871E-02   0.237E-02 0.159E-02 -.972E-04
   0.474E+01 -.327E+01 0.144E+02   -.500E+01 0.341E+01 -.143E+02   -.131E+00 0.681E-01 -.404E-01   0.407E-02 -.218E-02 0.164E-03
   0.162E+00 -.934E-01 0.146E+02   -.423E+00 0.244E+00 -.146E+02   -.133E+00 0.769E-01 -.313E-01   0.426E-02 -.246E-02 -.490E-03
   0.367E-01 0.114E+02 0.183E+02   -.280E+00 -.113E+02 -.183E+02   -.132E+00 0.985E-01 -.558E-01   0.573E-02 -.128E-02 -.630E-03
   0.102E+02 0.293E+02 0.400E+02   -.106E+02 -.294E+02 -.400E+02   0.125E-01 0.283E+00 -.140E-01   0.612E-02 -.224E-03 -.162E-02
   0.366E+02 0.516E+01 0.462E+02   -.375E+02 -.526E+01 -.466E+02   0.510E+00 0.338E+00 0.349E+00   -.117E-02 0.317E-02 -.113E-02
   0.197E+02 -.114E+02 0.211E+02   -.201E+02 0.116E+02 -.209E+02   -.765E-01 0.442E-01 -.130E+00   0.269E-02 -.156E-02 0.287E-03
   0.520E+01 -.246E+01 0.144E+02   -.546E+01 0.263E+01 -.143E+02   -.124E+00 0.791E-01 -.404E-01   0.392E-02 -.244E-02 0.160E-03
   -.177E+01 0.253E+01 0.163E+02   0.156E+01 -.238E+01 -.163E+02   -.150E+00 0.900E-01 -.185E-02   0.209E-02 -.475E-03 0.103E-03
   -.157E+02 0.198E+02 0.269E+02   0.156E+02 -.198E+02 -.269E+02   -.363E+00 0.226E+00 -.518E-01   0.467E-02 -.185E-03 -.183E-03
   -.254E+02 0.147E+02 0.694E+02   0.261E+02 -.151E+02 -.715E+02   -.109E+01 0.629E+00 0.208E+01   0.516E-02 -.298E-02 -.232E-02
   0.139E+02 -.343E+02 0.462E+02   -.142E+02 0.351E+02 -.466E+02   -.381E-01 -.610E+00 0.349E+00   -.333E-02 -.572E-03 -.113E-02
   0.744E+01 -.140E+02 0.201E+02   -.769E+01 0.142E+02 -.201E+02   -.120E+00 0.499E-03 -.871E-02   -.189E-03 -.285E-02 -.104E-03
   0.907E+00 -.455E+01 0.149E+02   -.115E+01 0.472E+01 -.149E+02   -.137E+00 0.582E-01 -.210E-02   -.622E-03 -.239E-03 -.279E-03
   -.754E+01 0.435E+01 0.154E+02   0.729E+01 -.421E+01 -.154E+02   -.157E+00 0.906E-01 0.229E-02   0.383E-03 -.216E-03 0.290E-03
   -.250E+02 0.364E+01 0.269E+02   0.250E+02 -.361E+01 -.269E+02   -.377E+00 0.201E+00 -.518E-01   0.250E-02 -.395E-02 -.178E-03
   -.202E+02 -.235E+02 0.400E+02   0.201E+02 0.239E+02 -.400E+02   -.239E+00 -.152E+00 -.140E-01   0.326E-02 -.519E-02 -.162E-02
   -.127E+01 -.189E+02 0.246E+02   0.103E+01 0.191E+02 -.246E+02   -.143E+00 -.443E-01 -.105E-01   -.884E-03 -.108E-03 -.138E-02
   0.342E+01 -.198E+01 0.169E+02   -.369E+01 0.213E+01 -.169E+02   -.128E+00 0.740E-01 -.634E-02   0.551E-03 -.315E-03 -.103E-02
   0.440E+01 0.149E+01 0.149E+02   -.466E+01 -.136E+01 -.149E+02   -.119E+00 0.897E-01 -.210E-02   -.102E-03 0.664E-03 -.276E-03
   -.308E+01 0.271E+00 0.163E+02   0.284E+01 -.155E+00 -.163E+02   -.153E+00 0.851E-01 -.185E-02   0.146E-02 -.157E-02 0.111E-03
   -.986E+01 -.574E+01 0.183E+02   0.964E+01 0.589E+01 -.183E+02   -.151E+00 0.651E-01 -.558E-01   0.397E-02 -.433E-02 -.625E-03
   -.432E+01 -.780E+01 0.196E+02   0.407E+01 0.799E+01 -.196E+02   -.140E+00 0.489E-01 -.210E-01   0.352E-02 -.132E-02 -.134E-02
 -----------------------------------------------------------------------------------------------
   -.216E-02 0.536E-03 0.870E+01   -.897E-13 0.888E-14 -.178E-12   -.555E-16 -.132E-15 -.865E+01   -.285E-06 0.158E-06 -.411E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.84725      6.05495     12.33138         0.000000      0.000000     -0.033759
      2.25390      6.75929     13.64952         0.016535      0.028639      0.036554
      1.44060      5.35061     13.64952        -0.016535     -0.028639      0.036554
     -0.00291      0.00168      9.95620         0.390789     -0.225622     -0.003332
     11.11474      2.12713      9.95802         0.389507     -0.236019     -0.005568
      9.87602      4.26652      9.96952         0.373119     -0.211512     -0.000846
      8.63912      6.40595      9.96844         0.384788     -0.199728      0.001837
     -4.95340      8.55808      9.96431         0.384472     -0.223265     -0.001348
      2.46871     -0.00209      9.96431         0.385589     -0.221330     -0.001348
      1.22973      2.13486      9.96921         0.386067     -0.192737     -0.002896
     -0.01204      4.27430      9.99732         0.348199     -0.221086      0.002656
     -1.25037      6.41566     10.00316         0.393232     -0.233098      0.013230
     -2.48269      8.55484      9.97672         0.405556     -0.234148      0.003951
      4.93922     -0.00248      9.96844         0.365364     -0.233372      0.001837
      3.70204      2.13273      9.97631         0.368902     -0.219748     -0.000752
      2.46420      4.25937     10.04100         0.386988     -0.202177     -0.009178
      1.21888      6.41774     10.11287         0.328197     -0.189484      0.004029
     -0.01394      8.55721     10.00316         0.398485     -0.224000      0.013230
      7.41047     -0.00395      9.96952         0.369734     -0.217374     -0.000846
      6.17242      2.13367      9.96962         0.374460     -0.237608     -0.002553
      4.93554      4.27192      9.99765         0.402982     -0.232662     -0.009156
      3.71075      6.41845     10.04100         0.368584     -0.234053     -0.009178
      2.45969      8.55547      9.99732         0.365566     -0.191006      0.002656
      9.88259     -0.00701      9.95802         0.399152     -0.219313     -0.005568
      8.64338      2.13120      9.96082         0.389737     -0.225015     -0.004331
      7.40576      4.26989      9.96962         0.393004     -0.205488     -0.002553
      6.17138      6.40977      9.97631         0.374758     -0.209604     -0.000752
      4.93339      8.54978      9.96921         0.359949     -0.237975     -0.002896
      0.00147      1.42191      9.95802        -0.399152      0.219313     -0.005568
     -1.23889      3.56012      9.96921        -0.359949      0.237975     -0.002896
     -2.47689      5.70013      9.97631        -0.374758      0.209604     -0.000752
     -3.71126      7.84001      9.96962        -0.393004      0.205488     -0.002553
     -4.94889      9.97870      9.96082        -0.389737      0.225015     -0.004331
      2.47359      1.41885      9.96952        -0.369734      0.217374     -0.000846
      1.23481      3.55443      9.99732        -0.365566      0.191006      0.002656
     -0.01625      5.69145     10.04100        -0.368584      0.234053     -0.009178
     -1.24105      7.83798      9.99765        -0.402982      0.232662     -0.009156
     -2.47792      9.97623      9.96962        -0.374460      0.237608     -0.002553
      4.94484      1.41738      9.96844        -0.365364      0.233372      0.001837
      3.70844      3.55268     10.00316        -0.398485      0.224000      0.013230
      2.47561      5.69216     10.11287        -0.328197      0.189484      0.004029
      1.23030      7.85053     10.04100        -0.386988      0.202177     -0.009178
     -0.00754      9.97717      9.97631        -0.368902      0.219748     -0.000752
      7.41535      1.41699      9.96431        -0.385589      0.221330     -0.001348
      6.17719      3.55506      9.97672        -0.405556      0.234148      0.003951
      4.94487      5.69424     10.00316        -0.393232      0.233098      0.013230
      3.70654      7.83560      9.99732        -0.348199      0.221086      0.002656
      2.46477      9.97504      9.96921        -0.386067      0.192737     -0.002896
      9.88697      1.41322      9.95620        -0.390789      0.225622     -0.003332
      8.64789      3.55182      9.96431        -0.384472      0.223265     -0.001348
      7.41230      5.69115      9.96844        -0.384788      0.199728      0.001837
      6.17540      7.83058      9.96952        -0.373119      0.211512     -0.000846
      4.93668      9.96996      9.95802        -0.389507      0.236019     -0.005568
 -----------------------------------------------------------------------------------
    total drift:                               -0.002165      0.000536      0.001160


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


 Steepest descent step on ions:
 trial-energy change:    0.046218  1 .order    0.046484   -0.032074    0.125042
  (g-gl).g = 0.321E-01      g.g   = 0.321E-01  gl.gl    = 0.000E+00
 g(Force)  = 0.220E-01   g(Stress)= 0.101E-01 ortho     = 0.000E+00
 gamma     =   0.00000
 trial     =   1.00000
 opt step  =   0.20414  (harmonic =   0.20414) maximal distance =0.00089380
 next E    =  -471.644269   (d E  =  -0.00327)


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


    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  183.84: CPU time   92.01
     LOOP+:  VPU time11688.22: CPU time 6028.53


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


    POTLOK:  VPU time    9.20: CPU time    9.02
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1812.72: CPU time  935.20
 BZINTS: Fermi energy: -3.152063;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  117.06: CPU time   59.02
    MIXING:  VPU time    0.16: CPU time    0.16
    ------------------------------------------
      LOOP:  VPU time 1939.55: CPU time 1003.78

 eigenvalue-minimisations  :  5984
 total energy-change (2. order) :-0.4716508E+03  (-0.2714791E+00)
 number of electron  212.0000029 magnetization    0.0000000
 augmentation part     7.9596591 magnetization    0.0000001

 Broyden mixing:
  rms(total) = 0.56870E-01    rms(broyden)= 0.56840E-01
  rms(prec ) = 0.60813E-01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34044.10500191
  -1/2 Hartree   DENC   =    -40943.36009435
  -V(xc)+E(xc)   XCENC  =       726.58574308
  PAW double counting   =      4092.79308838    -4131.17537257
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2466.03897935
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.65075930 eV

  energy without entropy =     -471.65075930  energy(sigma->0) =     -471.65075930


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




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


    POTLOK:  VPU time    9.15: CPU time    9.16
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1896.90: CPU time  977.10
 BZINTS: Fermi energy: -3.154573;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  115.00: CPU time   57.91
    MIXING:  VPU time    0.17: CPU time    0.17
    ------------------------------------------
      LOOP:  VPU time 2021.65: CPU time 1044.72

 eigenvalue-minimisations  :  6256
 total energy-change (2. order) : 0.1637152E-02  (-0.7537225E-02)
 number of electron  212.0000029 magnetization    0.0000000
 augmentation part     7.9601999 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.39721E-01    rms(broyden)= 0.39718E-01
  rms(prec ) = 0.42208E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.4776
  2.4776

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34044.10500191
  -1/2 Hartree   DENC   =    -40943.55747609
  -V(xc)+E(xc)   XCENC  =       726.58941025
  PAW double counting   =      4092.77643428    -4131.16038665
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.84195945
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64912215 eV

  energy without entropy =     -471.64912215  energy(sigma->0) =     -471.64912215


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




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


    POTLOK:  VPU time    9.03: CPU time    9.03
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1834.62: CPU time  943.64
 BZINTS: Fermi energy: -3.152128;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  115.11: CPU time   57.91
    MIXING:  VPU time    0.19: CPU time    0.19
    ------------------------------------------
      LOOP:  VPU time 1959.36: CPU time 1011.15

 eigenvalue-minimisations  :  6056
 total energy-change (2. order) : 0.4721841E-02  (-0.1747917E-02)
 number of electron  212.0000029 magnetization    0.0000000
 augmentation part     7.9600668 magnetization    0.0000001

 Broyden mixing:
  rms(total) = 0.72595E-02    rms(broyden)= 0.72570E-02
  rms(prec ) = 0.78560E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5757
  2.0192  1.1322

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34044.10500191
  -1/2 Hartree   DENC   =    -40944.12327557
  -V(xc)+E(xc)   XCENC  =       726.60602857
  PAW double counting   =      4092.98643621    -4131.37431100
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.28413402
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64440031 eV

  energy without entropy =     -471.64440031  energy(sigma->0) =     -471.64440031


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




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


    POTLOK:  VPU time    9.03: CPU time    9.04
    SETDIJ:  VPU time    0.35: CPU time    0.34
    EDDAV :  VPU time 1975.40: CPU time 1016.90
 BZINTS: Fermi energy: -3.153606;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  116.69: CPU time   58.82
    MIXING:  VPU time    0.21: CPU time    0.20
    ------------------------------------------
      LOOP:  VPU time 2101.74: CPU time 1085.34

 eigenvalue-minimisations  :  6584
 total energy-change (2. order) : 0.1508287E-04  (-0.2693739E-03)
 number of electron  212.0000029 magnetization    0.0000000
 augmentation part     7.9599819 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.22452E-02    rms(broyden)= 0.22452E-02
  rms(prec ) = 0.23545E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8142
  1.2858  1.6115  2.5453

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34044.10500191
  -1/2 Hartree   DENC   =    -40944.06088946
  -V(xc)+E(xc)   XCENC  =       726.60351996
  PAW double counting   =      4092.87942753    -4131.26620052
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.34509825
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64438523 eV

  energy without entropy =     -471.64438523  energy(sigma->0) =     -471.64438523


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




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


    POTLOK:  VPU time    9.16: CPU time    9.16
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1382.65: CPU time  711.78
 BZINTS: Fermi energy: -3.154085;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1392.23: CPU time  721.32

 eigenvalue-minimisations  :  4032
 total energy-change (2. order) :-0.2508190E-05  (-0.5020896E-05)
 number of electron  212.0000029 magnetization    0.0000000
 augmentation part     7.9599819 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34044.10500191
  -1/2 Hartree   DENC   =    -40944.13966519
  -V(xc)+E(xc)   XCENC  =       726.60442103
  PAW double counting   =      4092.80747557    -4131.19304258
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.26843207
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64438774 eV

  energy without entropy =     -471.64438774  energy(sigma->0) =     -471.64438774


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




 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 -58.5427       2 -39.9846       3 -39.9846       4 -58.2440       5 -58.2482
       6 -58.2560       7 -58.2471       8 -58.2449       9 -58.2449      10 -58.2604
      11 -58.3149      12 -58.2935      13 -58.2504      14 -58.2470      15 -58.2582
      16 -58.4388      17 -58.7326      18 -58.2935      19 -58.2560      20 -58.2507
      21 -58.2784      22 -58.4389      23 -58.3150      24 -58.2482      25 -58.2435
      26 -58.2507      27 -58.2582      28 -58.2605      29 -58.2481      30 -58.2603
      31 -58.2581      32 -58.2506      33 -58.2434      34 -58.2559      35 -58.3148
      36 -58.4388      37 -58.2783      38 -58.2506      39 -58.2469      40 -58.2933
      41 -58.7325      42 -58.4388      43 -58.2581      44 -58.2448      45 -58.2502
      46 -58.2934      47 -58.3149      48 -58.2604      49 -58.2439      50 -58.2448
      51 -58.2469      52 -58.2559      53 -58.2481
 
 
 
 E-fermi :  -3.1541     XC(G=0):  -2.3418     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     -22.3561      1.00000
      2     -21.5365      1.00000
      3     -21.4065      1.00000
      4     -21.4061      1.00000
      5     -21.3751      1.00000
      6     -21.3649      1.00000
      7     -21.3579      1.00000
      8     -19.6465      1.00000
      9     -19.5706      1.00000
     10     -19.5665      1.00000
     11     -19.5572      1.00000
     12     -19.5395      1.00000
     13     -19.5381      1.00000
     14     -18.7288      1.00000
     15     -18.6768      1.00000
     16     -18.6735      1.00000
     17     -18.6596      1.00000
     18     -18.6439      1.00000
     19     -18.6392      1.00000
     20     -16.5886      1.00000
     21     -16.5238      1.00000
     22     -16.5230      1.00000
     23     -16.5136      1.00000
     24     -16.4858      1.00000
     25     -16.4844      1.00000
     26     -15.5574      1.00000
     27     -15.5270      1.00000
     28     -15.5258      1.00000
     29     -15.5003      1.00000
     30     -15.4930      1.00000
     31     -15.4891      1.00000
     32     -14.2054      1.00000
     33     -14.1807      1.00000
     34     -14.1698      1.00000
     35     -14.1674      1.00000
     36     -14.1567      1.00000
     37     -14.1471      1.00000
     38     -11.8843      1.00000
     39     -11.8081      1.00000
     40     -11.7933      1.00000
     41     -11.7916      1.00000
     42     -11.7886      1.00000
     43     -11.7828      1.00000
     44     -11.7077      1.00000
     45     -11.6956      1.00000
     46     -11.6693      1.00000
     47     -11.6642      1.00000
     48     -11.6568      1.00000
     49     -11.6470      1.00000
     50     -10.6752      1.00000
     51     -10.3281      1.00000
     52     -10.3218      1.00000
     53     -10.3064      1.00000
     54     -10.3023      1.00000
     55     -10.2919      1.00000
     56     -10.2778      1.00000
     57      -9.9287      1.00000
     58      -9.3728      1.00000
     59      -9.3597      1.00000
     60      -9.3005      1.00000
     61      -9.2912      1.00000
     62      -9.2848      1.00000
     63      -9.0888      1.00000
     64      -9.0637      1.00000
     65      -9.0464      1.00000
     66      -9.0300      1.00000
     67      -9.0037      1.00000
     68      -9.0014      1.00000
     69      -8.9985      1.00000
     70      -8.9959      1.00000
     71      -8.9926      1.00000
     72      -8.9683      1.00000
     73      -8.9682      1.00000
     74      -8.9527      1.00000
     75      -8.5007      1.00000
     76      -7.5185      1.00000
     77      -7.4149      1.00000
     78      -7.4069      1.00000
     79      -7.4006      1.00000
     80      -7.3815      1.00000
     81      -7.3596      1.00000
     82      -7.3407      1.00000
     83      -7.3124      1.00000
     84      -7.2694      1.00000
     85      -7.2055      1.00000
     86      -7.1802      1.00000
     87      -7.1799      1.00000
     88      -7.0757      1.00000
     89      -6.5082      1.00000
     90      -6.4625      1.00000
     91      -6.3566      1.00000
     92      -6.2943      1.00000
     93      -6.2869      1.00000
     94      -6.2855      1.00000
     95      -5.8924      1.00000
     96      -5.8897      1.00000
     97      -5.0508      1.00000
     98      -4.9393      1.00000
     99      -4.5404      1.00000
    100      -4.3422      1.00000
    101      -4.3179      1.00000
    102      -4.3166      1.00000
    103      -4.1162      1.00000
    104      -3.9138      1.00000
    105      -3.9000      1.00000
    106      -3.8361      1.00000
    107      -1.6828      0.00000
    108      -1.6676      0.00000
    109      -1.5373      0.00000
    110      -1.5337      0.00000
    111      -1.5227      0.00000
    112      -1.5094      0.00000
    113      -0.5859      0.00000
    114       0.1367      0.00000
    115       0.2038      0.00000
    116       0.3244      0.00000
    117       0.3285      0.00000
    118       0.3324      0.00000
    119       0.4943      0.00000
    120       0.5947      0.00000
    121       1.2605      0.00000
    122       1.2758      0.00000
    123       1.5278      0.00000
    124       1.7944      0.00000
    125       1.8031      0.00000
    126       1.8065      0.00000
    127       1.8092      0.00000
    128       1.9458      0.00000
    129       1.9768      0.00000
    130       2.0312      0.00000
    131       2.0449      0.00000
    132       2.0507      0.00000
    133       2.0546      0.00000
    134       2.0606      0.00000
    135       2.3099      0.00000
    136       2.3224      0.00000
    137       2.6096      0.00000
    138       2.6239      0.00000
    139       2.6440      0.00000
    140       2.7344      0.00000
    141       2.8578      0.00000
    142       3.0301      0.00000
    143       3.0663      0.00000
    144       3.0718      0.00000
    145       3.0863      0.00000
    146       3.1051      0.00000
    147       3.1146      0.00000
    148       3.2328      0.00000
    149       3.4450      0.00000
    150       3.5546      0.00000
    151       3.7905      0.00000
    152       3.9509      0.00000
    153       3.9535      0.00000
    154       3.9741      0.00000
    155       3.9820      0.00000
    156       4.0045      0.00000
    157       4.1780      0.00000
    158       4.2751      0.00000
    159       4.2842      0.00000
    160       4.2850      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3195      1.00000
      2     -21.7612      1.00000
      3     -21.5701      1.00000
      4     -21.5373      1.00000
      5     -21.2073      1.00000
      6     -21.1625      1.00000
      7     -20.9873      1.00000
      8     -20.1019      1.00000
      9     -20.0575      1.00000
     10     -19.5451      1.00000
     11     -19.5202      1.00000
     12     -19.3500      1.00000
     13     -19.0253      1.00000
     14     -18.9879      1.00000
     15     -18.9816      1.00000
     16     -18.9688      1.00000
     17     -18.2975      1.00000
     18     -18.2763      1.00000
     19     -17.9537      1.00000
     20     -17.0116      1.00000
     21     -16.9607      1.00000
     22     -16.8820      1.00000
     23     -16.8644      1.00000
     24     -16.4043      1.00000
     25     -16.3864      1.00000
     26     -15.5495      1.00000
     27     -15.5353      1.00000
     28     -15.1976      1.00000
     29     -15.1704      1.00000
     30     -15.1165      1.00000
     31     -15.0295      1.00000
     32     -15.0032      1.00000
     33     -14.6349      1.00000
     34     -14.6225      1.00000
     35     -13.6671      1.00000
     36     -13.6501      1.00000
     37     -13.1724      1.00000
     38     -12.5531      1.00000
     39     -12.5177      1.00000
     40     -12.3928      1.00000
     41     -12.3785      1.00000
     42     -12.0582      1.00000
     43     -12.0333      1.00000
     44     -11.6560      1.00000
     45     -11.6133      1.00000
     46     -11.1783      1.00000
     47     -11.1576      1.00000
     48     -10.9668      1.00000
     49     -10.9433      1.00000
     50     -10.8721      1.00000
     51     -10.8352      1.00000
     52     -10.6030      1.00000
     53     -10.0944      1.00000
     54     -10.0915      1.00000
     55     -10.0477      1.00000
     56      -9.9723      1.00000
     57      -9.6533      1.00000
     58      -9.6332      1.00000
     59      -9.5909      1.00000
     60      -9.5313      1.00000
     61      -9.5050      1.00000
     62      -9.4792      1.00000
     63      -9.2662      1.00000
     64      -9.2462      1.00000
     65      -9.2189      1.00000
     66      -9.1614      1.00000
     67      -9.0698      1.00000
     68      -9.0544      1.00000
     69      -9.0361      1.00000
     70      -8.8829      1.00000
     71      -8.8014      1.00000
     72      -8.5764      1.00000
     73      -8.5236      1.00000
     74      -8.4589      1.00000
     75      -8.0392      1.00000
     76      -7.8130      1.00000
     77      -7.8069      1.00000
     78      -7.7889      1.00000
     79      -7.7042      1.00000
     80      -7.6900      1.00000
     81      -7.3659      1.00000
     82      -7.2769      1.00000
     83      -7.2615      1.00000
     84      -7.2170      1.00000
     85      -7.1731      1.00000
     86      -7.0095      1.00000
     87      -6.9432      1.00000
     88      -6.7466      1.00000
     89      -6.6721      1.00000
     90      -6.5942      1.00000
     91      -6.5599      1.00000
     92      -6.0541      1.00000
     93      -6.0463      1.00000
     94      -6.0217      1.00000
     95      -5.9565      1.00000
     96      -5.7379      1.00000
     97      -5.1578      1.00000
     98      -4.9918      1.00000
     99      -4.7205      1.00000
    100      -4.6111      1.00000
    101      -4.4401      1.00000
    102      -4.3748      1.00000
    103      -4.1230      1.00000
    104      -3.8689      1.00000
    105      -3.8358      1.00000
    106      -3.7892      1.00000
    107      -1.7854      0.00000
    108      -1.7391      0.00000
    109      -1.3958      0.00000
    110      -1.3445      0.00000
    111      -1.2645      0.00000
    112      -1.2264      0.00000
    113      -0.7466      0.00000
    114      -0.3806      0.00000
    115      -0.2165      0.00000
    116      -0.0195      0.00000
    117       0.5907      0.00000
    118       0.7371      0.00000
    119       0.7632      0.00000
    120       1.0492      0.00000
    121       1.1410      0.00000
    122       1.2501      0.00000
    123       1.2720      0.00000
    124       1.4150      0.00000
    125       1.4775      0.00000
    126       1.5860      0.00000
    127       1.7599      0.00000
    128       1.8381      0.00000
    129       1.8963      0.00000
    130       1.9588      0.00000
    131       2.1045      0.00000
    132       2.2385      0.00000
    133       2.2469      0.00000
    134       2.2952      0.00000
    135       2.4855      0.00000
    136       2.6179      0.00000
    137       2.6367      0.00000
    138       2.7664      0.00000
    139       2.8008      0.00000
    140       2.8590      0.00000
    141       2.8704      0.00000
    142       2.8922      0.00000
    143       2.9616      0.00000
    144       3.0838      0.00000
    145       3.2871      0.00000
    146       3.3040      0.00000
    147       3.3759      0.00000
    148       3.4072      0.00000
    149       3.4700      0.00000
    150       3.5929      0.00000
    151       3.6368      0.00000
    152       3.6837      0.00000
    153       3.7157      0.00000
    154       3.9085      0.00000
    155       3.9385      0.00000
    156       3.9840      0.00000
    157       4.0837      0.00000
    158       4.1995      0.00000
    159       4.2590      0.00000
    160       4.2974      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2140      1.00000
      2     -22.0076      1.00000
      3     -21.6487      1.00000
      4     -21.6116      1.00000
      5     -20.9128      1.00000
      6     -20.8663      1.00000
      7     -20.5457      1.00000
      8     -20.5069      1.00000
      9     -20.4955      1.00000
     10     -19.9642      1.00000
     11     -19.4415      1.00000
     12     -19.4139      1.00000
     13     -19.2406      1.00000
     14     -19.2257      1.00000
     15     -18.3852      1.00000
     16     -18.3406      1.00000
     17     -17.8609      1.00000
     18     -17.8370      1.00000
     19     -17.6993      1.00000
     20     -17.6563      1.00000
     21     -17.3739      1.00000
     22     -17.3533      1.00000
     23     -17.2767      1.00000
     24     -16.3992      1.00000
     25     -16.3839      1.00000
     26     -15.8977      1.00000
     27     -15.3498      1.00000
     28     -15.3366      1.00000
     29     -15.0321      1.00000
     30     -15.0202      1.00000
     31     -14.8007      1.00000
     32     -14.7763      1.00000
     33     -14.2243      1.00000
     34     -14.1905      1.00000
     35     -13.3736      1.00000
     36     -13.3377      1.00000
     37     -13.1204      1.00000
     38     -13.1005      1.00000
     39     -12.9170      1.00000
     40     -12.9035      1.00000
     41     -12.5577      1.00000
     42     -12.5369      1.00000
     43     -12.1363      1.00000
     44     -11.5192      1.00000
     45     -11.4704      1.00000
     46     -11.2515      1.00000
     47     -11.2165      1.00000
     48     -11.0829      1.00000
     49     -10.6587      1.00000
     50     -10.5891      1.00000
     51     -10.5225      1.00000
     52     -10.2661      1.00000
     53     -10.2456      1.00000
     54     -10.1223      1.00000
     55     -10.0494      1.00000
     56     -10.0375      1.00000
     57      -9.7695      1.00000
     58      -9.7140      1.00000
     59      -9.6761      1.00000
     60      -9.6348      1.00000
     61      -9.6258      1.00000
     62      -9.5873      1.00000
     63      -9.2996      1.00000
     64      -9.2845      1.00000
     65      -9.2484      1.00000
     66      -9.0887      1.00000
     67      -8.9034      1.00000
     68      -8.8807      1.00000
     69      -8.7247      1.00000
     70      -8.5896      1.00000
     71      -8.5097      1.00000
     72      -8.3319      1.00000
     73      -8.3027      1.00000
     74      -8.2650      1.00000
     75      -8.2337      1.00000
     76      -8.1961      1.00000
     77      -8.1833      1.00000
     78      -8.1671      1.00000
     79      -8.1019      1.00000
     80      -7.6893      1.00000
     81      -7.3594      1.00000
     82      -7.3104      1.00000
     83      -7.2664      1.00000
     84      -7.1904      1.00000
     85      -7.1259      1.00000
     86      -7.0768      1.00000
     87      -6.9058      1.00000
     88      -6.8821      1.00000
     89      -6.5457      1.00000
     90      -6.4964      1.00000
     91      -6.2065      1.00000
     92      -6.0706      1.00000
     93      -5.9436      1.00000
     94      -5.7152      1.00000
     95      -5.6343      1.00000
     96      -5.4535      1.00000
     97      -5.3050      1.00000
     98      -5.2361      1.00000
     99      -5.1543      1.00000
    100      -5.1503      1.00000
    101      -4.5237      1.00000
    102      -4.4718      1.00000
    103      -4.1445      1.00000
    104      -3.8388      1.00000
    105      -3.7571      1.00000
    106      -3.6783      1.00000
    107      -1.8717      0.00000
    108      -1.8247      0.00000
    109      -1.2790      0.00000
    110      -1.0335      0.00000
    111      -1.0129      0.00000
    112      -0.7136      0.00000
    113      -0.6374      0.00000
    114      -0.5886      0.00000
    115      -0.5465      0.00000
    116      -0.2026      0.00000
    117       0.2515      0.00000
    118       0.2781      0.00000
    119       0.7599      0.00000
    120       0.9455      0.00000
    121       1.1342      0.00000
    122       1.2241      0.00000
    123       1.3201      0.00000
    124       1.4148      0.00000
    125       1.6008      0.00000
    126       1.6341      0.00000
    127       1.6992      0.00000
    128       1.8307      0.00000
    129       1.9224      0.00000
    130       2.0095      0.00000
    131       2.0992      0.00000
    132       2.3297      0.00000
    133       2.3937      0.00000
    134       2.4328      0.00000
    135       2.5393      0.00000
    136       2.6358      0.00000
    137       2.7625      0.00000
    138       2.8236      0.00000
    139       2.8348      0.00000
    140       2.8933      0.00000
    141       3.0491      0.00000
    142       3.0872      0.00000
    143       3.1895      0.00000
    144       3.2375      0.00000
    145       3.3780      0.00000
    146       3.4207      0.00000
    147       3.4884      0.00000
    148       3.5893      0.00000
    149       3.6062      0.00000
    150       3.6321      0.00000
    151       3.6504      0.00000
    152       3.7421      0.00000
    153       3.7726      0.00000
    154       3.7872      0.00000
    155       3.8108      0.00000
    156       3.8917      0.00000
    157       3.9756      0.00000
    158       4.0079      0.00000
    159       4.1784      0.00000
    160       4.2363      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2478      1.00000
      2     -21.8933      1.00000
      3     -21.8228      1.00000
      4     -21.3108      1.00000
      5     -21.2805      1.00000
      6     -20.7709      1.00000
      7     -20.7052      1.00000
      8     -20.5572      1.00000
      9     -20.0073      1.00000
     10     -19.9996      1.00000
     11     -19.6482      1.00000
     12     -19.6239      1.00000
     13     -18.9288      1.00000
     14     -18.9201      1.00000
     15     -18.5673      1.00000
     16     -18.5537      1.00000
     17     -18.3966      1.00000
     18     -17.6177      1.00000
     19     -17.5610      1.00000
     20     -17.5562      1.00000
     21     -17.5153      1.00000
     22     -17.0541      1.00000
     23     -17.0368      1.00000
     24     -16.8859      1.00000
     25     -15.9251      1.00000
     26     -15.8652      1.00000
     27     -15.5172      1.00000
     28     -15.5166      1.00000
     29     -15.2292      1.00000
     30     -14.7937      1.00000
     31     -14.7666      1.00000
     32     -14.5187      1.00000
     33     -14.4748      1.00000
     34     -14.0969      1.00000
     35     -14.0858      1.00000
     36     -13.0748      1.00000
     37     -13.0363      1.00000
     38     -12.9711      1.00000
     39     -12.9588      1.00000
     40     -12.6488      1.00000
     41     -12.6420      1.00000
     42     -12.2710      1.00000
     43     -12.2397      1.00000
     44     -11.5834      1.00000
     45     -11.5551      1.00000
     46     -11.5038      1.00000
     47     -10.9020      1.00000
     48     -10.8474      1.00000
     49     -10.6229      1.00000
     50     -10.5618      1.00000
     51     -10.4867      1.00000
     52     -10.4290      1.00000
     53     -10.4197      1.00000
     54     -10.3723      1.00000
     55     -10.3023      1.00000
     56     -10.0654      1.00000
     57      -9.8331      1.00000
     58      -9.5571      1.00000
     59      -9.4977      1.00000
     60      -9.4714      1.00000
     61      -9.3413      1.00000
     62      -9.3312      1.00000
     63      -9.3174      1.00000
     64      -9.3105      1.00000
     65      -9.2136      1.00000
     66      -9.1077      1.00000
     67      -9.0748      1.00000
     68      -9.0465      1.00000
     69      -8.8475      1.00000
     70      -8.7873      1.00000
     71      -8.7696      1.00000
     72      -8.5278      1.00000
     73      -8.4764      1.00000
     74      -8.2233      1.00000
     75      -8.1067      1.00000
     76      -8.0953      1.00000
     77      -7.8086      1.00000
     78      -7.7885      1.00000
     79      -7.7883      1.00000
     80      -7.6730      1.00000
     81      -7.6344      1.00000
     82      -7.6320      1.00000
     83      -7.4012      1.00000
     84      -7.3253      1.00000
     85      -7.2005      1.00000
     86      -6.8377      1.00000
     87      -6.8259      1.00000
     88      -6.6625      1.00000
     89      -6.5382      1.00000
     90      -6.3501      1.00000
     91      -6.3072      1.00000
     92      -6.1817      1.00000
     93      -6.1417      1.00000
     94      -5.9790      1.00000
     95      -5.5743      1.00000
     96      -5.4278      1.00000
     97      -5.2607      1.00000
     98      -5.2514      1.00000
     99      -5.1512      1.00000
    100      -4.6943      1.00000
    101      -4.6656      1.00000
    102      -4.3495      1.00000
    103      -4.3166      1.00000
    104      -3.9656      1.00000
    105      -3.8325      1.00000
    106      -3.3872      1.00000
    107      -2.2212      0.00000
    108      -1.3771      0.00000
    109      -1.2858      0.00000
    110      -1.1742      0.00000
    111      -1.0787      0.00000
    112      -0.8952      0.00000
    113      -0.7685      0.00000
    114      -0.7583      0.00000
    115      -0.2183      0.00000
    116       0.1167      0.00000
    117       0.2670      0.00000
    118       0.3458      0.00000
    119       0.7332      0.00000
    120       0.9023      0.00000
    121       0.9702      0.00000
    122       1.0953      0.00000
    123       1.2077      0.00000
    124       1.5291      0.00000
    125       1.5643      0.00000
    126       1.7192      0.00000
    127       1.8369      0.00000
    128       1.8600      0.00000
    129       1.9650      0.00000
    130       2.0017      0.00000
    131       2.1545      0.00000
    132       2.2665      0.00000
    133       2.4540      0.00000
    134       2.4699      0.00000
    135       2.5097      0.00000
    136       2.6686      0.00000
    137       2.6884      0.00000
    138       2.7310      0.00000
    139       2.7525      0.00000
    140       2.8915      0.00000
    141       3.0217      0.00000
    142       3.0821      0.00000
    143       3.2032      0.00000
    144       3.2633      0.00000
    145       3.2637      0.00000
    146       3.2661      0.00000
    147       3.3725      0.00000
    148       3.4771      0.00000
    149       3.5327      0.00000
    150       3.6960      0.00000
    151       3.7533      0.00000
    152       3.7686      0.00000
    153       3.8337      0.00000
    154       3.8815      0.00000
    155       3.9427      0.00000
    156       3.9926      0.00000
    157       4.0338      0.00000
    158       4.0571      0.00000
    159       4.0672      0.00000
    160       4.1345      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1419      1.00000
      2     -22.0465      1.00000
      3     -21.8862      1.00000
      4     -21.3340      1.00000
      5     -20.9817      1.00000
      6     -20.9431      1.00000
      7     -20.4333      1.00000
      8     -20.3903      1.00000
      9     -20.2271      1.00000
     10     -20.2056      1.00000
     11     -19.8882      1.00000
     12     -19.8203      1.00000
     13     -18.8136      1.00000
     14     -18.7422      1.00000
     15     -18.2913      1.00000
     16     -18.2372      1.00000
     17     -18.0867      1.00000
     18     -18.0644      1.00000
     19     -17.7630      1.00000
     20     -17.7195      1.00000
     21     -17.1912      1.00000
     22     -17.1655      1.00000
     23     -17.1022      1.00000
     24     -17.0618      1.00000
     25     -16.0388      1.00000
     26     -15.8209      1.00000
     27     -15.7995      1.00000
     28     -15.7622      1.00000
     29     -15.1754      1.00000
     30     -14.4890      1.00000
     31     -14.4567      1.00000
     32     -14.2191      1.00000
     33     -13.8991      1.00000
     34     -13.8902      1.00000
     35     -13.7582      1.00000
     36     -13.7347      1.00000
     37     -13.5522      1.00000
     38     -13.5020      1.00000
     39     -13.3003      1.00000
     40     -12.5650      1.00000
     41     -12.1250      1.00000
     42     -12.0649      1.00000
     43     -12.0083      1.00000
     44     -11.9495      1.00000
     45     -11.6144      1.00000
     46     -11.5911      1.00000
     47     -11.0832      1.00000
     48     -11.0503      1.00000
     49     -10.7508      1.00000
     50     -10.6597      1.00000
     51     -10.5270      1.00000
     52     -10.1566      1.00000
     53     -10.1353      1.00000
     54     -10.0962      1.00000
     55      -9.9569      1.00000
     56      -9.9481      1.00000
     57      -9.9162      1.00000
     58      -9.7407      1.00000
     59      -9.7334      1.00000
     60      -9.6980      1.00000
     61      -9.6924      1.00000
     62      -9.4284      1.00000
     63      -9.3594      1.00000
     64      -9.0866      1.00000
     65      -9.0130      1.00000
     66      -8.9720      1.00000
     67      -8.8866      1.00000
     68      -8.8115      1.00000
     69      -8.6600      1.00000
     70      -8.6392      1.00000
     71      -8.5781      1.00000
     72      -8.4747      1.00000
     73      -8.4632      1.00000
     74      -8.4006      1.00000
     75      -8.3928      1.00000
     76      -8.1835      1.00000
     77      -8.1148      1.00000
     78      -7.9777      1.00000
     79      -7.9161      1.00000
     80      -7.8487      1.00000
     81      -7.6176      1.00000
     82      -7.5292      1.00000
     83      -7.4670      1.00000
     84      -7.2570      1.00000
     85      -6.9378      1.00000
     86      -6.8610      1.00000
     87      -6.8137      1.00000
     88      -6.5746      1.00000
     89      -6.4650      1.00000
     90      -6.4171      1.00000
     91      -6.3558      1.00000
     92      -6.0533      1.00000
     93      -5.8789      1.00000
     94      -5.7526      1.00000
     95      -5.7233      1.00000
     96      -5.4776      1.00000
     97      -5.3474      1.00000
     98      -5.1812      1.00000
     99      -5.1581      1.00000
    100      -5.1535      1.00000
    101      -4.7071      1.00000
    102      -4.4420      1.00000
    103      -4.2564      1.00000
    104      -3.9973      1.00000
    105      -3.8313      1.00000
    106      -3.1550      1.00000
    107      -2.4637      0.00000
    108      -1.3808      0.00000
    109      -1.2401      0.00000
    110      -1.1472      0.00000
    111      -1.1136      0.00000
    112      -0.5646      0.00000
    113      -0.4346      0.00000
    114      -0.4301      0.00000
    115      -0.3078      0.00000
    116      -0.1906      0.00000
    117       0.0607      0.00000
    118       0.1160      0.00000
    119       0.5413      0.00000
    120       0.6836      0.00000
    121       0.8715      0.00000
    122       0.9672      0.00000
    123       1.1099      0.00000
    124       1.4976      0.00000
    125       1.6667      0.00000
    126       1.7980      0.00000
    127       1.8797      0.00000
    128       2.0938      0.00000
    129       2.1281      0.00000
    130       2.1994      0.00000
    131       2.2168      0.00000
    132       2.3402      0.00000
    133       2.3620      0.00000
    134       2.4881      0.00000
    135       2.5830      0.00000
    136       2.6695      0.00000
    137       2.8775      0.00000
    138       2.9357      0.00000
    139       2.9673      0.00000
    140       3.0002      0.00000
    141       3.0551      0.00000
    142       3.1505      0.00000
    143       3.1869      0.00000
    144       3.2595      0.00000
    145       3.2913      0.00000
    146       3.3300      0.00000
    147       3.3520      0.00000
    148       3.3791      0.00000
    149       3.3947      0.00000
    150       3.4952      0.00000
    151       3.5520      0.00000
    152       3.6318      0.00000
    153       3.6970      0.00000
    154       3.7077      0.00000
    155       3.7262      0.00000
    156       3.9196      0.00000
    157       3.9476      0.00000
    158       4.0603      0.00000
    159       4.0906      0.00000
    160       4.2015      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2475      1.00000
      2     -21.8949      1.00000
      3     -21.8211      1.00000
      4     -21.3163      1.00000
      5     -21.2774      1.00000
      6     -20.7710      1.00000
      7     -20.7017      1.00000
      8     -20.5536      1.00000
      9     -20.0234      1.00000
     10     -19.9907      1.00000
     11     -19.6500      1.00000
     12     -19.6183      1.00000
     13     -18.9439      1.00000
     14     -18.9083      1.00000
     15     -18.5854      1.00000
     16     -18.5476      1.00000
     17     -18.3904      1.00000
     18     -17.6019      1.00000
     19     -17.5672      1.00000
     20     -17.5400      1.00000
     21     -17.5064      1.00000
     22     -17.0758      1.00000
     23     -17.0272      1.00000
     24     -16.9025      1.00000
     25     -15.9476      1.00000
     26     -15.8519      1.00000
     27     -15.5321      1.00000
     28     -15.5061      1.00000
     29     -15.2086      1.00000
     30     -14.8141      1.00000
     31     -14.7613      1.00000
     32     -14.5076      1.00000
     33     -14.4657      1.00000
     34     -14.0996      1.00000
     35     -14.0941      1.00000
     36     -13.1051      1.00000
     37     -13.0280      1.00000
     38     -12.9536      1.00000
     39     -12.9481      1.00000
     40     -12.6543      1.00000
     41     -12.6251      1.00000
     42     -12.2749      1.00000
     43     -12.2488      1.00000
     44     -11.5766      1.00000
     45     -11.5553      1.00000
     46     -11.5012      1.00000
     47     -10.8778      1.00000
     48     -10.8731      1.00000
     49     -10.6831      1.00000
     50     -10.5244      1.00000
     51     -10.5190      1.00000
     52     -10.4390      1.00000
     53     -10.4145      1.00000
     54     -10.3693      1.00000
     55     -10.2835      1.00000
     56     -10.0610      1.00000
     57      -9.8316      1.00000
     58      -9.5556      1.00000
     59      -9.4798      1.00000
     60      -9.4438      1.00000
     61      -9.3650      1.00000
     62      -9.3341      1.00000
     63      -9.3034      1.00000
     64      -9.3000      1.00000
     65      -9.2065      1.00000
     66      -9.1021      1.00000
     67      -9.0711      1.00000
     68      -9.0505      1.00000
     69      -8.8512      1.00000
     70      -8.8060      1.00000
     71      -8.7746      1.00000
     72      -8.5260      1.00000
     73      -8.4975      1.00000
     74      -8.2275      1.00000
     75      -8.1356      1.00000
     76      -8.0907      1.00000
     77      -7.8049      1.00000
     78      -7.7644      1.00000
     79      -7.7385      1.00000
     80      -7.7040      1.00000
     81      -7.6326      1.00000
     82      -7.6248      1.00000
     83      -7.3885      1.00000
     84      -7.3430      1.00000
     85      -7.2204      1.00000
     86      -6.8437      1.00000
     87      -6.8232      1.00000
     88      -6.6398      1.00000
     89      -6.5305      1.00000
     90      -6.3380      1.00000
     91      -6.2746      1.00000
     92      -6.1965      1.00000
     93      -6.1348      1.00000
     94      -6.0210      1.00000
     95      -5.6372      1.00000
     96      -5.5097      1.00000
     97      -5.2965      1.00000
     98      -5.1550      1.00000
     99      -5.0418      1.00000
    100      -4.7263      1.00000
    101      -4.6872      1.00000
    102      -4.3695      1.00000
    103      -4.1857      1.00000
    104      -4.0105      1.00000
    105      -3.8308      1.00000
    106      -3.4851      1.00000
    107      -2.1638      0.00000
    108      -1.3850      0.00000
    109      -1.2354      0.00000
    110      -1.1842      0.00000
    111      -1.0157      0.00000
    112      -0.9533      0.00000
    113      -0.7970      0.00000
    114      -0.7515      0.00000
    115      -0.3662      0.00000
    116       0.2434      0.00000
    117       0.2751      0.00000
    118       0.3639      0.00000
    119       0.6998      0.00000
    120       0.8702      0.00000
    121       0.9652      0.00000
    122       1.1274      0.00000
    123       1.2335      0.00000
    124       1.4583      0.00000
    125       1.5560      0.00000
    126       1.7826      0.00000
    127       1.8530      0.00000
    128       1.8849      0.00000
    129       1.9837      0.00000
    130       2.0291      0.00000
    131       2.1953      0.00000
    132       2.2140      0.00000
    133       2.4039      0.00000
    134       2.4439      0.00000
    135       2.5635      0.00000
    136       2.6569      0.00000
    137       2.6839      0.00000
    138       2.7267      0.00000
    139       2.7737      0.00000
    140       2.8627      0.00000
    141       2.9684      0.00000
    142       3.0857      0.00000
    143       3.1931      0.00000
    144       3.2436      0.00000
    145       3.2576      0.00000
    146       3.2969      0.00000
    147       3.3396      0.00000
    148       3.4836      0.00000
    149       3.5064      0.00000
    150       3.7023      0.00000
    151       3.7215      0.00000
    152       3.7706      0.00000
    153       3.8597      0.00000
    154       3.8770      0.00000
    155       3.9053      0.00000
    156       3.9984      0.00000
    157       4.0023      0.00000
    158       4.0574      0.00000
    159       4.0788      0.00000
    160       4.1351      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3194      1.00000
      2     -21.7610      1.00000
      3     -21.5678      1.00000
      4     -21.5408      1.00000
      5     -21.2050      1.00000
      6     -21.1661      1.00000
      7     -20.9844      1.00000
      8     -20.0978      1.00000
      9     -20.0590      1.00000
     10     -19.5483      1.00000
     11     -19.5280      1.00000
     12     -19.3423      1.00000
     13     -19.0278      1.00000
     14     -18.9890      1.00000
     15     -18.9777      1.00000
     16     -18.9707      1.00000
     17     -18.2971      1.00000
     18     -18.2834      1.00000
     19     -17.9424      1.00000
     20     -16.9977      1.00000
     21     -16.9563      1.00000
     22     -16.8827      1.00000
     23     -16.8701      1.00000
     24     -16.4200      1.00000
     25     -16.3972      1.00000
     26     -15.5433      1.00000
     27     -15.5399      1.00000
     28     -15.1711      1.00000
     29     -15.1697      1.00000
     30     -15.1272      1.00000
     31     -15.0335      1.00000
     32     -14.9982      1.00000
     33     -14.6361      1.00000
     34     -14.6292      1.00000
     35     -13.6648      1.00000
     36     -13.6548      1.00000
     37     -13.1654      1.00000
     38     -12.5713      1.00000
     39     -12.5111      1.00000
     40     -12.3828      1.00000
     41     -12.3825      1.00000
     42     -12.0356      1.00000
     43     -12.0315      1.00000
     44     -11.6619      1.00000
     45     -11.6214      1.00000
     46     -11.2088      1.00000
     47     -11.1593      1.00000
     48     -10.9517      1.00000
     49     -10.9379      1.00000
     50     -10.8642      1.00000
     51     -10.8317      1.00000
     52     -10.6260      1.00000
     53     -10.1454      1.00000
     54     -10.0822      1.00000
     55     -10.0202      1.00000
     56      -9.9441      1.00000
     57      -9.6300      1.00000
     58      -9.6275      1.00000
     59      -9.6022      1.00000
     60      -9.5437      1.00000
     61      -9.5068      1.00000
     62      -9.4802      1.00000
     63      -9.2715      1.00000
     64      -9.2302      1.00000
     65      -9.2039      1.00000
     66      -9.1892      1.00000
     67      -9.0623      1.00000
     68      -9.0426      1.00000
     69      -9.0391      1.00000
     70      -8.8760      1.00000
     71      -8.8184      1.00000
     72      -8.5387      1.00000
     73      -8.5368      1.00000
     74      -8.5040      1.00000
     75      -8.0238      1.00000
     76      -7.8379      1.00000
     77      -7.8001      1.00000
     78      -7.7762      1.00000
     79      -7.6988      1.00000
     80      -7.6802      1.00000
     81      -7.4150      1.00000
     82      -7.2846      1.00000
     83      -7.2473      1.00000
     84      -7.2042      1.00000
     85      -7.0807      1.00000
     86      -7.0764      1.00000
     87      -6.9461      1.00000
     88      -6.7113      1.00000
     89      -6.6754      1.00000
     90      -6.6302      1.00000
     91      -6.5561      1.00000
     92      -6.0686      1.00000
     93      -6.0284      1.00000
     94      -6.0061      1.00000
     95      -5.9411      1.00000
     96      -5.7991      1.00000
     97      -5.1829      1.00000
     98      -4.8963      1.00000
     99      -4.7948      1.00000
    100      -4.6091      1.00000
    101      -4.5133      1.00000
    102      -4.1422      1.00000
    103      -4.0912      1.00000
    104      -3.9323      1.00000
    105      -3.9181      1.00000
    106      -3.8298      1.00000
    107      -1.7517      0.00000
    108      -1.6954      0.00000
    109      -1.4119      0.00000
    110      -1.3707      0.00000
    111      -1.2652      0.00000
    112      -1.2344      0.00000
    113      -0.6247      0.00000
    114      -0.5946      0.00000
    115      -0.1925      0.00000
    116       0.0411      0.00000
    117       0.5831      0.00000
    118       0.7385      0.00000
    119       0.8479      0.00000
    120       0.9293      0.00000
    121       1.1684      0.00000
    122       1.2121      0.00000
    123       1.2493      0.00000
    124       1.4181      0.00000
    125       1.6013      0.00000
    126       1.6391      0.00000
    127       1.7030      0.00000
    128       1.8081      0.00000
    129       1.9219      0.00000
    130       1.9388      0.00000
    131       2.1475      0.00000
    132       2.1709      0.00000
    133       2.2586      0.00000
    134       2.2957      0.00000
    135       2.5514      0.00000
    136       2.5611      0.00000
    137       2.6352      0.00000
    138       2.7621      0.00000
    139       2.8128      0.00000
    140       2.8516      0.00000
    141       2.8935      0.00000
    142       2.9487      0.00000
    143       3.0189      0.00000
    144       3.0256      0.00000
    145       3.0820      0.00000
    146       3.3118      0.00000
    147       3.3744      0.00000
    148       3.4195      0.00000
    149       3.4864      0.00000
    150       3.5979      0.00000
    151       3.6618      0.00000
    152       3.6698      0.00000
    153       3.6862      0.00000
    154       3.9039      0.00000
    155       3.9727      0.00000
    156       4.0244      0.00000
    157       4.0732      0.00000
    158       4.2535      0.00000
    159       4.2587      0.00000
    160       4.2684      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1406      1.00000
      2     -22.0478      1.00000
      3     -21.8860      1.00000
      4     -21.3360      1.00000
      5     -20.9762      1.00000
      6     -20.9467      1.00000
      7     -20.4279      1.00000
      8     -20.3959      1.00000
      9     -20.2144      1.00000
     10     -20.2123      1.00000
     11     -19.8891      1.00000
     12     -19.8255      1.00000
     13     -18.8200      1.00000
     14     -18.7493      1.00000
     15     -18.2631      1.00000
     16     -18.2493      1.00000
     17     -18.0803      1.00000
     18     -18.0735      1.00000
     19     -17.7436      1.00000
     20     -17.7281      1.00000
     21     -17.1969      1.00000
     22     -17.1731      1.00000
     23     -17.0832      1.00000
     24     -17.0719      1.00000
     25     -16.0519      1.00000
     26     -15.8104      1.00000
     27     -15.8009      1.00000
     28     -15.7820      1.00000
     29     -15.1556      1.00000
     30     -14.4894      1.00000
     31     -14.4680      1.00000
     32     -14.2016      1.00000
     33     -13.9129      1.00000
     34     -13.8826      1.00000
     35     -13.7578      1.00000
     36     -13.7377      1.00000
     37     -13.5367      1.00000
     38     -13.5110      1.00000
     39     -13.3002      1.00000
     40     -12.5751      1.00000
     41     -12.1029      1.00000
     42     -12.0790      1.00000
     43     -12.0017      1.00000
     44     -11.9545      1.00000
     45     -11.5997      1.00000
     46     -11.5917      1.00000
     47     -11.0889      1.00000
     48     -11.0653      1.00000
     49     -10.7395      1.00000
     50     -10.6724      1.00000
     51     -10.5615      1.00000
     52     -10.1351      1.00000
     53     -10.1304      1.00000
     54     -10.1003      1.00000
     55      -9.9643      1.00000
     56      -9.9220      1.00000
     57      -9.9200      1.00000
     58      -9.7491      1.00000
     59      -9.7242      1.00000
     60      -9.6965      1.00000
     61      -9.6963      1.00000
     62      -9.4023      1.00000
     63      -9.3988      1.00000
     64      -9.0689      1.00000
     65      -8.9801      1.00000
     66      -8.9780      1.00000
     67      -8.9092      1.00000
     68      -8.8120      1.00000
     69      -8.6461      1.00000
     70      -8.6289      1.00000
     71      -8.5479      1.00000
     72      -8.5102      1.00000
     73      -8.4910      1.00000
     74      -8.3936      1.00000
     75      -8.3818      1.00000
     76      -8.2100      1.00000
     77      -8.1022      1.00000
     78      -8.0059      1.00000
     79      -7.9004      1.00000
     80      -7.8408      1.00000
     81      -7.6225      1.00000
     82      -7.5344      1.00000
     83      -7.4623      1.00000
     84      -7.2540      1.00000
     85      -6.9377      1.00000
     86      -6.8637      1.00000
     87      -6.8044      1.00000
     88      -6.4802      1.00000
     89      -6.4743      1.00000
     90      -6.4154      1.00000
     91      -6.3620      1.00000
     92      -6.1922      1.00000
     93      -5.8573      1.00000
     94      -5.7371      1.00000
     95      -5.7111      1.00000
     96      -5.5235      1.00000
     97      -5.3299      1.00000
     98      -5.1699      1.00000
     99      -5.1672      1.00000
    100      -5.1348      1.00000
    101      -4.6982      1.00000
    102      -4.3500      1.00000
    103      -4.2816      1.00000
    104      -4.0311      1.00000
    105      -3.8323      1.00000
    106      -3.2353      1.00000
    107      -2.4033      0.00000
    108      -1.3473      0.00000
    109      -1.2406      0.00000
    110      -1.1530      0.00000
    111      -1.1097      0.00000
    112      -0.5842      0.00000
    113      -0.5215      0.00000
    114      -0.4337      0.00000
    115      -0.2772      0.00000
    116      -0.0698      0.00000
    117      -0.0101      0.00000
    118       0.0620      0.00000
    119       0.5820      0.00000
    120       0.7094      0.00000
    121       0.8106      0.00000
    122       0.9426      0.00000
    123       1.1812      0.00000
    124       1.5124      0.00000
    125       1.6225      0.00000
    126       1.8540      0.00000
    127       2.0055      0.00000
    128       2.0515      0.00000
    129       2.1166      0.00000
    130       2.1536      0.00000
    131       2.2536      0.00000
    132       2.2844      0.00000
    133       2.3449      0.00000
    134       2.4663      0.00000
    135       2.6138      0.00000
    136       2.7007      0.00000
    137       2.8229      0.00000
    138       2.9188      0.00000
    139       2.9455      0.00000
    140       3.0392      0.00000
    141       3.0542      0.00000
    142       3.1558      0.00000
    143       3.1657      0.00000
    144       3.2273      0.00000
    145       3.2972      0.00000
    146       3.3133      0.00000
    147       3.3528      0.00000
    148       3.3714      0.00000
    149       3.4173      0.00000
    150       3.4430      0.00000
    151       3.5424      0.00000
    152       3.6109      0.00000
    153       3.7042      0.00000
    154       3.7360      0.00000
    155       3.8475      0.00000
    156       3.9085      0.00000
    157       3.9300      0.00000
    158       3.9591      0.00000
    159       4.1441      0.00000
    160       4.1778      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2134      1.00000
      2     -22.0081      1.00000
      3     -21.6466      1.00000
      4     -21.6155      1.00000
      5     -20.9098      1.00000
      6     -20.8691      1.00000
      7     -20.5387      1.00000
      8     -20.5052      1.00000
      9     -20.4995      1.00000
     10     -19.9605      1.00000
     11     -19.4430      1.00000
     12     -19.4208      1.00000
     13     -19.2420      1.00000
     14     -19.2347      1.00000
     15     -18.3741      1.00000
     16     -18.3390      1.00000
     17     -17.8599      1.00000
     18     -17.8436      1.00000
     19     -17.6888      1.00000
     20     -17.6528      1.00000
     21     -17.3731      1.00000
     22     -17.3587      1.00000
     23     -17.2624      1.00000
     24     -16.4180      1.00000
     25     -16.3945      1.00000
     26     -15.9020      1.00000
     27     -15.3467      1.00000
     28     -15.3418      1.00000
     29     -15.0342      1.00000
     30     -15.0245      1.00000
     31     -14.7735      1.00000
     32     -14.7716      1.00000
     33     -14.2348      1.00000
     34     -14.1838      1.00000
     35     -13.3851      1.00000
     36     -13.3303      1.00000
     37     -13.1127      1.00000
     38     -13.1046      1.00000
     39     -12.9163      1.00000
     40     -12.9104      1.00000
     41     -12.5464      1.00000
     42     -12.5386      1.00000
     43     -12.1275      1.00000
     44     -11.5205      1.00000
     45     -11.4758      1.00000
     46     -11.2505      1.00000
     47     -11.2187      1.00000
     48     -11.0803      1.00000
     49     -10.7092      1.00000
     50     -10.5991      1.00000
     51     -10.5113      1.00000
     52     -10.2468      1.00000
     53     -10.2430      1.00000
     54     -10.1225      1.00000
     55     -10.0582      1.00000
     56     -10.0419      1.00000
     57      -9.7847      1.00000
     58      -9.6835      1.00000
     59      -9.6706      1.00000
     60      -9.6337      1.00000
     61      -9.6239      1.00000
     62      -9.5859      1.00000
     63      -9.2925      1.00000
     64      -9.2800      1.00000
     65      -9.2632      1.00000
     66      -9.0662      1.00000
     67      -8.8913      1.00000
     68      -8.8803      1.00000
     69      -8.7186      1.00000
     70      -8.5823      1.00000
     71      -8.5355      1.00000
     72      -8.3504      1.00000
     73      -8.3056      1.00000
     74      -8.2436      1.00000
     75      -8.2355      1.00000
     76      -8.1976      1.00000
     77      -8.1841      1.00000
     78      -8.1747      1.00000
     79      -8.1082      1.00000
     80      -7.6885      1.00000
     81      -7.4193      1.00000
     82      -7.3402      1.00000
     83      -7.2542      1.00000
     84      -7.1622      1.00000
     85      -7.1112      1.00000
     86      -7.0057      1.00000
     87      -6.9056      1.00000
     88      -6.8489      1.00000
     89      -6.5501      1.00000
     90      -6.4913      1.00000
     91      -6.2142      1.00000
     92      -6.2096      1.00000
     93      -5.8932      1.00000
     94      -5.6750      1.00000
     95      -5.6079      1.00000
     96      -5.5813      1.00000
     97      -5.2516      1.00000
     98      -5.2304      1.00000
     99      -5.1642      1.00000
    100      -5.1346      1.00000
    101      -4.6014      1.00000
    102      -4.2513      1.00000
    103      -4.0478      1.00000
    104      -3.8870      1.00000
    105      -3.8446      1.00000
    106      -3.8025      1.00000
    107      -1.8067      0.00000
    108      -1.7792      0.00000
    109      -1.2274      0.00000
    110      -1.1725      0.00000
    111      -0.9755      0.00000
    112      -0.7363      0.00000
    113      -0.6498      0.00000
    114      -0.5953      0.00000
    115      -0.5482      0.00000
    116      -0.1526      0.00000
    117       0.1771      0.00000
    118       0.2893      0.00000
    119       0.7054      0.00000
    120       0.9483      0.00000
    121       1.1670      0.00000
    122       1.2762      0.00000
    123       1.3444      0.00000
    124       1.5138      0.00000
    125       1.6060      0.00000
    126       1.6271      0.00000
    127       1.6905      0.00000
    128       1.7792      0.00000
    129       1.8573      0.00000
    130       2.0780      0.00000
    131       2.1657      0.00000
    132       2.3159      0.00000
    133       2.3936      0.00000
    134       2.4252      0.00000
    135       2.5615      0.00000
    136       2.6236      0.00000
    137       2.6860      0.00000
    138       2.7518      0.00000
    139       2.8212      0.00000
    140       2.9158      0.00000
    141       3.0605      0.00000
    142       3.0682      0.00000
    143       3.1836      0.00000
    144       3.2790      0.00000
    145       3.3775      0.00000
    146       3.4125      0.00000
    147       3.4619      0.00000
    148       3.5583      0.00000
    149       3.5748      0.00000
    150       3.6264      0.00000
    151       3.6605      0.00000
    152       3.7002      0.00000
    153       3.7847      0.00000
    154       3.7994      0.00000
    155       3.8225      0.00000
    156       3.8954      0.00000
    157       3.8989      0.00000
    158       3.9779      0.00000
    159       4.1951      0.00000
    160       4.2364      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3561      1.00000
      2     -21.5365      1.00000
      3     -21.4065      1.00000
      4     -21.4061      1.00000
      5     -21.3751      1.00000
      6     -21.3649      1.00000
      7     -21.3579      1.00000
      8     -19.6465      1.00000
      9     -19.5706      1.00000
     10     -19.5665      1.00000
     11     -19.5572      1.00000
     12     -19.5395      1.00000
     13     -19.5381      1.00000
     14     -18.7288      1.00000
     15     -18.6768      1.00000
     16     -18.6735      1.00000
     17     -18.6596      1.00000
     18     -18.6439      1.00000
     19     -18.6392      1.00000
     20     -16.5886      1.00000
     21     -16.5238      1.00000
     22     -16.5230      1.00000
     23     -16.5136      1.00000
     24     -16.4858      1.00000
     25     -16.4844      1.00000
     26     -15.5574      1.00000
     27     -15.5270      1.00000
     28     -15.5258      1.00000
     29     -15.5003      1.00000
     30     -15.4930      1.00000
     31     -15.4891      1.00000
     32     -14.2054      1.00000
     33     -14.1807      1.00000
     34     -14.1698      1.00000
     35     -14.1674      1.00000
     36     -14.1567      1.00000
     37     -14.1471      1.00000
     38     -11.8843      1.00000
     39     -11.8081      1.00000
     40     -11.7933      1.00000
     41     -11.7916      1.00000
     42     -11.7886      1.00000
     43     -11.7828      1.00000
     44     -11.7077      1.00000
     45     -11.6956      1.00000
     46     -11.6693      1.00000
     47     -11.6642      1.00000
     48     -11.6568      1.00000
     49     -11.6470      1.00000
     50     -10.6752      1.00000
     51     -10.3281      1.00000
     52     -10.3218      1.00000
     53     -10.3064      1.00000
     54     -10.3023      1.00000
     55     -10.2919      1.00000
     56     -10.2778      1.00000
     57      -9.9287      1.00000
     58      -9.3728      1.00000
     59      -9.3597      1.00000
     60      -9.3005      1.00000
     61      -9.2912      1.00000
     62      -9.2848      1.00000
     63      -9.0888      1.00000
     64      -9.0637      1.00000
     65      -9.0464      1.00000
     66      -9.0300      1.00000
     67      -9.0037      1.00000
     68      -9.0014      1.00000
     69      -8.9985      1.00000
     70      -8.9959      1.00000
     71      -8.9926      1.00000
     72      -8.9683      1.00000
     73      -8.9682      1.00000
     74      -8.9527      1.00000
     75      -8.5007      1.00000
     76      -7.5185      1.00000
     77      -7.4149      1.00000
     78      -7.4069      1.00000
     79      -7.4006      1.00000
     80      -7.3815      1.00000
     81      -7.3596      1.00000
     82      -7.3407      1.00000
     83      -7.3124      1.00000
     84      -7.2694      1.00000
     85      -7.2055      1.00000
     86      -7.1802      1.00000
     87      -7.1799      1.00000
     88      -7.0757      1.00000
     89      -6.5082      1.00000
     90      -6.4625      1.00000
     91      -6.3566      1.00000
     92      -6.2943      1.00000
     93      -6.2869      1.00000
     94      -6.2855      1.00000
     95      -5.8924      1.00000
     96      -5.8897      1.00000
     97      -5.0508      1.00000
     98      -4.9393      1.00000
     99      -4.5404      1.00000
    100      -4.3422      1.00000
    101      -4.3179      1.00000
    102      -4.3166      1.00000
    103      -4.1162      1.00000
    104      -3.9138      1.00000
    105      -3.9000      1.00000
    106      -3.8361      1.00000
    107      -1.6828      0.00000
    108      -1.6676      0.00000
    109      -1.5373      0.00000
    110      -1.5337      0.00000
    111      -1.5227      0.00000
    112      -1.5094      0.00000
    113      -0.5859      0.00000
    114       0.1367      0.00000
    115       0.2038      0.00000
    116       0.3244      0.00000
    117       0.3285      0.00000
    118       0.3324      0.00000
    119       0.4943      0.00000
    120       0.5947      0.00000
    121       1.2605      0.00000
    122       1.2758      0.00000
    123       1.5278      0.00000
    124       1.7944      0.00000
    125       1.8031      0.00000
    126       1.8065      0.00000
    127       1.8092      0.00000
    128       1.9458      0.00000
    129       1.9768      0.00000
    130       2.0312      0.00000
    131       2.0449      0.00000
    132       2.0507      0.00000
    133       2.0546      0.00000
    134       2.0606      0.00000
    135       2.3099      0.00000
    136       2.3224      0.00000
    137       2.6096      0.00000
    138       2.6239      0.00000
    139       2.6440      0.00000
    140       2.7344      0.00000
    141       2.8578      0.00000
    142       3.0300      0.00000
    143       3.0663      0.00000
    144       3.0719      0.00000
    145       3.0863      0.00000
    146       3.1051      0.00000
    147       3.1146      0.00000
    148       3.2328      0.00000
    149       3.4450      0.00000
    150       3.5546      0.00000
    151       3.7905      0.00000
    152       3.9509      0.00000
    153       3.9535      0.00000
    154       3.9741      0.00000
    155       3.9820      0.00000
    156       4.0045      0.00000
    157       4.1780      0.00000
    158       4.2751      0.00000
    159       4.2842      0.00000
    160       4.2850      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3195      1.00000
      2     -21.7612      1.00000
      3     -21.5701      1.00000
      4     -21.5373      1.00000
      5     -21.2073      1.00000
      6     -21.1625      1.00000
      7     -20.9873      1.00000
      8     -20.1019      1.00000
      9     -20.0575      1.00000
     10     -19.5451      1.00000
     11     -19.5202      1.00000
     12     -19.3500      1.00000
     13     -19.0253      1.00000
     14     -18.9879      1.00000
     15     -18.9816      1.00000
     16     -18.9688      1.00000
     17     -18.2975      1.00000
     18     -18.2763      1.00000
     19     -17.9537      1.00000
     20     -17.0116      1.00000
     21     -16.9607      1.00000
     22     -16.8820      1.00000
     23     -16.8644      1.00000
     24     -16.4043      1.00000
     25     -16.3864      1.00000
     26     -15.5495      1.00000
     27     -15.5353      1.00000
     28     -15.1976      1.00000
     29     -15.1704      1.00000
     30     -15.1165      1.00000
     31     -15.0295      1.00000
     32     -15.0032      1.00000
     33     -14.6349      1.00000
     34     -14.6225      1.00000
     35     -13.6671      1.00000
     36     -13.6501      1.00000
     37     -13.1724      1.00000
     38     -12.5531      1.00000
     39     -12.5177      1.00000
     40     -12.3928      1.00000
     41     -12.3785      1.00000
     42     -12.0582      1.00000
     43     -12.0333      1.00000
     44     -11.6560      1.00000
     45     -11.6133      1.00000
     46     -11.1783      1.00000
     47     -11.1576      1.00000
     48     -10.9668      1.00000
     49     -10.9433      1.00000
     50     -10.8721      1.00000
     51     -10.8352      1.00000
     52     -10.6030      1.00000
     53     -10.0944      1.00000
     54     -10.0915      1.00000
     55     -10.0477      1.00000
     56      -9.9723      1.00000
     57      -9.6533      1.00000
     58      -9.6332      1.00000
     59      -9.5909      1.00000
     60      -9.5313      1.00000
     61      -9.5050      1.00000
     62      -9.4792      1.00000
     63      -9.2662      1.00000
     64      -9.2462      1.00000
     65      -9.2189      1.00000
     66      -9.1614      1.00000
     67      -9.0698      1.00000
     68      -9.0544      1.00000
     69      -9.0361      1.00000
     70      -8.8829      1.00000
     71      -8.8014      1.00000
     72      -8.5764      1.00000
     73      -8.5236      1.00000
     74      -8.4589      1.00000
     75      -8.0392      1.00000
     76      -7.8130      1.00000
     77      -7.8069      1.00000
     78      -7.7889      1.00000
     79      -7.7042      1.00000
     80      -7.6900      1.00000
     81      -7.3659      1.00000
     82      -7.2769      1.00000
     83      -7.2615      1.00000
     84      -7.2170      1.00000
     85      -7.1731      1.00000
     86      -7.0095      1.00000
     87      -6.9432      1.00000
     88      -6.7466      1.00000
     89      -6.6721      1.00000
     90      -6.5942      1.00000
     91      -6.5599      1.00000
     92      -6.0541      1.00000
     93      -6.0463      1.00000
     94      -6.0217      1.00000
     95      -5.9565      1.00000
     96      -5.7379      1.00000
     97      -5.1578      1.00000
     98      -4.9918      1.00000
     99      -4.7205      1.00000
    100      -4.6111      1.00000
    101      -4.4401      1.00000
    102      -4.3748      1.00000
    103      -4.1230      1.00000
    104      -3.8688      1.00000
    105      -3.8358      1.00000
    106      -3.7892      1.00000
    107      -1.7854      0.00000
    108      -1.7391      0.00000
    109      -1.3958      0.00000
    110      -1.3445      0.00000
    111      -1.2645      0.00000
    112      -1.2264      0.00000
    113      -0.7466      0.00000
    114      -0.3806      0.00000
    115      -0.2165      0.00000
    116      -0.0195      0.00000
    117       0.5907      0.00000
    118       0.7371      0.00000
    119       0.7632      0.00000
    120       1.0492      0.00000
    121       1.1410      0.00000
    122       1.2501      0.00000
    123       1.2720      0.00000
    124       1.4150      0.00000
    125       1.4775      0.00000
    126       1.5860      0.00000
    127       1.7600      0.00000
    128       1.8381      0.00000
    129       1.8964      0.00000
    130       1.9588      0.00000
    131       2.1045      0.00000
    132       2.2385      0.00000
    133       2.2469      0.00000
    134       2.2952      0.00000
    135       2.4855      0.00000
    136       2.6179      0.00000
    137       2.6367      0.00000
    138       2.7664      0.00000
    139       2.8008      0.00000
    140       2.8590      0.00000
    141       2.8704      0.00000
    142       2.8922      0.00000
    143       2.9616      0.00000
    144       3.0838      0.00000
    145       3.2871      0.00000
    146       3.3040      0.00000
    147       3.3760      0.00000
    148       3.4072      0.00000
    149       3.4700      0.00000
    150       3.5929      0.00000
    151       3.6369      0.00000
    152       3.6837      0.00000
    153       3.7157      0.00000
    154       3.9085      0.00000
    155       3.9385      0.00000
    156       3.9840      0.00000
    157       4.0837      0.00000
    158       4.1995      0.00000
    159       4.2591      0.00000
    160       4.2974      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2140      1.00000
      2     -22.0076      1.00000
      3     -21.6487      1.00000
      4     -21.6116      1.00000
      5     -20.9128      1.00000
      6     -20.8663      1.00000
      7     -20.5457      1.00000
      8     -20.5069      1.00000
      9     -20.4955      1.00000
     10     -19.9642      1.00000
     11     -19.4415      1.00000
     12     -19.4139      1.00000
     13     -19.2406      1.00000
     14     -19.2257      1.00000
     15     -18.3852      1.00000
     16     -18.3406      1.00000
     17     -17.8609      1.00000
     18     -17.8370      1.00000
     19     -17.6993      1.00000
     20     -17.6563      1.00000
     21     -17.3739      1.00000
     22     -17.3533      1.00000
     23     -17.2767      1.00000
     24     -16.3992      1.00000
     25     -16.3839      1.00000
     26     -15.8977      1.00000
     27     -15.3498      1.00000
     28     -15.3366      1.00000
     29     -15.0321      1.00000
     30     -15.0202      1.00000
     31     -14.8007      1.00000
     32     -14.7763      1.00000
     33     -14.2243      1.00000
     34     -14.1905      1.00000
     35     -13.3736      1.00000
     36     -13.3377      1.00000
     37     -13.1204      1.00000
     38     -13.1005      1.00000
     39     -12.9170      1.00000
     40     -12.9035      1.00000
     41     -12.5577      1.00000
     42     -12.5369      1.00000
     43     -12.1363      1.00000
     44     -11.5192      1.00000
     45     -11.4704      1.00000
     46     -11.2515      1.00000
     47     -11.2165      1.00000
     48     -11.0829      1.00000
     49     -10.6587      1.00000
     50     -10.5891      1.00000
     51     -10.5225      1.00000
     52     -10.2661      1.00000
     53     -10.2456      1.00000
     54     -10.1223      1.00000
     55     -10.0494      1.00000
     56     -10.0375      1.00000
     57      -9.7695      1.00000
     58      -9.7140      1.00000
     59      -9.6761      1.00000
     60      -9.6348      1.00000
     61      -9.6258      1.00000
     62      -9.5873      1.00000
     63      -9.2996      1.00000
     64      -9.2845      1.00000
     65      -9.2484      1.00000
     66      -9.0887      1.00000
     67      -8.9034      1.00000
     68      -8.8807      1.00000
     69      -8.7247      1.00000
     70      -8.5896      1.00000
     71      -8.5097      1.00000
     72      -8.3319      1.00000
     73      -8.3027      1.00000
     74      -8.2650      1.00000
     75      -8.2337      1.00000
     76      -8.1961      1.00000
     77      -8.1833      1.00000
     78      -8.1671      1.00000
     79      -8.1019      1.00000
     80      -7.6893      1.00000
     81      -7.3594      1.00000
     82      -7.3104      1.00000
     83      -7.2664      1.00000
     84      -7.1904      1.00000
     85      -7.1259      1.00000
     86      -7.0768      1.00000
     87      -6.9058      1.00000
     88      -6.8821      1.00000
     89      -6.5457      1.00000
     90      -6.4964      1.00000
     91      -6.2065      1.00000
     92      -6.0706      1.00000
     93      -5.9436      1.00000
     94      -5.7152      1.00000
     95      -5.6343      1.00000
     96      -5.4535      1.00000
     97      -5.3050      1.00000
     98      -5.2361      1.00000
     99      -5.1543      1.00000
    100      -5.1503      1.00000
    101      -4.5237      1.00000
    102      -4.4718      1.00000
    103      -4.1445      1.00000
    104      -3.8388      1.00000
    105      -3.7571      1.00000
    106      -3.6783      1.00000
    107      -1.8717      0.00000
    108      -1.8247      0.00000
    109      -1.2790      0.00000
    110      -1.0335      0.00000
    111      -1.0129      0.00000
    112      -0.7136      0.00000
    113      -0.6374      0.00000
    114      -0.5886      0.00000
    115      -0.5465      0.00000
    116      -0.2026      0.00000
    117       0.2515      0.00000
    118       0.2781      0.00000
    119       0.7599      0.00000
    120       0.9455      0.00000
    121       1.1342      0.00000
    122       1.2241      0.00000
    123       1.3201      0.00000
    124       1.4148      0.00000
    125       1.6008      0.00000
    126       1.6341      0.00000
    127       1.6992      0.00000
    128       1.8308      0.00000
    129       1.9224      0.00000
    130       2.0095      0.00000
    131       2.0992      0.00000
    132       2.3298      0.00000
    133       2.3937      0.00000
    134       2.4328      0.00000
    135       2.5393      0.00000
    136       2.6358      0.00000
    137       2.7626      0.00000
    138       2.8236      0.00000
    139       2.8348      0.00000
    140       2.8933      0.00000
    141       3.0491      0.00000
    142       3.0872      0.00000
    143       3.1895      0.00000
    144       3.2376      0.00000
    145       3.3780      0.00000
    146       3.4207      0.00000
    147       3.4884      0.00000
    148       3.5893      0.00000
    149       3.6062      0.00000
    150       3.6321      0.00000
    151       3.6504      0.00000
    152       3.7421      0.00000
    153       3.7726      0.00000
    154       3.7873      0.00000
    155       3.8108      0.00000
    156       3.8917      0.00000
    157       3.9756      0.00000
    158       4.0079      0.00000
    159       4.1785      0.00000
    160       4.2366      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2478      1.00000
      2     -21.8933      1.00000
      3     -21.8228      1.00000
      4     -21.3108      1.00000
      5     -21.2805      1.00000
      6     -20.7709      1.00000
      7     -20.7052      1.00000
      8     -20.5572      1.00000
      9     -20.0073      1.00000
     10     -19.9996      1.00000
     11     -19.6482      1.00000
     12     -19.6239      1.00000
     13     -18.9288      1.00000
     14     -18.9201      1.00000
     15     -18.5673      1.00000
     16     -18.5537      1.00000
     17     -18.3966      1.00000
     18     -17.6177      1.00000
     19     -17.5610      1.00000
     20     -17.5562      1.00000
     21     -17.5153      1.00000
     22     -17.0541      1.00000
     23     -17.0368      1.00000
     24     -16.8859      1.00000
     25     -15.9251      1.00000
     26     -15.8652      1.00000
     27     -15.5172      1.00000
     28     -15.5166      1.00000
     29     -15.2292      1.00000
     30     -14.7937      1.00000
     31     -14.7666      1.00000
     32     -14.5187      1.00000
     33     -14.4748      1.00000
     34     -14.0969      1.00000
     35     -14.0858      1.00000
     36     -13.0748      1.00000
     37     -13.0363      1.00000
     38     -12.9711      1.00000
     39     -12.9588      1.00000
     40     -12.6488      1.00000
     41     -12.6420      1.00000
     42     -12.2710      1.00000
     43     -12.2397      1.00000
     44     -11.5834      1.00000
     45     -11.5551      1.00000
     46     -11.5038      1.00000
     47     -10.9020      1.00000
     48     -10.8474      1.00000
     49     -10.6229      1.00000
     50     -10.5618      1.00000
     51     -10.4867      1.00000
     52     -10.4290      1.00000
     53     -10.4197      1.00000
     54     -10.3723      1.00000
     55     -10.3023      1.00000
     56     -10.0654      1.00000
     57      -9.8331      1.00000
     58      -9.5571      1.00000
     59      -9.4977      1.00000
     60      -9.4714      1.00000
     61      -9.3413      1.00000
     62      -9.3312      1.00000
     63      -9.3174      1.00000
     64      -9.3105      1.00000
     65      -9.2136      1.00000
     66      -9.1077      1.00000
     67      -9.0748      1.00000
     68      -9.0465      1.00000
     69      -8.8475      1.00000
     70      -8.7873      1.00000
     71      -8.7696      1.00000
     72      -8.5278      1.00000
     73      -8.4764      1.00000
     74      -8.2233      1.00000
     75      -8.1067      1.00000
     76      -8.0953      1.00000
     77      -7.8086      1.00000
     78      -7.7885      1.00000
     79      -7.7883      1.00000
     80      -7.6730      1.00000
     81      -7.6344      1.00000
     82      -7.6320      1.00000
     83      -7.4012      1.00000
     84      -7.3253      1.00000
     85      -7.2005      1.00000
     86      -6.8377      1.00000
     87      -6.8259      1.00000
     88      -6.6625      1.00000
     89      -6.5382      1.00000
     90      -6.3501      1.00000
     91      -6.3072      1.00000
     92      -6.1817      1.00000
     93      -6.1417      1.00000
     94      -5.9790      1.00000
     95      -5.5743      1.00000
     96      -5.4278      1.00000
     97      -5.2607      1.00000
     98      -5.2514      1.00000
     99      -5.1512      1.00000
    100      -4.6943      1.00000
    101      -4.6656      1.00000
    102      -4.3495      1.00000
    103      -4.3166      1.00000
    104      -3.9656      1.00000
    105      -3.8325      1.00000
    106      -3.3872      1.00000
    107      -2.2212      0.00000
    108      -1.3771      0.00000
    109      -1.2858      0.00000
    110      -1.1742      0.00000
    111      -1.0787      0.00000
    112      -0.8952      0.00000
    113      -0.7685      0.00000
    114      -0.7583      0.00000
    115      -0.2183      0.00000
    116       0.1167      0.00000
    117       0.2670      0.00000
    118       0.3458      0.00000
    119       0.7332      0.00000
    120       0.9023      0.00000
    121       0.9702      0.00000
    122       1.0953      0.00000
    123       1.2077      0.00000
    124       1.5291      0.00000
    125       1.5643      0.00000
    126       1.7192      0.00000
    127       1.8369      0.00000
    128       1.8600      0.00000
    129       1.9650      0.00000
    130       2.0017      0.00000
    131       2.1545      0.00000
    132       2.2665      0.00000
    133       2.4540      0.00000
    134       2.4699      0.00000
    135       2.5098      0.00000
    136       2.6686      0.00000
    137       2.6884      0.00000
    138       2.7310      0.00000
    139       2.7526      0.00000
    140       2.8915      0.00000
    141       3.0217      0.00000
    142       3.0821      0.00000
    143       3.2032      0.00000
    144       3.2633      0.00000
    145       3.2637      0.00000
    146       3.2661      0.00000
    147       3.3725      0.00000
    148       3.4771      0.00000
    149       3.5327      0.00000
    150       3.6960      0.00000
    151       3.7533      0.00000
    152       3.7686      0.00000
    153       3.8337      0.00000
    154       3.8815      0.00000
    155       3.9427      0.00000
    156       3.9926      0.00000
    157       4.0337      0.00000
    158       4.0570      0.00000
    159       4.0671      0.00000
    160       4.1341      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1419      1.00000
      2     -22.0465      1.00000
      3     -21.8862      1.00000
      4     -21.3340      1.00000
      5     -20.9817      1.00000
      6     -20.9431      1.00000
      7     -20.4333      1.00000
      8     -20.3903      1.00000
      9     -20.2271      1.00000
     10     -20.2056      1.00000
     11     -19.8882      1.00000
     12     -19.8203      1.00000
     13     -18.8136      1.00000
     14     -18.7422      1.00000
     15     -18.2913      1.00000
     16     -18.2372      1.00000
     17     -18.0867      1.00000
     18     -18.0644      1.00000
     19     -17.7630      1.00000
     20     -17.7195      1.00000
     21     -17.1912      1.00000
     22     -17.1655      1.00000
     23     -17.1022      1.00000
     24     -17.0618      1.00000
     25     -16.0388      1.00000
     26     -15.8209      1.00000
     27     -15.7995      1.00000
     28     -15.7622      1.00000
     29     -15.1754      1.00000
     30     -14.4890      1.00000
     31     -14.4567      1.00000
     32     -14.2191      1.00000
     33     -13.8991      1.00000
     34     -13.8902      1.00000
     35     -13.7582      1.00000
     36     -13.7347      1.00000
     37     -13.5522      1.00000
     38     -13.5020      1.00000
     39     -13.3003      1.00000
     40     -12.5650      1.00000
     41     -12.1250      1.00000
     42     -12.0649      1.00000
     43     -12.0083      1.00000
     44     -11.9495      1.00000
     45     -11.6144      1.00000
     46     -11.5911      1.00000
     47     -11.0832      1.00000
     48     -11.0503      1.00000
     49     -10.7508      1.00000
     50     -10.6597      1.00000
     51     -10.5270      1.00000
     52     -10.1566      1.00000
     53     -10.1353      1.00000
     54     -10.0962      1.00000
     55      -9.9569      1.00000
     56      -9.9481      1.00000
     57      -9.9162      1.00000
     58      -9.7407      1.00000
     59      -9.7334      1.00000
     60      -9.6980      1.00000
     61      -9.6924      1.00000
     62      -9.4284      1.00000
     63      -9.3594      1.00000
     64      -9.0866      1.00000
     65      -9.0130      1.00000
     66      -8.9720      1.00000
     67      -8.8866      1.00000
     68      -8.8115      1.00000
     69      -8.6600      1.00000
     70      -8.6392      1.00000
     71      -8.5781      1.00000
     72      -8.4747      1.00000
     73      -8.4632      1.00000
     74      -8.4006      1.00000
     75      -8.3928      1.00000
     76      -8.1835      1.00000
     77      -8.1148      1.00000
     78      -7.9777      1.00000
     79      -7.9161      1.00000
     80      -7.8487      1.00000
     81      -7.6176      1.00000
     82      -7.5292      1.00000
     83      -7.4670      1.00000
     84      -7.2570      1.00000
     85      -6.9378      1.00000
     86      -6.8610      1.00000
     87      -6.8137      1.00000
     88      -6.5746      1.00000
     89      -6.4650      1.00000
     90      -6.4171      1.00000
     91      -6.3558      1.00000
     92      -6.0533      1.00000
     93      -5.8789      1.00000
     94      -5.7526      1.00000
     95      -5.7233      1.00000
     96      -5.4776      1.00000
     97      -5.3474      1.00000
     98      -5.1812      1.00000
     99      -5.1581      1.00000
    100      -5.1535      1.00000
    101      -4.7071      1.00000
    102      -4.4420      1.00000
    103      -4.2564      1.00000
    104      -3.9973      1.00000
    105      -3.8313      1.00000
    106      -3.1550      1.00000
    107      -2.4637      0.00000
    108      -1.3808      0.00000
    109      -1.2401      0.00000
    110      -1.1472      0.00000
    111      -1.1136      0.00000
    112      -0.5646      0.00000
    113      -0.4346      0.00000
    114      -0.4301      0.00000
    115      -0.3078      0.00000
    116      -0.1906      0.00000
    117       0.0607      0.00000
    118       0.1160      0.00000
    119       0.5413      0.00000
    120       0.6836      0.00000
    121       0.8715      0.00000
    122       0.9672      0.00000
    123       1.1099      0.00000
    124       1.4976      0.00000
    125       1.6667      0.00000
    126       1.7980      0.00000
    127       1.8797      0.00000
    128       2.0938      0.00000
    129       2.1281      0.00000
    130       2.1994      0.00000
    131       2.2168      0.00000
    132       2.3402      0.00000
    133       2.3621      0.00000
    134       2.4881      0.00000
    135       2.5831      0.00000
    136       2.6695      0.00000
    137       2.8775      0.00000
    138       2.9357      0.00000
    139       2.9673      0.00000
    140       3.0002      0.00000
    141       3.0551      0.00000
    142       3.1505      0.00000
    143       3.1869      0.00000
    144       3.2595      0.00000
    145       3.2914      0.00000
    146       3.3300      0.00000
    147       3.3521      0.00000
    148       3.3791      0.00000
    149       3.3947      0.00000
    150       3.4952      0.00000
    151       3.5521      0.00000
    152       3.6319      0.00000
    153       3.6970      0.00000
    154       3.7077      0.00000
    155       3.7263      0.00000
    156       3.9196      0.00000
    157       3.9476      0.00000
    158       4.0603      0.00000
    159       4.0906      0.00000
    160       4.2015      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2475      1.00000
      2     -21.8949      1.00000
      3     -21.8211      1.00000
      4     -21.3163      1.00000
      5     -21.2774      1.00000
      6     -20.7710      1.00000
      7     -20.7017      1.00000
      8     -20.5536      1.00000
      9     -20.0234      1.00000
     10     -19.9907      1.00000
     11     -19.6500      1.00000
     12     -19.6183      1.00000
     13     -18.9439      1.00000
     14     -18.9083      1.00000
     15     -18.5854      1.00000
     16     -18.5476      1.00000
     17     -18.3904      1.00000
     18     -17.6019      1.00000
     19     -17.5672      1.00000
     20     -17.5400      1.00000
     21     -17.5064      1.00000
     22     -17.0758      1.00000
     23     -17.0272      1.00000
     24     -16.9025      1.00000
     25     -15.9476      1.00000
     26     -15.8519      1.00000
     27     -15.5321      1.00000
     28     -15.5061      1.00000
     29     -15.2086      1.00000
     30     -14.8141      1.00000
     31     -14.7613      1.00000
     32     -14.5076      1.00000
     33     -14.4657      1.00000
     34     -14.0996      1.00000
     35     -14.0941      1.00000
     36     -13.1051      1.00000
     37     -13.0280      1.00000
     38     -12.9536      1.00000
     39     -12.9481      1.00000
     40     -12.6543      1.00000
     41     -12.6251      1.00000
     42     -12.2749      1.00000
     43     -12.2488      1.00000
     44     -11.5766      1.00000
     45     -11.5553      1.00000
     46     -11.5012      1.00000
     47     -10.8778      1.00000
     48     -10.8731      1.00000
     49     -10.6831      1.00000
     50     -10.5244      1.00000
     51     -10.5190      1.00000
     52     -10.4390      1.00000
     53     -10.4145      1.00000
     54     -10.3693      1.00000
     55     -10.2835      1.00000
     56     -10.0610      1.00000
     57      -9.8316      1.00000
     58      -9.5556      1.00000
     59      -9.4798      1.00000
     60      -9.4438      1.00000
     61      -9.3650      1.00000
     62      -9.3341      1.00000
     63      -9.3034      1.00000
     64      -9.3000      1.00000
     65      -9.2065      1.00000
     66      -9.1021      1.00000
     67      -9.0711      1.00000
     68      -9.0505      1.00000
     69      -8.8512      1.00000
     70      -8.8060      1.00000
     71      -8.7746      1.00000
     72      -8.5260      1.00000
     73      -8.4975      1.00000
     74      -8.2275      1.00000
     75      -8.1356      1.00000
     76      -8.0907      1.00000
     77      -7.8049      1.00000
     78      -7.7644      1.00000
     79      -7.7385      1.00000
     80      -7.7040      1.00000
     81      -7.6326      1.00000
     82      -7.6248      1.00000
     83      -7.3885      1.00000
     84      -7.3430      1.00000
     85      -7.2204      1.00000
     86      -6.8437      1.00000
     87      -6.8232      1.00000
     88      -6.6398      1.00000
     89      -6.5305      1.00000
     90      -6.3380      1.00000
     91      -6.2746      1.00000
     92      -6.1965      1.00000
     93      -6.1348      1.00000
     94      -6.0210      1.00000
     95      -5.6372      1.00000
     96      -5.5097      1.00000
     97      -5.2965      1.00000
     98      -5.1550      1.00000
     99      -5.0418      1.00000
    100      -4.7263      1.00000
    101      -4.6872      1.00000
    102      -4.3695      1.00000
    103      -4.1857      1.00000
    104      -4.0105      1.00000
    105      -3.8308      1.00000
    106      -3.4851      1.00000
    107      -2.1638      0.00000
    108      -1.3850      0.00000
    109      -1.2354      0.00000
    110      -1.1842      0.00000
    111      -1.0157      0.00000
    112      -0.9533      0.00000
    113      -0.7970      0.00000
    114      -0.7515      0.00000
    115      -0.3662      0.00000
    116       0.2434      0.00000
    117       0.2751      0.00000
    118       0.3639      0.00000
    119       0.6998      0.00000
    120       0.8702      0.00000
    121       0.9652      0.00000
    122       1.1274      0.00000
    123       1.2335      0.00000
    124       1.4583      0.00000
    125       1.5560      0.00000
    126       1.7826      0.00000
    127       1.8530      0.00000
    128       1.8849      0.00000
    129       1.9837      0.00000
    130       2.0291      0.00000
    131       2.1953      0.00000
    132       2.2140      0.00000
    133       2.4039      0.00000
    134       2.4439      0.00000
    135       2.5635      0.00000
    136       2.6569      0.00000
    137       2.6839      0.00000
    138       2.7267      0.00000
    139       2.7737      0.00000
    140       2.8627      0.00000
    141       2.9684      0.00000
    142       3.0857      0.00000
    143       3.1931      0.00000
    144       3.2436      0.00000
    145       3.2576      0.00000
    146       3.2969      0.00000
    147       3.3396      0.00000
    148       3.4836      0.00000
    149       3.5064      0.00000
    150       3.7023      0.00000
    151       3.7215      0.00000
    152       3.7706      0.00000
    153       3.8597      0.00000
    154       3.8770      0.00000
    155       3.9053      0.00000
    156       3.9984      0.00000
    157       4.0023      0.00000
    158       4.0574      0.00000
    159       4.0788      0.00000
    160       4.1354      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3194      1.00000
      2     -21.7610      1.00000
      3     -21.5678      1.00000
      4     -21.5408      1.00000
      5     -21.2050      1.00000
      6     -21.1661      1.00000
      7     -20.9844      1.00000
      8     -20.0978      1.00000
      9     -20.0590      1.00000
     10     -19.5483      1.00000
     11     -19.5280      1.00000
     12     -19.3423      1.00000
     13     -19.0278      1.00000
     14     -18.9890      1.00000
     15     -18.9777      1.00000
     16     -18.9707      1.00000
     17     -18.2971      1.00000
     18     -18.2834      1.00000
     19     -17.9424      1.00000
     20     -16.9977      1.00000
     21     -16.9563      1.00000
     22     -16.8827      1.00000
     23     -16.8701      1.00000
     24     -16.4200      1.00000
     25     -16.3972      1.00000
     26     -15.5433      1.00000
     27     -15.5399      1.00000
     28     -15.1711      1.00000
     29     -15.1697      1.00000
     30     -15.1272      1.00000
     31     -15.0335      1.00000
     32     -14.9982      1.00000
     33     -14.6361      1.00000
     34     -14.6292      1.00000
     35     -13.6648      1.00000
     36     -13.6548      1.00000
     37     -13.1654      1.00000
     38     -12.5713      1.00000
     39     -12.5111      1.00000
     40     -12.3828      1.00000
     41     -12.3825      1.00000
     42     -12.0356      1.00000
     43     -12.0315      1.00000
     44     -11.6619      1.00000
     45     -11.6214      1.00000
     46     -11.2088      1.00000
     47     -11.1593      1.00000
     48     -10.9517      1.00000
     49     -10.9379      1.00000
     50     -10.8642      1.00000
     51     -10.8317      1.00000
     52     -10.6260      1.00000
     53     -10.1454      1.00000
     54     -10.0822      1.00000
     55     -10.0202      1.00000
     56      -9.9441      1.00000
     57      -9.6300      1.00000
     58      -9.6275      1.00000
     59      -9.6022      1.00000
     60      -9.5437      1.00000
     61      -9.5068      1.00000
     62      -9.4802      1.00000
     63      -9.2715      1.00000
     64      -9.2302      1.00000
     65      -9.2039      1.00000
     66      -9.1892      1.00000
     67      -9.0623      1.00000
     68      -9.0426      1.00000
     69      -9.0391      1.00000
     70      -8.8760      1.00000
     71      -8.8184      1.00000
     72      -8.5387      1.00000
     73      -8.5368      1.00000
     74      -8.5040      1.00000
     75      -8.0238      1.00000
     76      -7.8379      1.00000
     77      -7.8001      1.00000
     78      -7.7762      1.00000
     79      -7.6988      1.00000
     80      -7.6802      1.00000
     81      -7.4150      1.00000
     82      -7.2846      1.00000
     83      -7.2473      1.00000
     84      -7.2042      1.00000
     85      -7.0807      1.00000
     86      -7.0764      1.00000
     87      -6.9461      1.00000
     88      -6.7113      1.00000
     89      -6.6754      1.00000
     90      -6.6302      1.00000
     91      -6.5561      1.00000
     92      -6.0686      1.00000
     93      -6.0284      1.00000
     94      -6.0061      1.00000
     95      -5.9411      1.00000
     96      -5.7991      1.00000
     97      -5.1829      1.00000
     98      -4.8963      1.00000
     99      -4.7948      1.00000
    100      -4.6091      1.00000
    101      -4.5133      1.00000
    102      -4.1422      1.00000
    103      -4.0912      1.00000
    104      -3.9323      1.00000
    105      -3.9181      1.00000
    106      -3.8298      1.00000
    107      -1.7517      0.00000
    108      -1.6954      0.00000
    109      -1.4119      0.00000
    110      -1.3707      0.00000
    111      -1.2652      0.00000
    112      -1.2344      0.00000
    113      -0.6247      0.00000
    114      -0.5946      0.00000
    115      -0.1925      0.00000
    116       0.0411      0.00000
    117       0.5831      0.00000
    118       0.7385      0.00000
    119       0.8479      0.00000
    120       0.9293      0.00000
    121       1.1684      0.00000
    122       1.2121      0.00000
    123       1.2493      0.00000
    124       1.4181      0.00000
    125       1.6013      0.00000
    126       1.6391      0.00000
    127       1.7030      0.00000
    128       1.8081      0.00000
    129       1.9219      0.00000
    130       1.9388      0.00000
    131       2.1475      0.00000
    132       2.1709      0.00000
    133       2.2586      0.00000
    134       2.2957      0.00000
    135       2.5514      0.00000
    136       2.5611      0.00000
    137       2.6353      0.00000
    138       2.7621      0.00000
    139       2.8128      0.00000
    140       2.8516      0.00000
    141       2.8935      0.00000
    142       2.9487      0.00000
    143       3.0189      0.00000
    144       3.0256      0.00000
    145       3.0820      0.00000
    146       3.3118      0.00000
    147       3.3744      0.00000
    148       3.4195      0.00000
    149       3.4864      0.00000
    150       3.5979      0.00000
    151       3.6618      0.00000
    152       3.6698      0.00000
    153       3.6862      0.00000
    154       3.9039      0.00000
    155       3.9727      0.00000
    156       4.0244      0.00000
    157       4.0733      0.00000
    158       4.2535      0.00000
    159       4.2587      0.00000
    160       4.2685      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1406      1.00000
      2     -22.0478      1.00000
      3     -21.8860      1.00000
      4     -21.3360      1.00000
      5     -20.9762      1.00000
      6     -20.9467      1.00000
      7     -20.4279      1.00000
      8     -20.3959      1.00000
      9     -20.2144      1.00000
     10     -20.2123      1.00000
     11     -19.8891      1.00000
     12     -19.8255      1.00000
     13     -18.8200      1.00000
     14     -18.7493      1.00000
     15     -18.2631      1.00000
     16     -18.2493      1.00000
     17     -18.0803      1.00000
     18     -18.0735      1.00000
     19     -17.7436      1.00000
     20     -17.7281      1.00000
     21     -17.1969      1.00000
     22     -17.1731      1.00000
     23     -17.0832      1.00000
     24     -17.0719      1.00000
     25     -16.0519      1.00000
     26     -15.8104      1.00000
     27     -15.8009      1.00000
     28     -15.7820      1.00000
     29     -15.1556      1.00000
     30     -14.4894      1.00000
     31     -14.4680      1.00000
     32     -14.2016      1.00000
     33     -13.9129      1.00000
     34     -13.8826      1.00000
     35     -13.7578      1.00000
     36     -13.7377      1.00000
     37     -13.5367      1.00000
     38     -13.5110      1.00000
     39     -13.3002      1.00000
     40     -12.5751      1.00000
     41     -12.1029      1.00000
     42     -12.0790      1.00000
     43     -12.0017      1.00000
     44     -11.9545      1.00000
     45     -11.5997      1.00000
     46     -11.5917      1.00000
     47     -11.0889      1.00000
     48     -11.0653      1.00000
     49     -10.7395      1.00000
     50     -10.6724      1.00000
     51     -10.5615      1.00000
     52     -10.1351      1.00000
     53     -10.1304      1.00000
     54     -10.1003      1.00000
     55      -9.9643      1.00000
     56      -9.9220      1.00000
     57      -9.9200      1.00000
     58      -9.7491      1.00000
     59      -9.7242      1.00000
     60      -9.6965      1.00000
     61      -9.6963      1.00000
     62      -9.4023      1.00000
     63      -9.3988      1.00000
     64      -9.0689      1.00000
     65      -8.9801      1.00000
     66      -8.9780      1.00000
     67      -8.9092      1.00000
     68      -8.8120      1.00000
     69      -8.6461      1.00000
     70      -8.6289      1.00000
     71      -8.5479      1.00000
     72      -8.5102      1.00000
     73      -8.4910      1.00000
     74      -8.3936      1.00000
     75      -8.3818      1.00000
     76      -8.2100      1.00000
     77      -8.1022      1.00000
     78      -8.0059      1.00000
     79      -7.9004      1.00000
     80      -7.8408      1.00000
     81      -7.6225      1.00000
     82      -7.5344      1.00000
     83      -7.4623      1.00000
     84      -7.2540      1.00000
     85      -6.9377      1.00000
     86      -6.8637      1.00000
     87      -6.8044      1.00000
     88      -6.4802      1.00000
     89      -6.4743      1.00000
     90      -6.4154      1.00000
     91      -6.3620      1.00000
     92      -6.1922      1.00000
     93      -5.8573      1.00000
     94      -5.7371      1.00000
     95      -5.7111      1.00000
     96      -5.5235      1.00000
     97      -5.3299      1.00000
     98      -5.1699      1.00000
     99      -5.1672      1.00000
    100      -5.1348      1.00000
    101      -4.6982      1.00000
    102      -4.3500      1.00000
    103      -4.2816      1.00000
    104      -4.0311      1.00000
    105      -3.8323      1.00000
    106      -3.2353      1.00000
    107      -2.4033      0.00000
    108      -1.3473      0.00000
    109      -1.2406      0.00000
    110      -1.1530      0.00000
    111      -1.1097      0.00000
    112      -0.5842      0.00000
    113      -0.5215      0.00000
    114      -0.4337      0.00000
    115      -0.2772      0.00000
    116      -0.0698      0.00000
    117      -0.0101      0.00000
    118       0.0620      0.00000
    119       0.5820      0.00000
    120       0.7094      0.00000
    121       0.8106      0.00000
    122       0.9426      0.00000
    123       1.1812      0.00000
    124       1.5124      0.00000
    125       1.6225      0.00000
    126       1.8540      0.00000
    127       2.0055      0.00000
    128       2.0515      0.00000
    129       2.1166      0.00000
    130       2.1537      0.00000
    131       2.2536      0.00000
    132       2.2844      0.00000
    133       2.3449      0.00000
    134       2.4663      0.00000
    135       2.6139      0.00000
    136       2.7007      0.00000
    137       2.8229      0.00000
    138       2.9188      0.00000
    139       2.9455      0.00000
    140       3.0392      0.00000
    141       3.0542      0.00000
    142       3.1558      0.00000
    143       3.1657      0.00000
    144       3.2273      0.00000
    145       3.2972      0.00000
    146       3.3133      0.00000
    147       3.3528      0.00000
    148       3.3714      0.00000
    149       3.4172      0.00000
    150       3.4430      0.00000
    151       3.5424      0.00000
    152       3.6109      0.00000
    153       3.7042      0.00000
    154       3.7360      0.00000
    155       3.8475      0.00000
    156       3.9086      0.00000
    157       3.9300      0.00000
    158       3.9592      0.00000
    159       4.1441      0.00000
    160       4.1778      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2134      1.00000
      2     -22.0081      1.00000
      3     -21.6466      1.00000
      4     -21.6155      1.00000
      5     -20.9098      1.00000
      6     -20.8691      1.00000
      7     -20.5387      1.00000
      8     -20.5052      1.00000
      9     -20.4995      1.00000
     10     -19.9605      1.00000
     11     -19.4430      1.00000
     12     -19.4208      1.00000
     13     -19.2420      1.00000
     14     -19.2347      1.00000
     15     -18.3741      1.00000
     16     -18.3390      1.00000
     17     -17.8599      1.00000
     18     -17.8436      1.00000
     19     -17.6888      1.00000
     20     -17.6528      1.00000
     21     -17.3731      1.00000
     22     -17.3587      1.00000
     23     -17.2624      1.00000
     24     -16.4180      1.00000
     25     -16.3945      1.00000
     26     -15.9020      1.00000
     27     -15.3467      1.00000
     28     -15.3418      1.00000
     29     -15.0342      1.00000
     30     -15.0245      1.00000
     31     -14.7735      1.00000
     32     -14.7716      1.00000
     33     -14.2348      1.00000
     34     -14.1838      1.00000
     35     -13.3851      1.00000
     36     -13.3303      1.00000
     37     -13.1127      1.00000
     38     -13.1046      1.00000
     39     -12.9163      1.00000
     40     -12.9104      1.00000
     41     -12.5464      1.00000
     42     -12.5386      1.00000
     43     -12.1275      1.00000
     44     -11.5205      1.00000
     45     -11.4758      1.00000
     46     -11.2505      1.00000
     47     -11.2187      1.00000
     48     -11.0803      1.00000
     49     -10.7092      1.00000
     50     -10.5991      1.00000
     51     -10.5113      1.00000
     52     -10.2468      1.00000
     53     -10.2430      1.00000
     54     -10.1225      1.00000
     55     -10.0582      1.00000
     56     -10.0419      1.00000
     57      -9.7847      1.00000
     58      -9.6835      1.00000
     59      -9.6706      1.00000
     60      -9.6337      1.00000
     61      -9.6239      1.00000
     62      -9.5859      1.00000
     63      -9.2925      1.00000
     64      -9.2800      1.00000
     65      -9.2632      1.00000
     66      -9.0662      1.00000
     67      -8.8913      1.00000
     68      -8.8803      1.00000
     69      -8.7186      1.00000
     70      -8.5823      1.00000
     71      -8.5355      1.00000
     72      -8.3504      1.00000
     73      -8.3056      1.00000
     74      -8.2436      1.00000
     75      -8.2355      1.00000
     76      -8.1976      1.00000
     77      -8.1841      1.00000
     78      -8.1747      1.00000
     79      -8.1082      1.00000
     80      -7.6885      1.00000
     81      -7.4193      1.00000
     82      -7.3402      1.00000
     83      -7.2542      1.00000
     84      -7.1622      1.00000
     85      -7.1112      1.00000
     86      -7.0057      1.00000
     87      -6.9056      1.00000
     88      -6.8489      1.00000
     89      -6.5501      1.00000
     90      -6.4913      1.00000
     91      -6.2142      1.00000
     92      -6.2096      1.00000
     93      -5.8932      1.00000
     94      -5.6750      1.00000
     95      -5.6079      1.00000
     96      -5.5813      1.00000
     97      -5.2516      1.00000
     98      -5.2304      1.00000
     99      -5.1642      1.00000
    100      -5.1346      1.00000
    101      -4.6014      1.00000
    102      -4.2513      1.00000
    103      -4.0478      1.00000
    104      -3.8870      1.00000
    105      -3.8446      1.00000
    106      -3.8025      1.00000
    107      -1.8067      0.00000
    108      -1.7792      0.00000
    109      -1.2274      0.00000
    110      -1.1725      0.00000
    111      -0.9755      0.00000
    112      -0.7363      0.00000
    113      -0.6498      0.00000
    114      -0.5953      0.00000
    115      -0.5482      0.00000
    116      -0.1526      0.00000
    117       0.1771      0.00000
    118       0.2893      0.00000
    119       0.7054      0.00000
    120       0.9483      0.00000
    121       1.1670      0.00000
    122       1.2762      0.00000
    123       1.3444      0.00000
    124       1.5138      0.00000
    125       1.6060      0.00000
    126       1.6271      0.00000
    127       1.6905      0.00000
    128       1.7792      0.00000
    129       1.8574      0.00000
    130       2.0780      0.00000
    131       2.1657      0.00000
    132       2.3160      0.00000
    133       2.3936      0.00000
    134       2.4252      0.00000
    135       2.5615      0.00000
    136       2.6236      0.00000
    137       2.6861      0.00000
    138       2.7518      0.00000
    139       2.8212      0.00000
    140       2.9158      0.00000
    141       3.0605      0.00000
    142       3.0682      0.00000
    143       3.1836      0.00000
    144       3.2790      0.00000
    145       3.3775      0.00000
    146       3.4125      0.00000
    147       3.4619      0.00000
    148       3.5584      0.00000
    149       3.5749      0.00000
    150       3.6264      0.00000
    151       3.6605      0.00000
    152       3.7002      0.00000
    153       3.7847      0.00000
    154       3.7994      0.00000
    155       3.8225      0.00000
    156       3.8954      0.00000
    157       3.8989      0.00000
    158       3.9779      0.00000
    159       4.1951      0.00000
    160       4.2364      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0400   -7.2553    3.9848   -1.1331   -0.1860   17.3762    0.4900   -0.8147    0.7721   -0.4774
x    -3.1247   -0.0256   -0.0213   -0.0253    0.0910   -3.0539    0.0297   -0.0244    0.0084    0.0018
x    -0.0951   -0.0028    0.0035   -0.0031    0.0022   -0.0243    0.0000    0.0000   -0.0001    0.0001
x    -0.0035   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0400    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0034    0.0000    0.0004    0.0007    0.0028   -0.0990   -0.0315    0.0620    0.0184
y     0.0229   -3.2427   -0.1791    0.1697   -2.4122   -0.6649
z   204.0400    1.7386    0.2897    0.0888   -0.0012    0.0780   -0.0019    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1048    0.0015   -0.0010   -0.0001    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0013   -0.0001    0.0001    0.0000
z    -0.0001    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  -16.6946
z     0.1377    0.2297   -0.0310    0.0576   -0.0907    0.0006
 total charge-density along one line
x   212.0000  -10.0861    5.9313   -1.9420   -0.4216   19.2961   -0.6596    0.2079    0.0670   -0.1068
x    -2.7044   -0.0093    0.0010   -0.0442    0.0965   -2.3445    0.0472   -0.0344    0.0118    0.0024
x    -0.0852   -0.0054    0.0083   -0.0079    0.0054   -0.0376    0.0000   -0.0001    0.0003   -0.0004
x    -0.0055    0.0000   -0.0002    0.0001    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  -10.0861    5.9313   -1.9420   -0.4216   19.2961   -0.6596    0.2079    0.0670   -0.1068
y    -2.7044   -0.0093    0.0010   -0.0442    0.0965   -2.3445    0.0472   -0.0344    0.0118    0.0024
y    -0.0852   -0.0054    0.0083   -0.0079    0.0054   -0.0376    0.0000   -0.0001    0.0003   -0.0004
y    -0.0055    0.0000   -0.0002    0.0001    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 -205.3090  188.8791 -170.1745  154.0882 -140.4018  126.4933 -111.0132   94.7462  -79.0850
z    64.7219  -51.7883   40.5544  -31.5039   24.7823  -19.8576   15.8596  -12.2139    8.9093   -6.2235
z     4.2920   -2.9592    1.9609   -1.1527    0.5422   -0.1570   -0.0611    0.2213   -0.3835    0.5185
z    -0.5687    0.5255   -0.4416    0.3770   -0.3478    0.3292   -0.2950    0.2452   -0.1976    0.1643
z    -0.1415    0.1197   -0.0959    0.0749   -0.0611    0.0533   -0.0469    0.0392   -0.0314    0.0258
z    -0.0227    0.0203   -0.0173    0.0141   -0.0113    0.0093   -0.0076    0.0058   -0.0043    0.0032
z    -0.0022    0.0013   -0.0004   -0.0002    0.0004   -0.0004    0.0005   -0.0008    0.0009   -0.0007
z     0.0004   -0.0002    0.0001   -0.0001    0.0000    0.0001   -0.0003    0.0003   -0.0004    0.0003
z    -0.0003    0.0003   -0.0002    0.0002   -0.0002    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001
z     0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 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
-10.941   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.270   0.000  -0.101   0.000   0.000   0.239   0.000
  0.041   0.000 -11.246   0.000  -0.024  -0.006   0.000   0.238
  0.000  -0.101   0.000 -11.153   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.938   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.238   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.226   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.199   0.000   0.000   0.000
  0.036   0.000   0.101   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.025   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.941   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.270   0.000  -0.101   0.000   0.000   0.239   0.000
  0.041   0.000 -11.246   0.000  -0.024  -0.006   0.000   0.238
  0.000  -0.101   0.000 -11.153   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.938   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.238   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.226   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.199   0.000   0.000   0.000
  0.036   0.000   0.101   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.025   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.960   0.000  -0.027   0.000   0.002   0.021   0.000   0.057   0.000  -0.014  -0.026   0.025   0.000  -0.001   0.000   0.000
  0.000   1.586   0.000  -0.146   0.000   0.000   0.594   0.000   0.259   0.000   0.000   0.000   0.160   0.000   0.106  -0.035
 -0.027   0.000   1.788   0.000   0.018   0.044   0.000   0.356   0.000  -0.027  -0.233  -0.044   0.000   0.096   0.000   0.000
  0.000  -0.146   0.000   1.755   0.000   0.000   0.259   0.000   0.295   0.000   0.000   0.000   0.108   0.000   0.038   0.005
  0.002   0.000   0.018   0.000   1.966  -0.014   0.000  -0.035   0.000   0.003   0.010  -0.015   0.000   0.003   0.000   0.000
  0.021   0.000   0.044   0.000  -0.014   0.063   0.000   0.101   0.000  -0.024   0.191  -0.052   0.000   0.116   0.000   0.000
  0.000   0.594   0.000   0.259   0.000   0.000   0.329   0.000   0.106   0.000   0.000   0.000   0.056   0.000   0.066  -0.011
  0.057   0.000   0.356   0.000  -0.035   0.101   0.000   0.566   0.000  -0.057   0.703  -0.294   0.000   0.087   0.000   0.000
  0.000   0.259   0.000   0.295   0.000   0.000   0.106   0.000   0.208   0.000   0.000   0.000   0.065   0.000  -0.020  -0.006
 -0.014   0.000  -0.027   0.000   0.003  -0.024   0.000  -0.057   0.000   0.036  -0.109   0.030   0.000  -0.068   0.000   0.000
 -0.026   0.000  -0.233   0.000   0.010   0.191   0.000   0.703   0.000  -0.109   1.352  -0.433   0.000   0.265   0.000   0.000
  0.025   0.000  -0.044   0.000  -0.015  -0.052   0.000  -0.294   0.000   0.030  -0.433   0.193   0.000  -0.033   0.000   0.000
  0.000   0.160   0.000   0.108   0.000   0.000   0.056   0.000   0.065   0.000   0.000   0.000   0.043   0.000   0.011  -0.004
 -0.001   0.000   0.096   0.000   0.003   0.116   0.000   0.087   0.000  -0.068   0.265  -0.033   0.000   0.311   0.000   0.000
  0.000   0.106   0.000   0.038   0.000   0.000   0.066   0.000  -0.020   0.000   0.000   0.000   0.011   0.000   0.031  -0.002
  0.000  -0.035   0.000   0.005   0.000   0.000  -0.011   0.000  -0.006   0.000   0.000   0.000  -0.004   0.000  -0.002   0.001
  0.001   0.000  -0.037   0.000  -0.001  -0.005   0.000  -0.009   0.000   0.003  -0.006   0.000   0.000  -0.014   0.000   0.000
  0.000   0.005   0.000  -0.041   0.000   0.000  -0.006   0.000  -0.004   0.000   0.000   0.000  -0.002   0.000  -0.002   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        0.639   0.278   8.026   8.943
  2        0.514   0.028   0.000   0.542
  3        0.514   0.028   0.000   0.542
  4        0.864   1.783   0.000   2.647
  5        0.864   1.783   0.000   2.646
  6        0.864   1.782   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   1.783   0.000   2.647
 10        0.864   1.784   0.000   2.647
 11        0.863   1.783   0.000   2.646
 12        0.864   1.784   0.000   2.648
 13        0.864   1.783   0.000   2.646
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.863   1.777   0.000   2.640
 17        0.856   1.772   0.000   2.629
 18        0.864   1.784   0.000   2.647
 19        0.864   1.782   0.000   2.646
 20        0.864   1.782   0.000   2.645
 21        0.863   1.781   0.000   2.644
 22        0.863   1.776   0.000   2.639
 23        0.863   1.783   0.000   2.646
 24        0.864   1.783   0.000   2.646
 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   1.783   0.000   2.647
 29        0.864   1.783   0.000   2.646
 30        0.864   1.783   0.000   2.647
 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   1.782   0.000   2.646
 35        0.863   1.783   0.000   2.646
 36        0.863   1.776   0.000   2.639
 37        0.863   1.781   0.000   2.644
 38        0.864   1.782   0.000   2.645
 39        0.864   1.784   0.000   2.648
 40        0.864   1.784   0.000   2.647
 41        0.856   1.772   0.000   2.629
 42        0.863   1.777   0.000   2.640
 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   2.646
 46        0.864   1.784   0.000   2.648
 47        0.863   1.783   0.000   2.646
 48        0.864   1.784   0.000   2.647
 49        0.864   1.783   0.000   2.647
 50        0.864   1.783   0.000   2.647
 51        0.864   1.784   0.000   2.648
 52        0.864   1.782   0.000   2.646
 53        0.864   1.783   0.000   2.646
------------------------------------------------
tot       44.831  89.434   8.026 142.292
 


 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  114.56: CPU time   57.61
    FORLOC:  VPU time    1.26: CPU time    1.26
    FORNL :  VPU time  444.17: CPU time  222.79
    STRESS:  VPU time 1328.10: CPU time  669.25
    FORCOR:  VPU time    8.66: CPU time    8.66
    FORHAR:  VPU time    2.28: CPU time    2.28
    MIXING:  VPU time    0.21: CPU time    0.21
 d Force = 0.4116444E-01[ 0.219E-02, 0.801E-01]  d Energy = 0.4961069E-01-0.845E-02
 d Force =-0.1274471E+01[-0.146E+01,-0.109E+01]  d Ewald  =-0.1246228E+02 0.112E+02


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.644388 eV

  energy  without entropy=     -471.644388  energy(sigma->0) =     -471.644388
 

  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    40728.18  40745.87 -47429.96     15.32      0.00      0.00
  Hartree  40194.89  40198.71 -39449.34      3.31      0.00      0.00
  E(xc)     -779.75   -779.54   -807.26      0.18      0.00      0.00
  Local   -83216.43 -83231.64  84196.76    -13.17      0.00      0.00
  n-local   -215.83   -215.59   -203.79     -0.04      0.00      0.00
  augment     22.09     20.53     17.34     -1.35      0.00      0.00
  Kinetic   3169.25   3170.83   3582.12     -7.10      0.00      0.00
  -------------------------------------------------------------------------------------
  Total        0.12     -0.66     -0.19     -0.68      0.00      0.00
  in kB        0.07     -0.40     -0.12     -0.41      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
    12.345630967  0.005358530  0.000000000     0.080980042  0.046707063  0.000000000
    -6.168181503 10.694305362  0.000000000    -0.000040576  0.093484306  0.000000000
     0.000000000  0.000000000 19.976085419     0.000000000  0.000000000  0.050059858

  length of vectors
    12.345632130 12.345632030 19.976085419     0.093484314  0.093484315  0.050059858


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.296E-05 -.464E-04 -.960E+03   0.436E-05 -.275E-04 0.968E+03   -.847E-21 0.000E+00 -.785E+01   0.337E-07 -.210E-07 0.482E-02
   -.175E+02 -.304E+02 -.136E+03   0.184E+02 0.318E+02 0.139E+03   -.828E+00 -.143E+01 -.258E+01   -.163E-03 -.283E-03 -.734E-03
   0.175E+02 0.304E+02 -.136E+03   -.184E+02 -.318E+02 0.139E+03   0.828E+00 0.143E+01 -.258E+01   0.163E-03 0.283E-03 -.734E-03
   -.189E+01 0.109E+01 0.169E+02   0.190E+01 -.110E+01 -.168E+02   -.480E-02 0.277E-02 -.680E-02   0.340E-03 -.199E-03 0.500E-03
   0.588E+01 0.685E+01 0.195E+02   -.588E+01 -.689E+01 -.195E+02   0.103E-01 0.312E-01 -.208E-01   0.230E-02 -.132E-02 0.659E-03
   0.113E+02 0.503E+01 0.183E+02   -.113E+02 -.504E+01 -.183E+02   0.288E-01 0.676E-02 -.553E-01   0.245E-02 -.322E-02 0.215E-03
   0.460E+01 -.107E+01 0.164E+02   -.462E+01 0.108E+01 -.164E+02   0.248E-01 -.201E-01 -.304E-02   0.868E-03 -.103E-02 -.202E-03
   -.284E+01 -.246E+01 0.148E+02   0.287E+01 0.247E+01 -.148E+02   -.970E-02 -.177E-01 -.305E-02   0.151E-03 0.543E-03 0.798E-04
   0.708E+00 0.369E+01 0.148E+02   -.707E+00 -.372E+01 -.148E+02   0.105E-01 0.172E-01 -.305E-02   -.400E-03 -.407E-03 0.763E-04
   0.282E+01 0.182E+02 0.245E+02   -.282E+01 -.183E+02 -.245E+02   0.136E-01 0.106E+00 -.125E-01   -.782E-03 -.584E-03 0.635E-03
   0.215E+02 0.226E+02 0.400E+02   -.216E+02 -.228E+02 -.400E+02   0.120E+00 0.228E+00 -.140E-01   0.202E-02 -.399E-02 0.704E-03
   0.266E+02 -.456E+01 0.271E+02   -.268E+02 0.468E+01 -.271E+02   0.242E+00 -.121E+00 -.552E-01   0.123E-02 -.267E-02 -.257E-03
   0.927E+01 -.535E+01 0.155E+02   -.929E+01 0.536E+01 -.155E+02   0.218E-01 -.126E-01 0.149E-02   -.710E-04 0.352E-04 -.351E-03
   0.323E+01 -.345E+01 0.164E+02   -.324E+01 0.346E+01 -.164E+02   0.298E-01 -.114E-01 -.304E-02   0.132E-02 -.243E-03 -.210E-03
   -.598E+01 0.132E+02 0.201E+02   0.599E+01 -.132E+02 -.201E+02   -.891E-03 0.727E-01 -.732E-02   0.144E-03 -.234E-02 -.172E-03
   -.122E+02 0.335E+02 0.463E+02   0.123E+02 -.342E+02 -.466E+02   -.868E-01 0.680E+00 0.355E+00   -.222E-02 -.759E-03 0.308E-03
   0.266E+02 -.154E+02 0.695E+02   -.276E+02 0.159E+02 -.716E+02   0.981E+00 -.566E+00 0.210E+01   0.355E-02 -.205E-02 0.111E-02
   0.172E+02 -.208E+02 0.271E+02   -.175E+02 0.209E+02 -.271E+02   0.226E+00 -.149E+00 -.552E-01   0.292E-02 0.264E-03 -.262E-03
   0.131E+01 -.123E+02 0.183E+02   -.131E+01 0.123E+02 -.183E+02   0.854E-02 -.283E-01 -.553E-01   0.402E-02 -.517E-03 0.210E-03
   -.381E+01 0.151E+01 0.144E+02   0.382E+01 -.152E+01 -.143E+02   -.273E-02 0.989E-03 -.398E-01   0.291E-02 -.174E-02 -.219E-03
   -.181E+02 0.105E+02 0.210E+02   0.182E+02 -.105E+02 -.209E+02   -.605E-01 0.349E-01 -.130E+00   0.237E-02 -.137E-02 -.530E-03
   -.351E+02 -.617E+01 0.463E+02   0.357E+02 0.643E+01 -.466E+02   -.632E+00 -.265E+00 0.355E+00   -.452E-03 0.231E-02 0.311E-03
   -.879E+01 -.299E+02 0.400E+02   0.893E+01 0.301E+02 -.400E+02   -.137E+00 -.218E+00 -.140E-01   0.447E-02 0.242E-03 0.703E-03
   -.299E+01 -.852E+01 0.195E+02   0.302E+01 0.854E+01 -.195E+02   -.219E-01 -.245E-01 -.208E-01   0.230E-02 -.133E-02 0.659E-03
   0.134E+01 -.772E+00 0.146E+02   -.133E+01 0.769E+00 -.146E+02   0.207E-02 -.119E-02 -.313E-01   0.300E-02 -.173E-02 0.215E-03
   -.322E+01 0.255E+01 0.144E+02   0.322E+01 -.255E+01 -.143E+02   -.222E-02 0.187E-02 -.398E-01   0.296E-02 -.165E-02 -.214E-03
   -.144E+02 -.140E+01 0.201E+02   0.145E+02 0.143E+01 -.201E+02   -.634E-01 -.356E-01 -.732E-02   0.210E-02 0.104E-02 -.165E-03
   -.143E+02 -.115E+02 0.245E+02   0.144E+02 0.116E+02 -.245E+02   -.849E-01 -.647E-01 -.125E-01   0.116E-03 0.964E-03 0.638E-03
   0.299E+01 0.852E+01 0.195E+02   -.302E+01 -.854E+01 -.195E+02   0.219E-01 0.245E-01 -.208E-01   -.230E-02 0.133E-02 0.659E-03
   0.143E+02 0.115E+02 0.245E+02   -.144E+02 -.116E+02 -.245E+02   0.849E-01 0.647E-01 -.125E-01   -.116E-03 -.965E-03 0.638E-03
   0.144E+02 0.140E+01 0.201E+02   -.145E+02 -.143E+01 -.201E+02   0.634E-01 0.356E-01 -.732E-02   -.210E-02 -.104E-02 -.164E-03
   0.322E+01 -.255E+01 0.144E+02   -.322E+01 0.255E+01 -.143E+02   0.222E-02 -.187E-02 -.398E-01   -.296E-02 0.165E-02 -.214E-03
   -.134E+01 0.772E+00 0.146E+02   0.133E+01 -.769E+00 -.146E+02   -.207E-02 0.119E-02 -.313E-01   -.300E-02 0.173E-02 0.215E-03
   -.131E+01 0.123E+02 0.183E+02   0.131E+01 -.123E+02 -.183E+02   -.854E-02 0.283E-01 -.553E-01   -.402E-02 0.517E-03 0.210E-03
   0.879E+01 0.299E+02 0.400E+02   -.894E+01 -.301E+02 -.400E+02   0.137E+00 0.218E+00 -.140E-01   -.447E-02 -.242E-03 0.703E-03
   0.351E+02 0.617E+01 0.463E+02   -.357E+02 -.643E+01 -.466E+02   0.632E+00 0.265E+00 0.355E+00   0.453E-03 -.231E-02 0.311E-03
   0.181E+02 -.105E+02 0.210E+02   -.182E+02 0.105E+02 -.209E+02   0.605E-01 -.349E-01 -.130E+00   -.237E-02 0.137E-02 -.530E-03
   0.381E+01 -.151E+01 0.144E+02   -.382E+01 0.152E+01 -.143E+02   0.273E-02 -.989E-03 -.398E-01   -.291E-02 0.174E-02 -.219E-03
   -.323E+01 0.345E+01 0.164E+02   0.324E+01 -.346E+01 -.164E+02   -.298E-01 0.114E-01 -.304E-02   -.132E-02 0.243E-03 -.210E-03
   -.172E+02 0.208E+02 0.271E+02   0.175E+02 -.209E+02 -.271E+02   -.226E+00 0.149E+00 -.552E-01   -.292E-02 -.264E-03 -.262E-03
   -.266E+02 0.154E+02 0.695E+02   0.276E+02 -.159E+02 -.716E+02   -.981E+00 0.566E+00 0.210E+01   -.355E-02 0.205E-02 0.111E-02
   0.122E+02 -.335E+02 0.463E+02   -.123E+02 0.342E+02 -.466E+02   0.868E-01 -.680E+00 0.355E+00   0.223E-02 0.759E-03 0.308E-03
   0.598E+01 -.132E+02 0.201E+02   -.599E+01 0.132E+02 -.201E+02   0.891E-03 -.727E-01 -.732E-02   -.144E-03 0.234E-02 -.172E-03
   -.708E+00 -.369E+01 0.148E+02   0.707E+00 0.372E+01 -.148E+02   -.105E-01 -.172E-01 -.305E-02   0.400E-03 0.407E-03 0.763E-04
   -.927E+01 0.535E+01 0.155E+02   0.929E+01 -.536E+01 -.155E+02   -.218E-01 0.126E-01 0.149E-02   0.707E-04 -.350E-04 -.351E-03
   -.266E+02 0.456E+01 0.271E+02   0.268E+02 -.468E+01 -.271E+02   -.242E+00 0.121E+00 -.552E-01   -.123E-02 0.267E-02 -.257E-03
   -.215E+02 -.226E+02 0.400E+02   0.216E+02 0.228E+02 -.400E+02   -.120E+00 -.228E+00 -.140E-01   -.202E-02 0.399E-02 0.704E-03
   -.282E+01 -.182E+02 0.245E+02   0.282E+01 0.183E+02 -.245E+02   -.136E-01 -.106E+00 -.125E-01   0.782E-03 0.584E-03 0.635E-03
   0.189E+01 -.109E+01 0.169E+02   -.190E+01 0.110E+01 -.168E+02   0.480E-02 -.277E-02 -.680E-02   -.340E-03 0.199E-03 0.500E-03
   0.284E+01 0.246E+01 0.148E+02   -.287E+01 -.247E+01 -.148E+02   0.970E-02 0.177E-01 -.305E-02   -.151E-03 -.543E-03 0.798E-04
   -.460E+01 0.107E+01 0.164E+02   0.462E+01 -.108E+01 -.164E+02   -.248E-01 0.201E-01 -.304E-02   -.868E-03 0.103E-02 -.202E-03
   -.113E+02 -.503E+01 0.183E+02   0.113E+02 0.504E+01 -.183E+02   -.288E-01 -.676E-02 -.553E-01   -.245E-02 0.322E-02 0.215E-03
   -.588E+01 -.685E+01 0.195E+02   0.588E+01 0.689E+01 -.195E+02   -.103E-01 -.312E-01 -.208E-01   -.230E-02 0.132E-02 0.659E-03
 -----------------------------------------------------------------------------------------------
   -.183E-02 0.317E-03 0.855E+01   0.107E-12 0.675E-13 0.210E-12   -.397E-15 0.486E-16 -.858E+01   0.229E-07 -.734E-08 0.122E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85447      6.06243     12.33159         0.000000      0.000000      0.020614
      2.26174      6.76785     13.65119         0.004293      0.007436      0.009242
      1.44720      5.35701     13.65119        -0.004293     -0.007436      0.009242
      0.00037     -0.00021      9.95759         0.010882     -0.006283     -0.003150
     11.11103      2.14313      9.95943         0.010224     -0.004868     -0.004021
      9.87634      4.28273      9.97085         0.011736     -0.007604     -0.001002
      8.64381      6.42208      9.96976         0.011868     -0.007025     -0.000289
     -4.93313      8.55564      9.96567         0.011778     -0.005879     -0.002486
      2.46967     -0.00025      9.96567         0.010981     -0.007261     -0.002486
      1.23499      2.13697      9.97063         0.010506     -0.010401     -0.003584
     -0.00287      4.27568      9.99840         0.010533     -0.002647      0.004783
     -1.23658      6.41685     10.00444         0.012884     -0.004770      0.002984
     -2.46436      8.55591      9.97806         0.009268     -0.005351     -0.000955
      4.93767      0.00286      9.96976         0.012018     -0.006765     -0.000289
      3.70478      2.13805      9.97750         0.012041     -0.007141      0.002020
      2.47149      4.26458     10.04205         0.009076     -0.003812      0.003276
      1.22989      6.42303     10.11481         0.011007     -0.006355     -0.012042
      0.00201      8.56214     10.00444         0.010573     -0.008773      0.002984
      7.40668      0.00514      9.97085         0.012454     -0.006362     -0.001002
      6.17298      2.14237      9.97092         0.011443     -0.004804     -0.000612
      4.94079      4.28055      9.99898         0.009086     -0.005246     -0.003031
      3.71996      6.42701     10.04205         0.007839     -0.005954      0.003276
      2.47317      8.56431      9.99840         0.007559     -0.007798      0.004783
      9.87697      0.00567      9.95943         0.009327     -0.006420     -0.004021
      8.64191      2.14370      9.96217         0.010233     -0.005908     -0.002509
      7.40860      4.28252      9.97092         0.009882     -0.007508     -0.000612
      6.17824      6.42220      9.97750         0.012205     -0.006857      0.002020
      4.94428      8.56164      9.97063         0.014261     -0.003898     -0.003584
      0.00015      1.42488      9.95943        -0.009327      0.006420     -0.004021
     -1.23533      3.56321      9.97063        -0.014261      0.003898     -0.003584
     -2.46930      5.70266      9.97750        -0.012205      0.006857      0.002020
     -3.69966      7.84233      9.97092        -0.009882      0.007508     -0.000612
     -4.93297      9.98115      9.96217        -0.010233      0.005908     -0.002509
      2.47045      1.42541      9.97085        -0.012454      0.006362     -0.001002
      1.23578      3.56055      9.99840        -0.007559      0.007798      0.004783
     -0.01102      5.69785     10.04205        -0.007839      0.005954      0.003276
     -1.23184      7.84431      9.99898        -0.009086      0.005246     -0.003031
     -2.46404      9.98249      9.97092        -0.011443      0.004804     -0.000612
      4.93945      1.42769      9.96976        -0.012018      0.006765     -0.000289
      3.70693      3.56271     10.00444        -0.010573      0.008773      0.002984
      2.47905      5.70183     10.11481        -0.011007      0.006355     -0.012042
      1.23746      7.86028     10.04205        -0.009076      0.003812      0.003276
      0.00416      9.98681      9.97750        -0.012041      0.007141      0.002020
      7.40746      1.43080      9.96567        -0.010981      0.007261     -0.002486
      6.17330      3.56895      9.97806        -0.009268      0.005351     -0.000955
      4.94552      5.70801     10.00444        -0.012884      0.004770      0.002984
      3.71181      7.84918      9.99840        -0.010533      0.002647      0.004783
      2.47395      9.98789      9.97063        -0.010506      0.010401     -0.003584
      9.87676      1.43076      9.95759        -0.010882      0.006283     -0.003150
      8.64207      3.56922      9.96567        -0.011778      0.005879     -0.002486
      7.41076      5.70813      9.96976        -0.011868      0.007025     -0.000289
      6.17823      7.84749      9.97085        -0.011736      0.007604     -0.001002
      4.94354      9.98709      9.95943        -0.010224      0.004868     -0.004021
 -----------------------------------------------------------------------------------
    total drift:                               -0.001831      0.000317     -0.014636


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




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


    WAVPRE:  VPU time    1.94: CPU time    1.94
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.36: CPU time    1.36
    ORTHCH:  VPU time  184.65: CPU time   92.45
     LOOP+:  VPU time11502.15: CPU time 5924.54


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


    POTLOK:  VPU time    9.25: CPU time    9.15
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1439.93: CPU time  743.43
 BZINTS: Fermi energy: -3.154471;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  115.42: CPU time   58.34
    MIXING:  VPU time    0.16: CPU time    0.16
    ------------------------------------------
      LOOP:  VPU time 1565.17: CPU time  811.46

 eigenvalue-minimisations  :  4200
 total energy-change (2. order) :-0.4716444E+03  (-0.4555254E-05)
 number of electron  212.0000029 magnetization    0.0000000
 augmentation part     7.9599806 magnetization   -0.0000001

 Broyden mixing:
  rms(total) = 0.29951E-03    rms(broyden)= 0.29947E-03
  rms(prec ) = 0.33732E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34044.04729737
  -1/2 Hartree   DENC   =    -40944.10159166
  -V(xc)+E(xc)   XCENC  =       726.60443862
  PAW double counting   =      4092.78189908    -4131.16732848
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.24895649
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64438796 eV

  energy without entropy =     -471.64438796  energy(sigma->0) =     -471.64438796


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




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


    POTLOK:  VPU time    9.14: CPU time    9.14
    SETDIJ:  VPU time    0.35: CPU time    0.34
    EDDAV :  VPU time 1385.49: CPU time  715.31
 BZINTS: Fermi energy: -3.154582;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1395.04: CPU time  724.83

 eigenvalue-minimisations  :  4080
 total energy-change (2. order) :-0.1097835E-05  (-0.6785540E-06)
 number of electron  212.0000029 magnetization    0.0000000
 augmentation part     7.9599806 magnetization   -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34044.04729737
  -1/2 Hartree   DENC   =    -40944.11510434
  -V(xc)+E(xc)   XCENC  =       726.60458039
  PAW double counting   =      4092.77460321    -4131.16000492
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.23561437
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64438906 eV

  energy without entropy =     -471.64438906  energy(sigma->0) =     -471.64438906


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




 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 -58.5433       2 -39.9849       3 -39.9848       4 -58.2440       5 -58.2484
       6 -58.2559       7 -58.2468       8 -58.2449       9 -58.2449      10 -58.2606
      11 -58.3153      12 -58.2927      13 -58.2501      14 -58.2468      15 -58.2578
      16 -58.4382      17 -58.7325      18 -58.2927      19 -58.2559      20 -58.2504
      21 -58.2777      22 -58.4382      23 -58.3153      24 -58.2484      25 -58.2436
      26 -58.2504      27 -58.2578      28 -58.2607      29 -58.2483      30 -58.2605
      31 -58.2577      32 -58.2504      33 -58.2435      34 -58.2558      35 -58.3152
      36 -58.4382      37 -58.2776      38 -58.2503      39 -58.2467      40 -58.2926
      41 -58.7324      42 -58.4382      43 -58.2577      44 -58.2448      45 -58.2499
      46 -58.2926      47 -58.3152      48 -58.2605      49 -58.2439      50 -58.2448
      51 -58.2467      52 -58.2558      53 -58.2483
 
 
 
 E-fermi :  -3.1546     XC(G=0):  -2.3418     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     -22.3559      1.00000
      2     -21.5363      1.00000
      3     -21.4061      1.00000
      4     -21.4060      1.00000
      5     -21.3748      1.00000
      6     -21.3648      1.00000
      7     -21.3578      1.00000
      8     -19.6463      1.00000
      9     -19.5704      1.00000
     10     -19.5663      1.00000
     11     -19.5571      1.00000
     12     -19.5393      1.00000
     13     -19.5378      1.00000
     14     -18.7286      1.00000
     15     -18.6767      1.00000
     16     -18.6732      1.00000
     17     -18.6595      1.00000
     18     -18.6437      1.00000
     19     -18.6391      1.00000
     20     -16.5884      1.00000
     21     -16.5235      1.00000
     22     -16.5228      1.00000
     23     -16.5133      1.00000
     24     -16.4856      1.00000
     25     -16.4844      1.00000
     26     -15.5570      1.00000
     27     -15.5269      1.00000
     28     -15.5258      1.00000
     29     -15.5001      1.00000
     30     -15.4926      1.00000
     31     -15.4890      1.00000
     32     -14.2053      1.00000
     33     -14.1805      1.00000
     34     -14.1696      1.00000
     35     -14.1672      1.00000
     36     -14.1564      1.00000
     37     -14.1469      1.00000
     38     -11.8840      1.00000
     39     -11.8078      1.00000
     40     -11.7931      1.00000
     41     -11.7917      1.00000
     42     -11.7883      1.00000
     43     -11.7828      1.00000
     44     -11.7075      1.00000
     45     -11.6954      1.00000
     46     -11.6691      1.00000
     47     -11.6640      1.00000
     48     -11.6566      1.00000
     49     -11.6468      1.00000
     50     -10.6750      1.00000
     51     -10.3278      1.00000
     52     -10.3217      1.00000
     53     -10.3063      1.00000
     54     -10.3018      1.00000
     55     -10.2918      1.00000
     56     -10.2777      1.00000
     57      -9.9286      1.00000
     58      -9.3724      1.00000
     59      -9.3597      1.00000
     60      -9.3002      1.00000
     61      -9.2912      1.00000
     62      -9.2846      1.00000
     63      -9.0886      1.00000
     64      -9.0636      1.00000
     65      -9.0461      1.00000
     66      -9.0298      1.00000
     67      -9.0034      1.00000
     68      -9.0011      1.00000
     69      -8.9983      1.00000
     70      -8.9958      1.00000
     71      -8.9925      1.00000
     72      -8.9681      1.00000
     73      -8.9680      1.00000
     74      -8.9525      1.00000
     75      -8.5008      1.00000
     76      -7.5186      1.00000
     77      -7.4148      1.00000
     78      -7.4067      1.00000
     79      -7.4004      1.00000
     80      -7.3813      1.00000
     81      -7.3593      1.00000
     82      -7.3405      1.00000
     83      -7.3124      1.00000
     84      -7.2693      1.00000
     85      -7.2054      1.00000
     86      -7.1799      1.00000
     87      -7.1796      1.00000
     88      -7.0757      1.00000
     89      -6.5082      1.00000
     90      -6.4623      1.00000
     91      -6.3562      1.00000
     92      -6.2941      1.00000
     93      -6.2867      1.00000
     94      -6.2854      1.00000
     95      -5.8926      1.00000
     96      -5.8892      1.00000
     97      -5.0509      1.00000
     98      -4.9394      1.00000
     99      -4.5404      1.00000
    100      -4.3418      1.00000
    101      -4.3176      1.00000
    102      -4.3167      1.00000
    103      -4.1162      1.00000
    104      -3.9140      1.00000
    105      -3.9001      1.00000
    106      -3.8364      1.00000
    107      -1.6828      0.00000
    108      -1.6671      0.00000
    109      -1.5373      0.00000
    110      -1.5333      0.00000
    111      -1.5228      0.00000
    112      -1.5093      0.00000
    113      -0.5859      0.00000
    114       0.1370      0.00000
    115       0.2039      0.00000
    116       0.3244      0.00000
    117       0.3289      0.00000
    118       0.3325      0.00000
    119       0.4944      0.00000
    120       0.5947      0.00000
    121       1.2603      0.00000
    122       1.2751      0.00000
    123       1.5266      0.00000
    124       1.7962      0.00000
    125       1.8044      0.00000
    126       1.8066      0.00000
    127       1.8096      0.00000
    128       1.9459      0.00000
    129       1.9769      0.00000
    130       2.0313      0.00000
    131       2.0451      0.00000
    132       2.0509      0.00000
    133       2.0548      0.00000
    134       2.0606      0.00000
    135       2.3085      0.00000
    136       2.3232      0.00000
    137       2.6084      0.00000
    138       2.6227      0.00000
    139       2.6436      0.00000
    140       2.7311      0.00000
    141       2.8554      0.00000
    142       3.0266      0.00000
    143       3.0675      0.00000
    144       3.0736      0.00000
    145       3.0945      0.00000
    146       3.1142      0.00000
    147       3.1152      0.00000
    148       3.2322      0.00000
    149       3.4483      0.00000
    150       3.5515      0.00000
    151       3.7863      0.00000
    152       3.9476      0.00000
    153       3.9478      0.00000
    154       3.9724      0.00000
    155       3.9783      0.00000
    156       4.0020      0.00000
    157       4.1764      0.00000
    158       4.2731      0.00000
    159       4.2854      0.00000
    160       4.2859      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3193      1.00000
      2     -21.7610      1.00000
      3     -21.5699      1.00000
      4     -21.5370      1.00000
      5     -21.2072      1.00000
      6     -21.1622      1.00000
      7     -20.9871      1.00000
      8     -20.1017      1.00000
      9     -20.0573      1.00000
     10     -19.5449      1.00000
     11     -19.5200      1.00000
     12     -19.3498      1.00000
     13     -19.0251      1.00000
     14     -18.9878      1.00000
     15     -18.9814      1.00000
     16     -18.9686      1.00000
     17     -18.2973      1.00000
     18     -18.2762      1.00000
     19     -17.9534      1.00000
     20     -17.0114      1.00000
     21     -16.9605      1.00000
     22     -16.8816      1.00000
     23     -16.8643      1.00000
     24     -16.4041      1.00000
     25     -16.3863      1.00000
     26     -15.5492      1.00000
     27     -15.5352      1.00000
     28     -15.1973      1.00000
     29     -15.1701      1.00000
     30     -15.1164      1.00000
     31     -15.0293      1.00000
     32     -15.0031      1.00000
     33     -14.6347      1.00000
     34     -14.6223      1.00000
     35     -13.6669      1.00000
     36     -13.6498      1.00000
     37     -13.1722      1.00000
     38     -12.5529      1.00000
     39     -12.5177      1.00000
     40     -12.3927      1.00000
     41     -12.3784      1.00000
     42     -12.0579      1.00000
     43     -12.0330      1.00000
     44     -11.6558      1.00000
     45     -11.6131      1.00000
     46     -11.1780      1.00000
     47     -11.1576      1.00000
     48     -10.9666      1.00000
     49     -10.9431      1.00000
     50     -10.8718      1.00000
     51     -10.8350      1.00000
     52     -10.6028      1.00000
     53     -10.0943      1.00000
     54     -10.0914      1.00000
     55     -10.0475      1.00000
     56      -9.9722      1.00000
     57      -9.6529      1.00000
     58      -9.6331      1.00000
     59      -9.5906      1.00000
     60      -9.5311      1.00000
     61      -9.5047      1.00000
     62      -9.4791      1.00000
     63      -9.2661      1.00000
     64      -9.2461      1.00000
     65      -9.2187      1.00000
     66      -9.1612      1.00000
     67      -9.0696      1.00000
     68      -9.0542      1.00000
     69      -9.0359      1.00000
     70      -8.8827      1.00000
     71      -8.8012      1.00000
     72      -8.5762      1.00000
     73      -8.5234      1.00000
     74      -8.4588      1.00000
     75      -8.0391      1.00000
     76      -7.8129      1.00000
     77      -7.8067      1.00000
     78      -7.7887      1.00000
     79      -7.7041      1.00000
     80      -7.6897      1.00000
     81      -7.3660      1.00000
     82      -7.2769      1.00000
     83      -7.2613      1.00000
     84      -7.2170      1.00000
     85      -7.1730      1.00000
     86      -7.0094      1.00000
     87      -6.9429      1.00000
     88      -6.7466      1.00000
     89      -6.6720      1.00000
     90      -6.5940      1.00000
     91      -6.5597      1.00000
     92      -6.0541      1.00000
     93      -6.0463      1.00000
     94      -6.0214      1.00000
     95      -5.9561      1.00000
     96      -5.7376      1.00000
     97      -5.1579      1.00000
     98      -4.9917      1.00000
     99      -4.7202      1.00000
    100      -4.6109      1.00000
    101      -4.4401      1.00000
    102      -4.3749      1.00000
    103      -4.1231      1.00000
    104      -3.8689      1.00000
    105      -3.8360      1.00000
    106      -3.7893      1.00000
    107      -1.7850      0.00000
    108      -1.7390      0.00000
    109      -1.3957      0.00000
    110      -1.3440      0.00000
    111      -1.2645      0.00000
    112      -1.2263      0.00000
    113      -0.7465      0.00000
    114      -0.3807      0.00000
    115      -0.2161      0.00000
    116      -0.0195      0.00000
    117       0.5908      0.00000
    118       0.7373      0.00000
    119       0.7633      0.00000
    120       1.0493      0.00000
    121       1.1411      0.00000
    122       1.2501      0.00000
    123       1.2718      0.00000
    124       1.4147      0.00000
    125       1.4777      0.00000
    126       1.5850      0.00000
    127       1.7603      0.00000
    128       1.8385      0.00000
    129       1.8973      0.00000
    130       1.9588      0.00000
    131       2.1064      0.00000
    132       2.2375      0.00000
    133       2.2474      0.00000
    134       2.2942      0.00000
    135       2.4850      0.00000
    136       2.6159      0.00000
    137       2.6376      0.00000
    138       2.7660      0.00000
    139       2.8028      0.00000
    140       2.8593      0.00000
    141       2.8724      0.00000
    142       2.8928      0.00000
    143       2.9613      0.00000
    144       3.0829      0.00000
    145       3.2849      0.00000
    146       3.3050      0.00000
    147       3.3765      0.00000
    148       3.4119      0.00000
    149       3.4672      0.00000
    150       3.5940      0.00000
    151       3.6400      0.00000
    152       3.6810      0.00000
    153       3.7122      0.00000
    154       3.9065      0.00000
    155       3.9402      0.00000
    156       3.9832      0.00000
    157       4.0851      0.00000
    158       4.2004      0.00000
    159       4.2538      0.00000
    160       4.2966      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2138      1.00000
      2     -22.0075      1.00000
      3     -21.6485      1.00000
      4     -21.6114      1.00000
      5     -20.9126      1.00000
      6     -20.8661      1.00000
      7     -20.5455      1.00000
      8     -20.5067      1.00000
      9     -20.4953      1.00000
     10     -19.9640      1.00000
     11     -19.4413      1.00000
     12     -19.4137      1.00000
     13     -19.2404      1.00000
     14     -19.2256      1.00000
     15     -18.3850      1.00000
     16     -18.3403      1.00000
     17     -17.8607      1.00000
     18     -17.8368      1.00000
     19     -17.6991      1.00000
     20     -17.6560      1.00000
     21     -17.3737      1.00000
     22     -17.3532      1.00000
     23     -17.2764      1.00000
     24     -16.3991      1.00000
     25     -16.3838      1.00000
     26     -15.8976      1.00000
     27     -15.3495      1.00000
     28     -15.3365      1.00000
     29     -15.0319      1.00000
     30     -15.0201      1.00000
     31     -14.8005      1.00000
     32     -14.7760      1.00000
     33     -14.2241      1.00000
     34     -14.1904      1.00000
     35     -13.3734      1.00000
     36     -13.3376      1.00000
     37     -13.1202      1.00000
     38     -13.1002      1.00000
     39     -12.9169      1.00000
     40     -12.9033      1.00000
     41     -12.5575      1.00000
     42     -12.5367      1.00000
     43     -12.1362      1.00000
     44     -11.5190      1.00000
     45     -11.4701      1.00000
     46     -11.2512      1.00000
     47     -11.2164      1.00000
     48     -11.0828      1.00000
     49     -10.6585      1.00000
     50     -10.5890      1.00000
     51     -10.5223      1.00000
     52     -10.2659      1.00000
     53     -10.2454      1.00000
     54     -10.1222      1.00000
     55     -10.0494      1.00000
     56     -10.0373      1.00000
     57      -9.7693      1.00000
     58      -9.7138      1.00000
     59      -9.6759      1.00000
     60      -9.6348      1.00000
     61      -9.6257      1.00000
     62      -9.5871      1.00000
     63      -9.2995      1.00000
     64      -9.2844      1.00000
     65      -9.2482      1.00000
     66      -9.0886      1.00000
     67      -8.9034      1.00000
     68      -8.8803      1.00000
     69      -8.7245      1.00000
     70      -8.5895      1.00000
     71      -8.5095      1.00000
     72      -8.3317      1.00000
     73      -8.3025      1.00000
     74      -8.2648      1.00000
     75      -8.2334      1.00000
     76      -8.1959      1.00000
     77      -8.1830      1.00000
     78      -8.1668      1.00000
     79      -8.1019      1.00000
     80      -7.6891      1.00000
     81      -7.3596      1.00000
     82      -7.3103      1.00000
     83      -7.2664      1.00000
     84      -7.1904      1.00000
     85      -7.1259      1.00000
     86      -7.0766      1.00000
     87      -6.9057      1.00000
     88      -6.8820      1.00000
     89      -6.5454      1.00000
     90      -6.4964      1.00000
     91      -6.2062      1.00000
     92      -6.0705      1.00000
     93      -5.9434      1.00000
     94      -5.7151      1.00000
     95      -5.6341      1.00000
     96      -5.4532      1.00000
     97      -5.3050      1.00000
     98      -5.2357      1.00000
     99      -5.1539      1.00000
    100      -5.1503      1.00000
    101      -4.5239      1.00000
    102      -4.4720      1.00000
    103      -4.1447      1.00000
    104      -3.8391      1.00000
    105      -3.7571      1.00000
    106      -3.6783      1.00000
    107      -1.8714      0.00000
    108      -1.8244      0.00000
    109      -1.2790      0.00000
    110      -1.0331      0.00000
    111      -1.0130      0.00000
    112      -0.7136      0.00000
    113      -0.6371      0.00000
    114      -0.5885      0.00000
    115      -0.5464      0.00000
    116      -0.2027      0.00000
    117       0.2516      0.00000
    118       0.2782      0.00000
    119       0.7599      0.00000
    120       0.9455      0.00000
    121       1.1343      0.00000
    122       1.2242      0.00000
    123       1.3202      0.00000
    124       1.4148      0.00000
    125       1.6002      0.00000
    126       1.6342      0.00000
    127       1.6984      0.00000
    128       1.8295      0.00000
    129       1.9212      0.00000
    130       2.0090      0.00000
    131       2.1035      0.00000
    132       2.3340      0.00000
    133       2.3936      0.00000
    134       2.4323      0.00000
    135       2.5390      0.00000
    136       2.6348      0.00000
    137       2.7643      0.00000
    138       2.8268      0.00000
    139       2.8344      0.00000
    140       2.8906      0.00000
    141       3.0455      0.00000
    142       3.0870      0.00000
    143       3.1881      0.00000
    144       3.2375      0.00000
    145       3.3802      0.00000
    146       3.4210      0.00000
    147       3.4866      0.00000
    148       3.5861      0.00000
    149       3.6058      0.00000
    150       3.6311      0.00000
    151       3.6506      0.00000
    152       3.7424      0.00000
    153       3.7727      0.00000
    154       3.7879      0.00000
    155       3.8130      0.00000
    156       3.8945      0.00000
    157       3.9745      0.00000
    158       4.0084      0.00000
    159       4.1774      0.00000
    160       4.2371      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2476      1.00000
      2     -21.8932      1.00000
      3     -21.8225      1.00000
      4     -21.3107      1.00000
      5     -21.2802      1.00000
      6     -20.7708      1.00000
      7     -20.7049      1.00000
      8     -20.5570      1.00000
      9     -20.0071      1.00000
     10     -19.9994      1.00000
     11     -19.6481      1.00000
     12     -19.6236      1.00000
     13     -18.9286      1.00000
     14     -18.9198      1.00000
     15     -18.5672      1.00000
     16     -18.5536      1.00000
     17     -18.3963      1.00000
     18     -17.6176      1.00000
     19     -17.5607      1.00000
     20     -17.5560      1.00000
     21     -17.5149      1.00000
     22     -17.0539      1.00000
     23     -17.0366      1.00000
     24     -16.8860      1.00000
     25     -15.9251      1.00000
     26     -15.8648      1.00000
     27     -15.5171      1.00000
     28     -15.5164      1.00000
     29     -15.2287      1.00000
     30     -14.7937      1.00000
     31     -14.7665      1.00000
     32     -14.5185      1.00000
     33     -14.4745      1.00000
     34     -14.0967      1.00000
     35     -14.0855      1.00000
     36     -13.0749      1.00000
     37     -13.0362      1.00000
     38     -12.9708      1.00000
     39     -12.9585      1.00000
     40     -12.6486      1.00000
     41     -12.6418      1.00000
     42     -12.2709      1.00000
     43     -12.2395      1.00000
     44     -11.5831      1.00000
     45     -11.5548      1.00000
     46     -11.5035      1.00000
     47     -10.9018      1.00000
     48     -10.8471      1.00000
     49     -10.6228      1.00000
     50     -10.5617      1.00000
     51     -10.4866      1.00000
     52     -10.4289      1.00000
     53     -10.4195      1.00000
     54     -10.3724      1.00000
     55     -10.3021      1.00000
     56     -10.0653      1.00000
     57      -9.8328      1.00000
     58      -9.5571      1.00000
     59      -9.4975      1.00000
     60      -9.4713      1.00000
     61      -9.3411      1.00000
     62      -9.3311      1.00000
     63      -9.3173      1.00000
     64      -9.3104      1.00000
     65      -9.2134      1.00000
     66      -9.1074      1.00000
     67      -9.0744      1.00000
     68      -9.0461      1.00000
     69      -8.8474      1.00000
     70      -8.7871      1.00000
     71      -8.7694      1.00000
     72      -8.5275      1.00000
     73      -8.4763      1.00000
     74      -8.2232      1.00000
     75      -8.1064      1.00000
     76      -8.0950      1.00000
     77      -7.8086      1.00000
     78      -7.7884      1.00000
     79      -7.7883      1.00000
     80      -7.6729      1.00000
     81      -7.6343      1.00000
     82      -7.6319      1.00000
     83      -7.4012      1.00000
     84      -7.3250      1.00000
     85      -7.2007      1.00000
     86      -6.8375      1.00000
     87      -6.8257      1.00000
     88      -6.6624      1.00000
     89      -6.5381      1.00000
     90      -6.3503      1.00000
     91      -6.3072      1.00000
     92      -6.1816      1.00000
     93      -6.1412      1.00000
     94      -5.9788      1.00000
     95      -5.5741      1.00000
     96      -5.4275      1.00000
     97      -5.2604      1.00000
     98      -5.2515      1.00000
     99      -5.1508      1.00000
    100      -4.6944      1.00000
    101      -4.6655      1.00000
    102      -4.3497      1.00000
    103      -4.3168      1.00000
    104      -3.9658      1.00000
    105      -3.8328      1.00000
    106      -3.3874      1.00000
    107      -2.2207      0.00000
    108      -1.3767      0.00000
    109      -1.2855      0.00000
    110      -1.1740      0.00000
    111      -1.0786      0.00000
    112      -0.8953      0.00000
    113      -0.7686      0.00000
    114      -0.7583      0.00000
    115      -0.2183      0.00000
    116       0.1170      0.00000
    117       0.2674      0.00000
    118       0.3458      0.00000
    119       0.7332      0.00000
    120       0.9025      0.00000
    121       0.9703      0.00000
    122       1.0954      0.00000
    123       1.2076      0.00000
    124       1.5289      0.00000
    125       1.5638      0.00000
    126       1.7175      0.00000
    127       1.8370      0.00000
    128       1.8601      0.00000
    129       1.9666      0.00000
    130       2.0008      0.00000
    131       2.1567      0.00000
    132       2.2644      0.00000
    133       2.4540      0.00000
    134       2.4788      0.00000
    135       2.5081      0.00000
    136       2.6687      0.00000
    137       2.6879      0.00000
    138       2.7309      0.00000
    139       2.7496      0.00000
    140       2.8907      0.00000
    141       3.0216      0.00000
    142       3.0813      0.00000
    143       3.2025      0.00000
    144       3.2631      0.00000
    145       3.2633      0.00000
    146       3.2680      0.00000
    147       3.3706      0.00000
    148       3.4774      0.00000
    149       3.5320      0.00000
    150       3.6954      0.00000
    151       3.7580      0.00000
    152       3.7688      0.00000
    153       3.8330      0.00000
    154       3.8800      0.00000
    155       3.9424      0.00000
    156       3.9901      0.00000
    157       4.0300      0.00000
    158       4.0574      0.00000
    159       4.0630      0.00000
    160       4.1195      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1416      1.00000
      2     -22.0463      1.00000
      3     -21.8860      1.00000
      4     -21.3338      1.00000
      5     -20.9815      1.00000
      6     -20.9429      1.00000
      7     -20.4331      1.00000
      8     -20.3902      1.00000
      9     -20.2269      1.00000
     10     -20.2054      1.00000
     11     -19.8879      1.00000
     12     -19.8202      1.00000
     13     -18.8134      1.00000
     14     -18.7421      1.00000
     15     -18.2911      1.00000
     16     -18.2370      1.00000
     17     -18.0865      1.00000
     18     -18.0642      1.00000
     19     -17.7628      1.00000
     20     -17.7193      1.00000
     21     -17.1910      1.00000
     22     -17.1654      1.00000
     23     -17.1019      1.00000
     24     -17.0617      1.00000
     25     -16.0387      1.00000
     26     -15.8206      1.00000
     27     -15.7994      1.00000
     28     -15.7620      1.00000
     29     -15.1751      1.00000
     30     -14.4887      1.00000
     31     -14.4566      1.00000
     32     -14.2188      1.00000
     33     -13.8989      1.00000
     34     -13.8901      1.00000
     35     -13.7580      1.00000
     36     -13.7347      1.00000
     37     -13.5519      1.00000
     38     -13.5018      1.00000
     39     -13.3001      1.00000
     40     -12.5649      1.00000
     41     -12.1247      1.00000
     42     -12.0647      1.00000
     43     -12.0079      1.00000
     44     -11.9494      1.00000
     45     -11.6142      1.00000
     46     -11.5910      1.00000
     47     -11.0830      1.00000
     48     -11.0501      1.00000
     49     -10.7505      1.00000
     50     -10.6596      1.00000
     51     -10.5268      1.00000
     52     -10.1565      1.00000
     53     -10.1351      1.00000
     54     -10.0960      1.00000
     55      -9.9567      1.00000
     56      -9.9479      1.00000
     57      -9.9161      1.00000
     58      -9.7406      1.00000
     59      -9.7332      1.00000
     60      -9.6979      1.00000
     61      -9.6924      1.00000
     62      -9.4282      1.00000
     63      -9.3592      1.00000
     64      -9.0865      1.00000
     65      -9.0129      1.00000
     66      -8.9719      1.00000
     67      -8.8863      1.00000
     68      -8.8113      1.00000
     69      -8.6598      1.00000
     70      -8.6390      1.00000
     71      -8.5779      1.00000
     72      -8.4744      1.00000
     73      -8.4630      1.00000
     74      -8.4005      1.00000
     75      -8.3923      1.00000
     76      -8.1833      1.00000
     77      -8.1146      1.00000
     78      -7.9775      1.00000
     79      -7.9160      1.00000
     80      -7.8487      1.00000
     81      -7.6175      1.00000
     82      -7.5291      1.00000
     83      -7.4667      1.00000
     84      -7.2573      1.00000
     85      -6.9377      1.00000
     86      -6.8610      1.00000
     87      -6.8137      1.00000
     88      -6.5745      1.00000
     89      -6.4646      1.00000
     90      -6.4168      1.00000
     91      -6.3557      1.00000
     92      -6.0531      1.00000
     93      -5.8787      1.00000
     94      -5.7524      1.00000
     95      -5.7230      1.00000
     96      -5.4775      1.00000
     97      -5.3472      1.00000
     98      -5.1809      1.00000
     99      -5.1577      1.00000
    100      -5.1535      1.00000
    101      -4.7072      1.00000
    102      -4.4423      1.00000
    103      -4.2566      1.00000
    104      -3.9976      1.00000
    105      -3.8316      1.00000
    106      -3.1550      1.00000
    107      -2.4635      0.00000
    108      -1.3807      0.00000
    109      -1.2397      0.00000
    110      -1.1471      0.00000
    111      -1.1133      0.00000
    112      -0.5646      0.00000
    113      -0.4346      0.00000
    114      -0.4300      0.00000
    115      -0.3075      0.00000
    116      -0.1906      0.00000
    117       0.0607      0.00000
    118       0.1161      0.00000
    119       0.5416      0.00000
    120       0.6837      0.00000
    121       0.8715      0.00000
    122       0.9672      0.00000
    123       1.1101      0.00000
    124       1.4971      0.00000
    125       1.6651      0.00000
    126       1.7971      0.00000
    127       1.8781      0.00000
    128       2.0919      0.00000
    129       2.1331      0.00000
    130       2.2007      0.00000
    131       2.2184      0.00000
    132       2.3403      0.00000
    133       2.3663      0.00000
    134       2.4882      0.00000
    135       2.5842      0.00000
    136       2.6682      0.00000
    137       2.8770      0.00000
    138       2.9358      0.00000
    139       2.9669      0.00000
    140       2.9945      0.00000
    141       3.0515      0.00000
    142       3.1498      0.00000
    143       3.1888      0.00000
    144       3.2575      0.00000
    145       3.2904      0.00000
    146       3.3303      0.00000
    147       3.3520      0.00000
    148       3.3792      0.00000
    149       3.3988      0.00000
    150       3.4949      0.00000
    151       3.5532      0.00000
    152       3.6339      0.00000
    153       3.6981      0.00000
    154       3.7081      0.00000
    155       3.7286      0.00000
    156       3.9196      0.00000
    157       3.9460      0.00000
    158       4.0596      0.00000
    159       4.0896      0.00000
    160       4.2007      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2473      1.00000
      2     -21.8947      1.00000
      3     -21.8210      1.00000
      4     -21.3161      1.00000
      5     -21.2772      1.00000
      6     -20.7707      1.00000
      7     -20.7016      1.00000
      8     -20.5534      1.00000
      9     -20.0232      1.00000
     10     -19.9905      1.00000
     11     -19.6498      1.00000
     12     -19.6182      1.00000
     13     -18.9437      1.00000
     14     -18.9081      1.00000
     15     -18.5852      1.00000
     16     -18.5474      1.00000
     17     -18.3902      1.00000
     18     -17.6017      1.00000
     19     -17.5671      1.00000
     20     -17.5399      1.00000
     21     -17.5063      1.00000
     22     -17.0756      1.00000
     23     -17.0271      1.00000
     24     -16.9022      1.00000
     25     -15.9473      1.00000
     26     -15.8518      1.00000
     27     -15.5319      1.00000
     28     -15.5059      1.00000
     29     -15.2085      1.00000
     30     -14.8138      1.00000
     31     -14.7611      1.00000
     32     -14.5074      1.00000
     33     -14.4657      1.00000
     34     -14.0994      1.00000
     35     -14.0940      1.00000
     36     -13.1048      1.00000
     37     -13.0277      1.00000
     38     -12.9534      1.00000
     39     -12.9480      1.00000
     40     -12.6541      1.00000
     41     -12.6250      1.00000
     42     -12.2747      1.00000
     43     -12.2486      1.00000
     44     -11.5764      1.00000
     45     -11.5552      1.00000
     46     -11.5012      1.00000
     47     -10.8776      1.00000
     48     -10.8729      1.00000
     49     -10.6829      1.00000
     50     -10.5242      1.00000
     51     -10.5187      1.00000
     52     -10.4389      1.00000
     53     -10.4142      1.00000
     54     -10.3690      1.00000
     55     -10.2833      1.00000
     56     -10.0608      1.00000
     57      -9.8315      1.00000
     58      -9.5554      1.00000
     59      -9.4797      1.00000
     60      -9.4436      1.00000
     61      -9.3649      1.00000
     62      -9.3339      1.00000
     63      -9.3033      1.00000
     64      -9.2996      1.00000
     65      -9.2064      1.00000
     66      -9.1020      1.00000
     67      -9.0710      1.00000
     68      -9.0504      1.00000
     69      -8.8510      1.00000
     70      -8.8059      1.00000
     71      -8.7743      1.00000
     72      -8.5260      1.00000
     73      -8.4973      1.00000
     74      -8.2274      1.00000
     75      -8.1355      1.00000
     76      -8.0905      1.00000
     77      -7.8046      1.00000
     78      -7.7643      1.00000
     79      -7.7383      1.00000
     80      -7.7039      1.00000
     81      -7.6325      1.00000
     82      -7.6245      1.00000
     83      -7.3884      1.00000
     84      -7.3430      1.00000
     85      -7.2205      1.00000
     86      -6.8436      1.00000
     87      -6.8230      1.00000
     88      -6.6397      1.00000
     89      -6.5303      1.00000
     90      -6.3377      1.00000
     91      -6.2744      1.00000
     92      -6.1963      1.00000
     93      -6.1348      1.00000
     94      -6.0209      1.00000
     95      -5.6371      1.00000
     96      -5.5095      1.00000
     97      -5.2965      1.00000
     98      -5.1550      1.00000
     99      -5.0416      1.00000
    100      -4.7264      1.00000
    101      -4.6869      1.00000
    102      -4.3695      1.00000
    103      -4.1859      1.00000
    104      -4.0108      1.00000
    105      -3.8311      1.00000
    106      -3.4848      1.00000
    107      -2.1638      0.00000
    108      -1.3850      0.00000
    109      -1.2351      0.00000
    110      -1.1843      0.00000
    111      -1.0156      0.00000
    112      -0.9529      0.00000
    113      -0.7968      0.00000
    114      -0.7512      0.00000
    115      -0.3662      0.00000
    116       0.2436      0.00000
    117       0.2752      0.00000
    118       0.3641      0.00000
    119       0.6999      0.00000
    120       0.8703      0.00000
    121       0.9652      0.00000
    122       1.1275      0.00000
    123       1.2336      0.00000
    124       1.4577      0.00000
    125       1.5546      0.00000
    126       1.7821      0.00000
    127       1.8530      0.00000
    128       1.8852      0.00000
    129       1.9839      0.00000
    130       2.0301      0.00000
    131       2.1983      0.00000
    132       2.2128      0.00000
    133       2.4032      0.00000
    134       2.4492      0.00000
    135       2.5645      0.00000
    136       2.6569      0.00000
    137       2.6840      0.00000
    138       2.7270      0.00000
    139       2.7712      0.00000
    140       2.8595      0.00000
    141       2.9672      0.00000
    142       3.0840      0.00000
    143       3.1932      0.00000
    144       3.2435      0.00000
    145       3.2592      0.00000
    146       3.2983      0.00000
    147       3.3371      0.00000
    148       3.4835      0.00000
    149       3.5055      0.00000
    150       3.7056      0.00000
    151       3.7215      0.00000
    152       3.7709      0.00000
    153       3.8597      0.00000
    154       3.8776      0.00000
    155       3.9026      0.00000
    156       3.9990      0.00000
    157       4.0031      0.00000
    158       4.0570      0.00000
    159       4.0772      0.00000
    160       4.1313      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3192      1.00000
      2     -21.7608      1.00000
      3     -21.5676      1.00000
      4     -21.5407      1.00000
      5     -21.2047      1.00000
      6     -21.1659      1.00000
      7     -20.9843      1.00000
      8     -20.0976      1.00000
      9     -20.0588      1.00000
     10     -19.5481      1.00000
     11     -19.5277      1.00000
     12     -19.3422      1.00000
     13     -19.0276      1.00000
     14     -18.9888      1.00000
     15     -18.9775      1.00000
     16     -18.9706      1.00000
     17     -18.2969      1.00000
     18     -18.2832      1.00000
     19     -17.9423      1.00000
     20     -16.9975      1.00000
     21     -16.9562      1.00000
     22     -16.8826      1.00000
     23     -16.8699      1.00000
     24     -16.4197      1.00000
     25     -16.3969      1.00000
     26     -15.5431      1.00000
     27     -15.5398      1.00000
     28     -15.1710      1.00000
     29     -15.1697      1.00000
     30     -15.1269      1.00000
     31     -15.0332      1.00000
     32     -14.9980      1.00000
     33     -14.6360      1.00000
     34     -14.6290      1.00000
     35     -13.6646      1.00000
     36     -13.6547      1.00000
     37     -13.1652      1.00000
     38     -12.5710      1.00000
     39     -12.5108      1.00000
     40     -12.3826      1.00000
     41     -12.3823      1.00000
     42     -12.0356      1.00000
     43     -12.0315      1.00000
     44     -11.6618      1.00000
     45     -11.6213      1.00000
     46     -11.2084      1.00000
     47     -11.1590      1.00000
     48     -10.9515      1.00000
     49     -10.9377      1.00000
     50     -10.8641      1.00000
     51     -10.8316      1.00000
     52     -10.6258      1.00000
     53     -10.1452      1.00000
     54     -10.0818      1.00000
     55     -10.0199      1.00000
     56      -9.9439      1.00000
     57      -9.6300      1.00000
     58      -9.6274      1.00000
     59      -9.6021      1.00000
     60      -9.5435      1.00000
     61      -9.5066      1.00000
     62      -9.4801      1.00000
     63      -9.2712      1.00000
     64      -9.2300      1.00000
     65      -9.2037      1.00000
     66      -9.1891      1.00000
     67      -9.0622      1.00000
     68      -9.0424      1.00000
     69      -9.0389      1.00000
     70      -8.8759      1.00000
     71      -8.8183      1.00000
     72      -8.5387      1.00000
     73      -8.5367      1.00000
     74      -8.5040      1.00000
     75      -8.0234      1.00000
     76      -7.8378      1.00000
     77      -7.8000      1.00000
     78      -7.7761      1.00000
     79      -7.6985      1.00000
     80      -7.6801      1.00000
     81      -7.4151      1.00000
     82      -7.2842      1.00000
     83      -7.2469      1.00000
     84      -7.2040      1.00000
     85      -7.0807      1.00000
     86      -7.0763      1.00000
     87      -6.9462      1.00000
     88      -6.7111      1.00000
     89      -6.6753      1.00000
     90      -6.6300      1.00000
     91      -6.5561      1.00000
     92      -6.0683      1.00000
     93      -6.0280      1.00000
     94      -6.0061      1.00000
     95      -5.9410      1.00000
     96      -5.7991      1.00000
     97      -5.1829      1.00000
     98      -4.8964      1.00000
     99      -4.7946      1.00000
    100      -4.6092      1.00000
    101      -4.5132      1.00000
    102      -4.1421      1.00000
    103      -4.0914      1.00000
    104      -3.9321      1.00000
    105      -3.9181      1.00000
    106      -3.8301      1.00000
    107      -1.7517      0.00000
    108      -1.6955      0.00000
    109      -1.4118      0.00000
    110      -1.3703      0.00000
    111      -1.2651      0.00000
    112      -1.2340      0.00000
    113      -0.6247      0.00000
    114      -0.5942      0.00000
    115      -0.1925      0.00000
    116       0.0411      0.00000
    117       0.5832      0.00000
    118       0.7385      0.00000
    119       0.8480      0.00000
    120       0.9294      0.00000
    121       1.1687      0.00000
    122       1.2122      0.00000
    123       1.2495      0.00000
    124       1.4171      0.00000
    125       1.6012      0.00000
    126       1.6385      0.00000
    127       1.7031      0.00000
    128       1.8094      0.00000
    129       1.9224      0.00000
    130       1.9388      0.00000
    131       2.1484      0.00000
    132       2.1710      0.00000
    133       2.2592      0.00000
    134       2.2960      0.00000
    135       2.5488      0.00000
    136       2.5597      0.00000
    137       2.6397      0.00000
    138       2.7609      0.00000
    139       2.8119      0.00000
    140       2.8530      0.00000
    141       2.8939      0.00000
    142       2.9481      0.00000
    143       3.0180      0.00000
    144       3.0243      0.00000
    145       3.0818      0.00000
    146       3.3141      0.00000
    147       3.3784      0.00000
    148       3.4218      0.00000
    149       3.4843      0.00000
    150       3.5979      0.00000
    151       3.6594      0.00000
    152       3.6695      0.00000
    153       3.6846      0.00000
    154       3.9034      0.00000
    155       3.9734      0.00000
    156       4.0258      0.00000
    157       4.0729      0.00000
    158       4.2491      0.00000
    159       4.2573      0.00000
    160       4.2689      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1405      1.00000
      2     -22.0475      1.00000
      3     -21.8859      1.00000
      4     -21.3358      1.00000
      5     -20.9760      1.00000
      6     -20.9464      1.00000
      7     -20.4278      1.00000
      8     -20.3956      1.00000
      9     -20.2142      1.00000
     10     -20.2121      1.00000
     11     -19.8890      1.00000
     12     -19.8252      1.00000
     13     -18.8198      1.00000
     14     -18.7490      1.00000
     15     -18.2630      1.00000
     16     -18.2491      1.00000
     17     -18.0801      1.00000
     18     -18.0734      1.00000
     19     -17.7435      1.00000
     20     -17.7280      1.00000
     21     -17.1967      1.00000
     22     -17.1728      1.00000
     23     -17.0833      1.00000
     24     -17.0716      1.00000
     25     -16.0515      1.00000
     26     -15.8103      1.00000
     27     -15.8007      1.00000
     28     -15.7817      1.00000
     29     -15.1556      1.00000
     30     -14.4893      1.00000
     31     -14.4678      1.00000
     32     -14.2017      1.00000
     33     -13.9126      1.00000
     34     -13.8823      1.00000
     35     -13.7575      1.00000
     36     -13.7373      1.00000
     37     -13.5367      1.00000
     38     -13.5108      1.00000
     39     -13.3000      1.00000
     40     -12.5747      1.00000
     41     -12.1029      1.00000
     42     -12.0789      1.00000
     43     -12.0017      1.00000
     44     -11.9543      1.00000
     45     -11.5995      1.00000
     46     -11.5914      1.00000
     47     -11.0887      1.00000
     48     -11.0651      1.00000
     49     -10.7394      1.00000
     50     -10.6722      1.00000
     51     -10.5614      1.00000
     52     -10.1348      1.00000
     53     -10.1302      1.00000
     54     -10.1001      1.00000
     55      -9.9642      1.00000
     56      -9.9217      1.00000
     57      -9.9198      1.00000
     58      -9.7488      1.00000
     59      -9.7239      1.00000
     60      -9.6963      1.00000
     61      -9.6960      1.00000
     62      -9.4022      1.00000
     63      -9.3986      1.00000
     64      -9.0686      1.00000
     65      -8.9799      1.00000
     66      -8.9777      1.00000
     67      -8.9092      1.00000
     68      -8.8119      1.00000
     69      -8.6460      1.00000
     70      -8.6287      1.00000
     71      -8.5478      1.00000
     72      -8.5101      1.00000
     73      -8.4909      1.00000
     74      -8.3935      1.00000
     75      -8.3818      1.00000
     76      -8.2098      1.00000
     77      -8.1021      1.00000
     78      -8.0058      1.00000
     79      -7.9002      1.00000
     80      -7.8403      1.00000
     81      -7.6225      1.00000
     82      -7.5341      1.00000
     83      -7.4624      1.00000
     84      -7.2543      1.00000
     85      -6.9372      1.00000
     86      -6.8632      1.00000
     87      -6.8039      1.00000
     88      -6.4801      1.00000
     89      -6.4744      1.00000
     90      -6.4154      1.00000
     91      -6.3617      1.00000
     92      -6.1922      1.00000
     93      -5.8572      1.00000
     94      -5.7370      1.00000
     95      -5.7110      1.00000
     96      -5.5235      1.00000
     97      -5.3296      1.00000
     98      -5.1700      1.00000
     99      -5.1671      1.00000
    100      -5.1346      1.00000
    101      -4.6980      1.00000
    102      -4.3500      1.00000
    103      -4.2818      1.00000
    104      -4.0315      1.00000
    105      -3.8326      1.00000
    106      -3.2348      1.00000
    107      -2.4035      0.00000
    108      -1.3473      0.00000
    109      -1.2401      0.00000
    110      -1.1531      0.00000
    111      -1.1097      0.00000
    112      -0.5842      0.00000
    113      -0.5213      0.00000
    114      -0.4334      0.00000
    115      -0.2771      0.00000
    116      -0.0697      0.00000
    117      -0.0100      0.00000
    118       0.0624      0.00000
    119       0.5820      0.00000
    120       0.7094      0.00000
    121       0.8107      0.00000
    122       0.9426      0.00000
    123       1.1812      0.00000
    124       1.5114      0.00000
    125       1.6207      0.00000
    126       1.8529      0.00000
    127       2.0054      0.00000
    128       2.0502      0.00000
    129       2.1151      0.00000
    130       2.1630      0.00000
    131       2.2554      0.00000
    132       2.2844      0.00000
    133       2.3455      0.00000
    134       2.4678      0.00000
    135       2.6134      0.00000
    136       2.7008      0.00000
    137       2.8213      0.00000
    138       2.9191      0.00000
    139       2.9453      0.00000
    140       3.0364      0.00000
    141       3.0491      0.00000
    142       3.1552      0.00000
    143       3.1659      0.00000
    144       3.2240      0.00000
    145       3.2968      0.00000
    146       3.3113      0.00000
    147       3.3527      0.00000
    148       3.3716      0.00000
    149       3.4169      0.00000
    150       3.4484      0.00000
    151       3.5474      0.00000
    152       3.6131      0.00000
    153       3.7045      0.00000
    154       3.7376      0.00000
    155       3.8464      0.00000
    156       3.9056      0.00000
    157       3.9299      0.00000
    158       3.9578      0.00000
    159       4.1431      0.00000
    160       4.1776      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2132      1.00000
      2     -22.0078      1.00000
      3     -21.6464      1.00000
      4     -21.6153      1.00000
      5     -20.9095      1.00000
      6     -20.8689      1.00000
      7     -20.5385      1.00000
      8     -20.5051      1.00000
      9     -20.4993      1.00000
     10     -19.9604      1.00000
     11     -19.4429      1.00000
     12     -19.4206      1.00000
     13     -19.2418      1.00000
     14     -19.2344      1.00000
     15     -18.3739      1.00000
     16     -18.3389      1.00000
     17     -17.8597      1.00000
     18     -17.8434      1.00000
     19     -17.6886      1.00000
     20     -17.6527      1.00000
     21     -17.3729      1.00000
     22     -17.3585      1.00000
     23     -17.2623      1.00000
     24     -16.4177      1.00000
     25     -16.3942      1.00000
     26     -15.9017      1.00000
     27     -15.3465      1.00000
     28     -15.3416      1.00000
     29     -15.0341      1.00000
     30     -15.0243      1.00000
     31     -14.7735      1.00000
     32     -14.7716      1.00000
     33     -14.2345      1.00000
     34     -14.1836      1.00000
     35     -13.3847      1.00000
     36     -13.3301      1.00000
     37     -13.1126      1.00000
     38     -13.1045      1.00000
     39     -12.9160      1.00000
     40     -12.9101      1.00000
     41     -12.5463      1.00000
     42     -12.5386      1.00000
     43     -12.1273      1.00000
     44     -11.5203      1.00000
     45     -11.4757      1.00000
     46     -11.2504      1.00000
     47     -11.2186      1.00000
     48     -11.0801      1.00000
     49     -10.7090      1.00000
     50     -10.5988      1.00000
     51     -10.5111      1.00000
     52     -10.2466      1.00000
     53     -10.2428      1.00000
     54     -10.1223      1.00000
     55     -10.0580      1.00000
     56     -10.0417      1.00000
     57      -9.7847      1.00000
     58      -9.6832      1.00000
     59      -9.6705      1.00000
     60      -9.6334      1.00000
     61      -9.6236      1.00000
     62      -9.5858      1.00000
     63      -9.2922      1.00000
     64      -9.2798      1.00000
     65      -9.2630      1.00000
     66      -9.0660      1.00000
     67      -8.8912      1.00000
     68      -8.8802      1.00000
     69      -8.7185      1.00000
     70      -8.5822      1.00000
     71      -8.5355      1.00000
     72      -8.3503      1.00000
     73      -8.3055      1.00000
     74      -8.2436      1.00000
     75      -8.2354      1.00000
     76      -8.1975      1.00000
     77      -8.1841      1.00000
     78      -8.1747      1.00000
     79      -8.1082      1.00000
     80      -7.6885      1.00000
     81      -7.4194      1.00000
     82      -7.3397      1.00000
     83      -7.2538      1.00000
     84      -7.1618      1.00000
     85      -7.1110      1.00000
     86      -7.0055      1.00000
     87      -6.9054      1.00000
     88      -6.8487      1.00000
     89      -6.5502      1.00000
     90      -6.4908      1.00000
     91      -6.2141      1.00000
     92      -6.2098      1.00000
     93      -5.8932      1.00000
     94      -5.6748      1.00000
     95      -5.6079      1.00000
     96      -5.5811      1.00000
     97      -5.2517      1.00000
     98      -5.2303      1.00000
     99      -5.1642      1.00000
    100      -5.1345      1.00000
    101      -4.6015      1.00000
    102      -4.2515      1.00000
    103      -4.0481      1.00000
    104      -3.8866      1.00000
    105      -3.8448      1.00000
    106      -3.8024      1.00000
    107      -1.8068      0.00000
    108      -1.7794      0.00000
    109      -1.2274      0.00000
    110      -1.1720      0.00000
    111      -0.9755      0.00000
    112      -0.7363      0.00000
    113      -0.6495      0.00000
    114      -0.5951      0.00000
    115      -0.5479      0.00000
    116      -0.1526      0.00000
    117       0.1774      0.00000
    118       0.2896      0.00000
    119       0.7055      0.00000
    120       0.9484      0.00000
    121       1.1670      0.00000
    122       1.2763      0.00000
    123       1.3438      0.00000
    124       1.5129      0.00000
    125       1.6061      0.00000
    126       1.6267      0.00000
    127       1.6905      0.00000
    128       1.7775      0.00000
    129       1.8565      0.00000
    130       2.0815      0.00000
    131       2.1695      0.00000
    132       2.3179      0.00000
    133       2.3930      0.00000
    134       2.4257      0.00000
    135       2.5599      0.00000
    136       2.6230      0.00000
    137       2.6860      0.00000
    138       2.7541      0.00000
    139       2.8218      0.00000
    140       2.9133      0.00000
    141       3.0603      0.00000
    142       3.0658      0.00000
    143       3.1815      0.00000
    144       3.2796      0.00000
    145       3.3757      0.00000
    146       3.4126      0.00000
    147       3.4629      0.00000
    148       3.5535      0.00000
    149       3.5709      0.00000
    150       3.6277      0.00000
    151       3.6607      0.00000
    152       3.7005      0.00000
    153       3.7877      0.00000
    154       3.8059      0.00000
    155       3.8227      0.00000
    156       3.8947      0.00000
    157       3.8998      0.00000
    158       3.9787      0.00000
    159       4.1939      0.00000
    160       4.2353      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3559      1.00000
      2     -21.5363      1.00000
      3     -21.4061      1.00000
      4     -21.4060      1.00000
      5     -21.3748      1.00000
      6     -21.3648      1.00000
      7     -21.3578      1.00000
      8     -19.6463      1.00000
      9     -19.5704      1.00000
     10     -19.5663      1.00000
     11     -19.5571      1.00000
     12     -19.5393      1.00000
     13     -19.5378      1.00000
     14     -18.7286      1.00000
     15     -18.6767      1.00000
     16     -18.6732      1.00000
     17     -18.6595      1.00000
     18     -18.6437      1.00000
     19     -18.6391      1.00000
     20     -16.5884      1.00000
     21     -16.5235      1.00000
     22     -16.5228      1.00000
     23     -16.5133      1.00000
     24     -16.4856      1.00000
     25     -16.4844      1.00000
     26     -15.5570      1.00000
     27     -15.5269      1.00000
     28     -15.5258      1.00000
     29     -15.5001      1.00000
     30     -15.4926      1.00000
     31     -15.4890      1.00000
     32     -14.2053      1.00000
     33     -14.1805      1.00000
     34     -14.1696      1.00000
     35     -14.1672      1.00000
     36     -14.1564      1.00000
     37     -14.1469      1.00000
     38     -11.8840      1.00000
     39     -11.8078      1.00000
     40     -11.7931      1.00000
     41     -11.7917      1.00000
     42     -11.7883      1.00000
     43     -11.7828      1.00000
     44     -11.7075      1.00000
     45     -11.6954      1.00000
     46     -11.6691      1.00000
     47     -11.6640      1.00000
     48     -11.6566      1.00000
     49     -11.6468      1.00000
     50     -10.6750      1.00000
     51     -10.3278      1.00000
     52     -10.3217      1.00000
     53     -10.3063      1.00000
     54     -10.3018      1.00000
     55     -10.2918      1.00000
     56     -10.2777      1.00000
     57      -9.9286      1.00000
     58      -9.3724      1.00000
     59      -9.3597      1.00000
     60      -9.3002      1.00000
     61      -9.2912      1.00000
     62      -9.2846      1.00000
     63      -9.0886      1.00000
     64      -9.0636      1.00000
     65      -9.0461      1.00000
     66      -9.0298      1.00000
     67      -9.0034      1.00000
     68      -9.0011      1.00000
     69      -8.9983      1.00000
     70      -8.9958      1.00000
     71      -8.9925      1.00000
     72      -8.9681      1.00000
     73      -8.9680      1.00000
     74      -8.9525      1.00000
     75      -8.5008      1.00000
     76      -7.5186      1.00000
     77      -7.4148      1.00000
     78      -7.4067      1.00000
     79      -7.4004      1.00000
     80      -7.3813      1.00000
     81      -7.3593      1.00000
     82      -7.3405      1.00000
     83      -7.3124      1.00000
     84      -7.2693      1.00000
     85      -7.2054      1.00000
     86      -7.1799      1.00000
     87      -7.1796      1.00000
     88      -7.0757      1.00000
     89      -6.5082      1.00000
     90      -6.4623      1.00000
     91      -6.3562      1.00000
     92      -6.2941      1.00000
     93      -6.2867      1.00000
     94      -6.2854      1.00000
     95      -5.8926      1.00000
     96      -5.8892      1.00000
     97      -5.0509      1.00000
     98      -4.9394      1.00000
     99      -4.5404      1.00000
    100      -4.3418      1.00000
    101      -4.3176      1.00000
    102      -4.3167      1.00000
    103      -4.1162      1.00000
    104      -3.9140      1.00000
    105      -3.9001      1.00000
    106      -3.8364      1.00000
    107      -1.6828      0.00000
    108      -1.6671      0.00000
    109      -1.5373      0.00000
    110      -1.5333      0.00000
    111      -1.5228      0.00000
    112      -1.5093      0.00000
    113      -0.5859      0.00000
    114       0.1370      0.00000
    115       0.2039      0.00000
    116       0.3244      0.00000
    117       0.3289      0.00000
    118       0.3325      0.00000
    119       0.4944      0.00000
    120       0.5947      0.00000
    121       1.2603      0.00000
    122       1.2751      0.00000
    123       1.5266      0.00000
    124       1.7962      0.00000
    125       1.8044      0.00000
    126       1.8066      0.00000
    127       1.8096      0.00000
    128       1.9459      0.00000
    129       1.9768      0.00000
    130       2.0313      0.00000
    131       2.0451      0.00000
    132       2.0509      0.00000
    133       2.0548      0.00000
    134       2.0606      0.00000
    135       2.3085      0.00000
    136       2.3232      0.00000
    137       2.6084      0.00000
    138       2.6227      0.00000
    139       2.6436      0.00000
    140       2.7311      0.00000
    141       2.8554      0.00000
    142       3.0266      0.00000
    143       3.0675      0.00000
    144       3.0736      0.00000
    145       3.0944      0.00000
    146       3.1142      0.00000
    147       3.1152      0.00000
    148       3.2322      0.00000
    149       3.4483      0.00000
    150       3.5515      0.00000
    151       3.7863      0.00000
    152       3.9476      0.00000
    153       3.9478      0.00000
    154       3.9724      0.00000
    155       3.9783      0.00000
    156       4.0020      0.00000
    157       4.1764      0.00000
    158       4.2731      0.00000
    159       4.2854      0.00000
    160       4.2859      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3193      1.00000
      2     -21.7610      1.00000
      3     -21.5699      1.00000
      4     -21.5370      1.00000
      5     -21.2072      1.00000
      6     -21.1622      1.00000
      7     -20.9871      1.00000
      8     -20.1017      1.00000
      9     -20.0573      1.00000
     10     -19.5449      1.00000
     11     -19.5200      1.00000
     12     -19.3498      1.00000
     13     -19.0251      1.00000
     14     -18.9878      1.00000
     15     -18.9814      1.00000
     16     -18.9686      1.00000
     17     -18.2973      1.00000
     18     -18.2762      1.00000
     19     -17.9534      1.00000
     20     -17.0114      1.00000
     21     -16.9605      1.00000
     22     -16.8816      1.00000
     23     -16.8643      1.00000
     24     -16.4041      1.00000
     25     -16.3863      1.00000
     26     -15.5492      1.00000
     27     -15.5352      1.00000
     28     -15.1973      1.00000
     29     -15.1701      1.00000
     30     -15.1164      1.00000
     31     -15.0293      1.00000
     32     -15.0031      1.00000
     33     -14.6347      1.00000
     34     -14.6223      1.00000
     35     -13.6669      1.00000
     36     -13.6498      1.00000
     37     -13.1722      1.00000
     38     -12.5529      1.00000
     39     -12.5177      1.00000
     40     -12.3927      1.00000
     41     -12.3784      1.00000
     42     -12.0579      1.00000
     43     -12.0330      1.00000
     44     -11.6558      1.00000
     45     -11.6131      1.00000
     46     -11.1780      1.00000
     47     -11.1576      1.00000
     48     -10.9666      1.00000
     49     -10.9431      1.00000
     50     -10.8718      1.00000
     51     -10.8350      1.00000
     52     -10.6028      1.00000
     53     -10.0943      1.00000
     54     -10.0914      1.00000
     55     -10.0475      1.00000
     56      -9.9722      1.00000
     57      -9.6529      1.00000
     58      -9.6331      1.00000
     59      -9.5906      1.00000
     60      -9.5311      1.00000
     61      -9.5047      1.00000
     62      -9.4791      1.00000
     63      -9.2661      1.00000
     64      -9.2461      1.00000
     65      -9.2187      1.00000
     66      -9.1612      1.00000
     67      -9.0696      1.00000
     68      -9.0542      1.00000
     69      -9.0359      1.00000
     70      -8.8827      1.00000
     71      -8.8012      1.00000
     72      -8.5762      1.00000
     73      -8.5234      1.00000
     74      -8.4588      1.00000
     75      -8.0391      1.00000
     76      -7.8129      1.00000
     77      -7.8067      1.00000
     78      -7.7887      1.00000
     79      -7.7041      1.00000
     80      -7.6897      1.00000
     81      -7.3660      1.00000
     82      -7.2769      1.00000
     83      -7.2613      1.00000
     84      -7.2170      1.00000
     85      -7.1730      1.00000
     86      -7.0094      1.00000
     87      -6.9429      1.00000
     88      -6.7466      1.00000
     89      -6.6720      1.00000
     90      -6.5940      1.00000
     91      -6.5597      1.00000
     92      -6.0541      1.00000
     93      -6.0463      1.00000
     94      -6.0214      1.00000
     95      -5.9561      1.00000
     96      -5.7376      1.00000
     97      -5.1579      1.00000
     98      -4.9917      1.00000
     99      -4.7202      1.00000
    100      -4.6109      1.00000
    101      -4.4401      1.00000
    102      -4.3749      1.00000
    103      -4.1231      1.00000
    104      -3.8689      1.00000
    105      -3.8360      1.00000
    106      -3.7893      1.00000
    107      -1.7850      0.00000
    108      -1.7390      0.00000
    109      -1.3957      0.00000
    110      -1.3440      0.00000
    111      -1.2645      0.00000
    112      -1.2263      0.00000
    113      -0.7465      0.00000
    114      -0.3807      0.00000
    115      -0.2161      0.00000
    116      -0.0195      0.00000
    117       0.5908      0.00000
    118       0.7373      0.00000
    119       0.7633      0.00000
    120       1.0493      0.00000
    121       1.1411      0.00000
    122       1.2501      0.00000
    123       1.2718      0.00000
    124       1.4147      0.00000
    125       1.4777      0.00000
    126       1.5850      0.00000
    127       1.7603      0.00000
    128       1.8385      0.00000
    129       1.8973      0.00000
    130       1.9588      0.00000
    131       2.1064      0.00000
    132       2.2375      0.00000
    133       2.2474      0.00000
    134       2.2942      0.00000
    135       2.4850      0.00000
    136       2.6159      0.00000
    137       2.6376      0.00000
    138       2.7660      0.00000
    139       2.8028      0.00000
    140       2.8593      0.00000
    141       2.8724      0.00000
    142       2.8928      0.00000
    143       2.9613      0.00000
    144       3.0829      0.00000
    145       3.2849      0.00000
    146       3.3050      0.00000
    147       3.3764      0.00000
    148       3.4119      0.00000
    149       3.4672      0.00000
    150       3.5940      0.00000
    151       3.6400      0.00000
    152       3.6810      0.00000
    153       3.7122      0.00000
    154       3.9065      0.00000
    155       3.9402      0.00000
    156       3.9832      0.00000
    157       4.0851      0.00000
    158       4.2004      0.00000
    159       4.2538      0.00000
    160       4.2966      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2138      1.00000
      2     -22.0075      1.00000
      3     -21.6485      1.00000
      4     -21.6114      1.00000
      5     -20.9126      1.00000
      6     -20.8661      1.00000
      7     -20.5455      1.00000
      8     -20.5067      1.00000
      9     -20.4953      1.00000
     10     -19.9640      1.00000
     11     -19.4413      1.00000
     12     -19.4137      1.00000
     13     -19.2404      1.00000
     14     -19.2256      1.00000
     15     -18.3850      1.00000
     16     -18.3403      1.00000
     17     -17.8607      1.00000
     18     -17.8368      1.00000
     19     -17.6991      1.00000
     20     -17.6560      1.00000
     21     -17.3737      1.00000
     22     -17.3532      1.00000
     23     -17.2764      1.00000
     24     -16.3991      1.00000
     25     -16.3838      1.00000
     26     -15.8976      1.00000
     27     -15.3495      1.00000
     28     -15.3365      1.00000
     29     -15.0319      1.00000
     30     -15.0201      1.00000
     31     -14.8005      1.00000
     32     -14.7760      1.00000
     33     -14.2241      1.00000
     34     -14.1904      1.00000
     35     -13.3734      1.00000
     36     -13.3376      1.00000
     37     -13.1202      1.00000
     38     -13.1002      1.00000
     39     -12.9169      1.00000
     40     -12.9033      1.00000
     41     -12.5575      1.00000
     42     -12.5367      1.00000
     43     -12.1362      1.00000
     44     -11.5190      1.00000
     45     -11.4701      1.00000
     46     -11.2512      1.00000
     47     -11.2164      1.00000
     48     -11.0828      1.00000
     49     -10.6585      1.00000
     50     -10.5890      1.00000
     51     -10.5223      1.00000
     52     -10.2659      1.00000
     53     -10.2454      1.00000
     54     -10.1222      1.00000
     55     -10.0494      1.00000
     56     -10.0373      1.00000
     57      -9.7693      1.00000
     58      -9.7138      1.00000
     59      -9.6759      1.00000
     60      -9.6348      1.00000
     61      -9.6257      1.00000
     62      -9.5871      1.00000
     63      -9.2995      1.00000
     64      -9.2844      1.00000
     65      -9.2482      1.00000
     66      -9.0886      1.00000
     67      -8.9034      1.00000
     68      -8.8803      1.00000
     69      -8.7245      1.00000
     70      -8.5895      1.00000
     71      -8.5095      1.00000
     72      -8.3317      1.00000
     73      -8.3025      1.00000
     74      -8.2648      1.00000
     75      -8.2334      1.00000
     76      -8.1959      1.00000
     77      -8.1830      1.00000
     78      -8.1668      1.00000
     79      -8.1019      1.00000
     80      -7.6891      1.00000
     81      -7.3596      1.00000
     82      -7.3103      1.00000
     83      -7.2664      1.00000
     84      -7.1904      1.00000
     85      -7.1259      1.00000
     86      -7.0766      1.00000
     87      -6.9057      1.00000
     88      -6.8820      1.00000
     89      -6.5454      1.00000
     90      -6.4964      1.00000
     91      -6.2062      1.00000
     92      -6.0705      1.00000
     93      -5.9434      1.00000
     94      -5.7151      1.00000
     95      -5.6341      1.00000
     96      -5.4532      1.00000
     97      -5.3050      1.00000
     98      -5.2357      1.00000
     99      -5.1539      1.00000
    100      -5.1503      1.00000
    101      -4.5239      1.00000
    102      -4.4720      1.00000
    103      -4.1447      1.00000
    104      -3.8391      1.00000
    105      -3.7571      1.00000
    106      -3.6783      1.00000
    107      -1.8714      0.00000
    108      -1.8244      0.00000
    109      -1.2790      0.00000
    110      -1.0331      0.00000
    111      -1.0130      0.00000
    112      -0.7136      0.00000
    113      -0.6371      0.00000
    114      -0.5885      0.00000
    115      -0.5464      0.00000
    116      -0.2027      0.00000
    117       0.2516      0.00000
    118       0.2782      0.00000
    119       0.7599      0.00000
    120       0.9455      0.00000
    121       1.1343      0.00000
    122       1.2242      0.00000
    123       1.3202      0.00000
    124       1.4148      0.00000
    125       1.6002      0.00000
    126       1.6342      0.00000
    127       1.6984      0.00000
    128       1.8295      0.00000
    129       1.9212      0.00000
    130       2.0090      0.00000
    131       2.1035      0.00000
    132       2.3339      0.00000
    133       2.3936      0.00000
    134       2.4323      0.00000
    135       2.5390      0.00000
    136       2.6348      0.00000
    137       2.7642      0.00000
    138       2.8268      0.00000
    139       2.8344      0.00000
    140       2.8906      0.00000
    141       3.0455      0.00000
    142       3.0870      0.00000
    143       3.1881      0.00000
    144       3.2375      0.00000
    145       3.3802      0.00000
    146       3.4210      0.00000
    147       3.4866      0.00000
    148       3.5860      0.00000
    149       3.6058      0.00000
    150       3.6311      0.00000
    151       3.6506      0.00000
    152       3.7424      0.00000
    153       3.7727      0.00000
    154       3.7879      0.00000
    155       3.8129      0.00000
    156       3.8945      0.00000
    157       3.9745      0.00000
    158       4.0084      0.00000
    159       4.1775      0.00000
    160       4.2374      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2476      1.00000
      2     -21.8932      1.00000
      3     -21.8225      1.00000
      4     -21.3107      1.00000
      5     -21.2802      1.00000
      6     -20.7708      1.00000
      7     -20.7049      1.00000
      8     -20.5570      1.00000
      9     -20.0071      1.00000
     10     -19.9994      1.00000
     11     -19.6481      1.00000
     12     -19.6236      1.00000
     13     -18.9286      1.00000
     14     -18.9198      1.00000
     15     -18.5672      1.00000
     16     -18.5536      1.00000
     17     -18.3963      1.00000
     18     -17.6176      1.00000
     19     -17.5607      1.00000
     20     -17.5560      1.00000
     21     -17.5149      1.00000
     22     -17.0539      1.00000
     23     -17.0366      1.00000
     24     -16.8860      1.00000
     25     -15.9251      1.00000
     26     -15.8648      1.00000
     27     -15.5171      1.00000
     28     -15.5164      1.00000
     29     -15.2287      1.00000
     30     -14.7937      1.00000
     31     -14.7665      1.00000
     32     -14.5185      1.00000
     33     -14.4745      1.00000
     34     -14.0967      1.00000
     35     -14.0855      1.00000
     36     -13.0749      1.00000
     37     -13.0362      1.00000
     38     -12.9708      1.00000
     39     -12.9585      1.00000
     40     -12.6486      1.00000
     41     -12.6418      1.00000
     42     -12.2709      1.00000
     43     -12.2395      1.00000
     44     -11.5831      1.00000
     45     -11.5548      1.00000
     46     -11.5035      1.00000
     47     -10.9018      1.00000
     48     -10.8471      1.00000
     49     -10.6228      1.00000
     50     -10.5617      1.00000
     51     -10.4866      1.00000
     52     -10.4289      1.00000
     53     -10.4195      1.00000
     54     -10.3724      1.00000
     55     -10.3021      1.00000
     56     -10.0653      1.00000
     57      -9.8328      1.00000
     58      -9.5571      1.00000
     59      -9.4975      1.00000
     60      -9.4713      1.00000
     61      -9.3411      1.00000
     62      -9.3311      1.00000
     63      -9.3173      1.00000
     64      -9.3104      1.00000
     65      -9.2134      1.00000
     66      -9.1074      1.00000
     67      -9.0744      1.00000
     68      -9.0461      1.00000
     69      -8.8474      1.00000
     70      -8.7871      1.00000
     71      -8.7694      1.00000
     72      -8.5275      1.00000
     73      -8.4763      1.00000
     74      -8.2232      1.00000
     75      -8.1064      1.00000
     76      -8.0950      1.00000
     77      -7.8086      1.00000
     78      -7.7884      1.00000
     79      -7.7883      1.00000
     80      -7.6729      1.00000
     81      -7.6343      1.00000
     82      -7.6319      1.00000
     83      -7.4012      1.00000
     84      -7.3250      1.00000
     85      -7.2007      1.00000
     86      -6.8375      1.00000
     87      -6.8257      1.00000
     88      -6.6624      1.00000
     89      -6.5381      1.00000
     90      -6.3503      1.00000
     91      -6.3072      1.00000
     92      -6.1816      1.00000
     93      -6.1412      1.00000
     94      -5.9788      1.00000
     95      -5.5741      1.00000
     96      -5.4275      1.00000
     97      -5.2604      1.00000
     98      -5.2515      1.00000
     99      -5.1508      1.00000
    100      -4.6944      1.00000
    101      -4.6655      1.00000
    102      -4.3497      1.00000
    103      -4.3168      1.00000
    104      -3.9658      1.00000
    105      -3.8328      1.00000
    106      -3.3874      1.00000
    107      -2.2207      0.00000
    108      -1.3767      0.00000
    109      -1.2855      0.00000
    110      -1.1740      0.00000
    111      -1.0786      0.00000
    112      -0.8953      0.00000
    113      -0.7686      0.00000
    114      -0.7583      0.00000
    115      -0.2183      0.00000
    116       0.1170      0.00000
    117       0.2674      0.00000
    118       0.3458      0.00000
    119       0.7332      0.00000
    120       0.9025      0.00000
    121       0.9703      0.00000
    122       1.0954      0.00000
    123       1.2076      0.00000
    124       1.5289      0.00000
    125       1.5638      0.00000
    126       1.7175      0.00000
    127       1.8370      0.00000
    128       1.8601      0.00000
    129       1.9666      0.00000
    130       2.0008      0.00000
    131       2.1566      0.00000
    132       2.2644      0.00000
    133       2.4540      0.00000
    134       2.4788      0.00000
    135       2.5081      0.00000
    136       2.6687      0.00000
    137       2.6879      0.00000
    138       2.7309      0.00000
    139       2.7496      0.00000
    140       2.8907      0.00000
    141       3.0216      0.00000
    142       3.0813      0.00000
    143       3.2025      0.00000
    144       3.2631      0.00000
    145       3.2633      0.00000
    146       3.2680      0.00000
    147       3.3706      0.00000
    148       3.4774      0.00000
    149       3.5320      0.00000
    150       3.6954      0.00000
    151       3.7580      0.00000
    152       3.7688      0.00000
    153       3.8330      0.00000
    154       3.8800      0.00000
    155       3.9424      0.00000
    156       3.9901      0.00000
    157       4.0300      0.00000
    158       4.0574      0.00000
    159       4.0630      0.00000
    160       4.1195      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1416      1.00000
      2     -22.0463      1.00000
      3     -21.8860      1.00000
      4     -21.3338      1.00000
      5     -20.9815      1.00000
      6     -20.9429      1.00000
      7     -20.4331      1.00000
      8     -20.3902      1.00000
      9     -20.2269      1.00000
     10     -20.2054      1.00000
     11     -19.8879      1.00000
     12     -19.8202      1.00000
     13     -18.8134      1.00000
     14     -18.7421      1.00000
     15     -18.2911      1.00000
     16     -18.2370      1.00000
     17     -18.0865      1.00000
     18     -18.0642      1.00000
     19     -17.7628      1.00000
     20     -17.7193      1.00000
     21     -17.1910      1.00000
     22     -17.1654      1.00000
     23     -17.1019      1.00000
     24     -17.0617      1.00000
     25     -16.0387      1.00000
     26     -15.8206      1.00000
     27     -15.7994      1.00000
     28     -15.7620      1.00000
     29     -15.1751      1.00000
     30     -14.4887      1.00000
     31     -14.4566      1.00000
     32     -14.2188      1.00000
     33     -13.8989      1.00000
     34     -13.8901      1.00000
     35     -13.7580      1.00000
     36     -13.7347      1.00000
     37     -13.5519      1.00000
     38     -13.5018      1.00000
     39     -13.3001      1.00000
     40     -12.5649      1.00000
     41     -12.1247      1.00000
     42     -12.0647      1.00000
     43     -12.0079      1.00000
     44     -11.9494      1.00000
     45     -11.6142      1.00000
     46     -11.5910      1.00000
     47     -11.0830      1.00000
     48     -11.0501      1.00000
     49     -10.7505      1.00000
     50     -10.6596      1.00000
     51     -10.5268      1.00000
     52     -10.1565      1.00000
     53     -10.1351      1.00000
     54     -10.0960      1.00000
     55      -9.9567      1.00000
     56      -9.9479      1.00000
     57      -9.9161      1.00000
     58      -9.7406      1.00000
     59      -9.7332      1.00000
     60      -9.6979      1.00000
     61      -9.6924      1.00000
     62      -9.4282      1.00000
     63      -9.3592      1.00000
     64      -9.0865      1.00000
     65      -9.0129      1.00000
     66      -8.9719      1.00000
     67      -8.8863      1.00000
     68      -8.8113      1.00000
     69      -8.6598      1.00000
     70      -8.6390      1.00000
     71      -8.5779      1.00000
     72      -8.4744      1.00000
     73      -8.4630      1.00000
     74      -8.4005      1.00000
     75      -8.3923      1.00000
     76      -8.1833      1.00000
     77      -8.1146      1.00000
     78      -7.9775      1.00000
     79      -7.9160      1.00000
     80      -7.8487      1.00000
     81      -7.6175      1.00000
     82      -7.5291      1.00000
     83      -7.4667      1.00000
     84      -7.2573      1.00000
     85      -6.9377      1.00000
     86      -6.8610      1.00000
     87      -6.8137      1.00000
     88      -6.5745      1.00000
     89      -6.4646      1.00000
     90      -6.4168      1.00000
     91      -6.3557      1.00000
     92      -6.0531      1.00000
     93      -5.8787      1.00000
     94      -5.7524      1.00000
     95      -5.7230      1.00000
     96      -5.4775      1.00000
     97      -5.3472      1.00000
     98      -5.1809      1.00000
     99      -5.1577      1.00000
    100      -5.1535      1.00000
    101      -4.7072      1.00000
    102      -4.4423      1.00000
    103      -4.2566      1.00000
    104      -3.9976      1.00000
    105      -3.8316      1.00000
    106      -3.1550      1.00000
    107      -2.4635      0.00000
    108      -1.3807      0.00000
    109      -1.2397      0.00000
    110      -1.1471      0.00000
    111      -1.1133      0.00000
    112      -0.5646      0.00000
    113      -0.4346      0.00000
    114      -0.4300      0.00000
    115      -0.3075      0.00000
    116      -0.1906      0.00000
    117       0.0607      0.00000
    118       0.1161      0.00000
    119       0.5416      0.00000
    120       0.6837      0.00000
    121       0.8715      0.00000
    122       0.9672      0.00000
    123       1.1101      0.00000
    124       1.4971      0.00000
    125       1.6651      0.00000
    126       1.7971      0.00000
    127       1.8781      0.00000
    128       2.0919      0.00000
    129       2.1331      0.00000
    130       2.2007      0.00000
    131       2.2184      0.00000
    132       2.3403      0.00000
    133       2.3663      0.00000
    134       2.4882      0.00000
    135       2.5842      0.00000
    136       2.6682      0.00000
    137       2.8770      0.00000
    138       2.9358      0.00000
    139       2.9669      0.00000
    140       2.9945      0.00000
    141       3.0515      0.00000
    142       3.1498      0.00000
    143       3.1887      0.00000
    144       3.2575      0.00000
    145       3.2904      0.00000
    146       3.3303      0.00000
    147       3.3520      0.00000
    148       3.3792      0.00000
    149       3.3988      0.00000
    150       3.4949      0.00000
    151       3.5532      0.00000
    152       3.6338      0.00000
    153       3.6981      0.00000
    154       3.7081      0.00000
    155       3.7286      0.00000
    156       3.9196      0.00000
    157       3.9460      0.00000
    158       4.0596      0.00000
    159       4.0896      0.00000
    160       4.2007      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2473      1.00000
      2     -21.8947      1.00000
      3     -21.8210      1.00000
      4     -21.3161      1.00000
      5     -21.2772      1.00000
      6     -20.7707      1.00000
      7     -20.7016      1.00000
      8     -20.5534      1.00000
      9     -20.0232      1.00000
     10     -19.9905      1.00000
     11     -19.6498      1.00000
     12     -19.6182      1.00000
     13     -18.9437      1.00000
     14     -18.9081      1.00000
     15     -18.5852      1.00000
     16     -18.5474      1.00000
     17     -18.3902      1.00000
     18     -17.6017      1.00000
     19     -17.5671      1.00000
     20     -17.5399      1.00000
     21     -17.5063      1.00000
     22     -17.0756      1.00000
     23     -17.0271      1.00000
     24     -16.9022      1.00000
     25     -15.9473      1.00000
     26     -15.8518      1.00000
     27     -15.5319      1.00000
     28     -15.5059      1.00000
     29     -15.2085      1.00000
     30     -14.8138      1.00000
     31     -14.7611      1.00000
     32     -14.5074      1.00000
     33     -14.4657      1.00000
     34     -14.0994      1.00000
     35     -14.0940      1.00000
     36     -13.1048      1.00000
     37     -13.0277      1.00000
     38     -12.9534      1.00000
     39     -12.9480      1.00000
     40     -12.6541      1.00000
     41     -12.6250      1.00000
     42     -12.2747      1.00000
     43     -12.2486      1.00000
     44     -11.5764      1.00000
     45     -11.5552      1.00000
     46     -11.5012      1.00000
     47     -10.8776      1.00000
     48     -10.8729      1.00000
     49     -10.6829      1.00000
     50     -10.5242      1.00000
     51     -10.5187      1.00000
     52     -10.4389      1.00000
     53     -10.4142      1.00000
     54     -10.3690      1.00000
     55     -10.2833      1.00000
     56     -10.0608      1.00000
     57      -9.8315      1.00000
     58      -9.5554      1.00000
     59      -9.4797      1.00000
     60      -9.4436      1.00000
     61      -9.3649      1.00000
     62      -9.3339      1.00000
     63      -9.3033      1.00000
     64      -9.2996      1.00000
     65      -9.2064      1.00000
     66      -9.1020      1.00000
     67      -9.0710      1.00000
     68      -9.0504      1.00000
     69      -8.8510      1.00000
     70      -8.8059      1.00000
     71      -8.7743      1.00000
     72      -8.5260      1.00000
     73      -8.4973      1.00000
     74      -8.2274      1.00000
     75      -8.1355      1.00000
     76      -8.0905      1.00000
     77      -7.8046      1.00000
     78      -7.7643      1.00000
     79      -7.7383      1.00000
     80      -7.7039      1.00000
     81      -7.6325      1.00000
     82      -7.6245      1.00000
     83      -7.3884      1.00000
     84      -7.3430      1.00000
     85      -7.2205      1.00000
     86      -6.8436      1.00000
     87      -6.8230      1.00000
     88      -6.6397      1.00000
     89      -6.5303      1.00000
     90      -6.3377      1.00000
     91      -6.2744      1.00000
     92      -6.1963      1.00000
     93      -6.1348      1.00000
     94      -6.0209      1.00000
     95      -5.6371      1.00000
     96      -5.5095      1.00000
     97      -5.2965      1.00000
     98      -5.1550      1.00000
     99      -5.0416      1.00000
    100      -4.7264      1.00000
    101      -4.6869      1.00000
    102      -4.3695      1.00000
    103      -4.1859      1.00000
    104      -4.0108      1.00000
    105      -3.8311      1.00000
    106      -3.4848      1.00000
    107      -2.1638      0.00000
    108      -1.3850      0.00000
    109      -1.2351      0.00000
    110      -1.1843      0.00000
    111      -1.0156      0.00000
    112      -0.9529      0.00000
    113      -0.7968      0.00000
    114      -0.7512      0.00000
    115      -0.3662      0.00000
    116       0.2436      0.00000
    117       0.2752      0.00000
    118       0.3641      0.00000
    119       0.6999      0.00000
    120       0.8703      0.00000
    121       0.9652      0.00000
    122       1.1275      0.00000
    123       1.2336      0.00000
    124       1.4577      0.00000
    125       1.5546      0.00000
    126       1.7821      0.00000
    127       1.8530      0.00000
    128       1.8852      0.00000
    129       1.9839      0.00000
    130       2.0300      0.00000
    131       2.1983      0.00000
    132       2.2128      0.00000
    133       2.4032      0.00000
    134       2.4492      0.00000
    135       2.5645      0.00000
    136       2.6569      0.00000
    137       2.6840      0.00000
    138       2.7270      0.00000
    139       2.7712      0.00000
    140       2.8595      0.00000
    141       2.9672      0.00000
    142       3.0839      0.00000
    143       3.1932      0.00000
    144       3.2435      0.00000
    145       3.2592      0.00000
    146       3.2983      0.00000
    147       3.3371      0.00000
    148       3.4835      0.00000
    149       3.5055      0.00000
    150       3.7056      0.00000
    151       3.7215      0.00000
    152       3.7709      0.00000
    153       3.8597      0.00000
    154       3.8776      0.00000
    155       3.9026      0.00000
    156       3.9990      0.00000
    157       4.0031      0.00000
    158       4.0570      0.00000
    159       4.0772      0.00000
    160       4.1316      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3192      1.00000
      2     -21.7608      1.00000
      3     -21.5676      1.00000
      4     -21.5407      1.00000
      5     -21.2047      1.00000
      6     -21.1659      1.00000
      7     -20.9843      1.00000
      8     -20.0976      1.00000
      9     -20.0588      1.00000
     10     -19.5481      1.00000
     11     -19.5277      1.00000
     12     -19.3422      1.00000
     13     -19.0276      1.00000
     14     -18.9888      1.00000
     15     -18.9775      1.00000
     16     -18.9706      1.00000
     17     -18.2969      1.00000
     18     -18.2832      1.00000
     19     -17.9423      1.00000
     20     -16.9975      1.00000
     21     -16.9562      1.00000
     22     -16.8826      1.00000
     23     -16.8699      1.00000
     24     -16.4197      1.00000
     25     -16.3969      1.00000
     26     -15.5431      1.00000
     27     -15.5398      1.00000
     28     -15.1710      1.00000
     29     -15.1697      1.00000
     30     -15.1269      1.00000
     31     -15.0332      1.00000
     32     -14.9980      1.00000
     33     -14.6360      1.00000
     34     -14.6290      1.00000
     35     -13.6646      1.00000
     36     -13.6547      1.00000
     37     -13.1652      1.00000
     38     -12.5710      1.00000
     39     -12.5108      1.00000
     40     -12.3826      1.00000
     41     -12.3823      1.00000
     42     -12.0356      1.00000
     43     -12.0315      1.00000
     44     -11.6618      1.00000
     45     -11.6213      1.00000
     46     -11.2084      1.00000
     47     -11.1590      1.00000
     48     -10.9515      1.00000
     49     -10.9377      1.00000
     50     -10.8641      1.00000
     51     -10.8316      1.00000
     52     -10.6258      1.00000
     53     -10.1452      1.00000
     54     -10.0818      1.00000
     55     -10.0199      1.00000
     56      -9.9439      1.00000
     57      -9.6300      1.00000
     58      -9.6274      1.00000
     59      -9.6021      1.00000
     60      -9.5435      1.00000
     61      -9.5066      1.00000
     62      -9.4801      1.00000
     63      -9.2712      1.00000
     64      -9.2300      1.00000
     65      -9.2037      1.00000
     66      -9.1891      1.00000
     67      -9.0622      1.00000
     68      -9.0424      1.00000
     69      -9.0389      1.00000
     70      -8.8759      1.00000
     71      -8.8183      1.00000
     72      -8.5387      1.00000
     73      -8.5367      1.00000
     74      -8.5040      1.00000
     75      -8.0234      1.00000
     76      -7.8378      1.00000
     77      -7.8000      1.00000
     78      -7.7761      1.00000
     79      -7.6985      1.00000
     80      -7.6801      1.00000
     81      -7.4151      1.00000
     82      -7.2842      1.00000
     83      -7.2469      1.00000
     84      -7.2040      1.00000
     85      -7.0807      1.00000
     86      -7.0763      1.00000
     87      -6.9462      1.00000
     88      -6.7111      1.00000
     89      -6.6753      1.00000
     90      -6.6300      1.00000
     91      -6.5561      1.00000
     92      -6.0683      1.00000
     93      -6.0280      1.00000
     94      -6.0061      1.00000
     95      -5.9410      1.00000
     96      -5.7991      1.00000
     97      -5.1829      1.00000
     98      -4.8964      1.00000
     99      -4.7946      1.00000
    100      -4.6092      1.00000
    101      -4.5132      1.00000
    102      -4.1421      1.00000
    103      -4.0914      1.00000
    104      -3.9321      1.00000
    105      -3.9181      1.00000
    106      -3.8301      1.00000
    107      -1.7517      0.00000
    108      -1.6955      0.00000
    109      -1.4118      0.00000
    110      -1.3703      0.00000
    111      -1.2651      0.00000
    112      -1.2340      0.00000
    113      -0.6247      0.00000
    114      -0.5942      0.00000
    115      -0.1925      0.00000
    116       0.0411      0.00000
    117       0.5832      0.00000
    118       0.7385      0.00000
    119       0.8480      0.00000
    120       0.9294      0.00000
    121       1.1687      0.00000
    122       1.2122      0.00000
    123       1.2495      0.00000
    124       1.4171      0.00000
    125       1.6012      0.00000
    126       1.6385      0.00000
    127       1.7031      0.00000
    128       1.8094      0.00000
    129       1.9224      0.00000
    130       1.9388      0.00000
    131       2.1484      0.00000
    132       2.1710      0.00000
    133       2.2591      0.00000
    134       2.2960      0.00000
    135       2.5488      0.00000
    136       2.5597      0.00000
    137       2.6397      0.00000
    138       2.7608      0.00000
    139       2.8119      0.00000
    140       2.8530      0.00000
    141       2.8939      0.00000
    142       2.9481      0.00000
    143       3.0180      0.00000
    144       3.0243      0.00000
    145       3.0818      0.00000
    146       3.3141      0.00000
    147       3.3784      0.00000
    148       3.4218      0.00000
    149       3.4843      0.00000
    150       3.5979      0.00000
    151       3.6594      0.00000
    152       3.6695      0.00000
    153       3.6846      0.00000
    154       3.9034      0.00000
    155       3.9733      0.00000
    156       4.0258      0.00000
    157       4.0729      0.00000
    158       4.2491      0.00000
    159       4.2573      0.00000
    160       4.2689      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1405      1.00000
      2     -22.0475      1.00000
      3     -21.8859      1.00000
      4     -21.3358      1.00000
      5     -20.9760      1.00000
      6     -20.9464      1.00000
      7     -20.4278      1.00000
      8     -20.3956      1.00000
      9     -20.2142      1.00000
     10     -20.2121      1.00000
     11     -19.8890      1.00000
     12     -19.8252      1.00000
     13     -18.8198      1.00000
     14     -18.7490      1.00000
     15     -18.2630      1.00000
     16     -18.2491      1.00000
     17     -18.0801      1.00000
     18     -18.0734      1.00000
     19     -17.7435      1.00000
     20     -17.7280      1.00000
     21     -17.1967      1.00000
     22     -17.1728      1.00000
     23     -17.0833      1.00000
     24     -17.0716      1.00000
     25     -16.0515      1.00000
     26     -15.8103      1.00000
     27     -15.8007      1.00000
     28     -15.7817      1.00000
     29     -15.1556      1.00000
     30     -14.4893      1.00000
     31     -14.4678      1.00000
     32     -14.2017      1.00000
     33     -13.9126      1.00000
     34     -13.8823      1.00000
     35     -13.7575      1.00000
     36     -13.7373      1.00000
     37     -13.5367      1.00000
     38     -13.5108      1.00000
     39     -13.3000      1.00000
     40     -12.5747      1.00000
     41     -12.1029      1.00000
     42     -12.0789      1.00000
     43     -12.0017      1.00000
     44     -11.9543      1.00000
     45     -11.5995      1.00000
     46     -11.5914      1.00000
     47     -11.0887      1.00000
     48     -11.0651      1.00000
     49     -10.7394      1.00000
     50     -10.6722      1.00000
     51     -10.5614      1.00000
     52     -10.1348      1.00000
     53     -10.1302      1.00000
     54     -10.1001      1.00000
     55      -9.9642      1.00000
     56      -9.9217      1.00000
     57      -9.9198      1.00000
     58      -9.7488      1.00000
     59      -9.7239      1.00000
     60      -9.6963      1.00000
     61      -9.6960      1.00000
     62      -9.4022      1.00000
     63      -9.3986      1.00000
     64      -9.0686      1.00000
     65      -8.9799      1.00000
     66      -8.9777      1.00000
     67      -8.9092      1.00000
     68      -8.8119      1.00000
     69      -8.6460      1.00000
     70      -8.6287      1.00000
     71      -8.5478      1.00000
     72      -8.5101      1.00000
     73      -8.4909      1.00000
     74      -8.3935      1.00000
     75      -8.3818      1.00000
     76      -8.2098      1.00000
     77      -8.1021      1.00000
     78      -8.0058      1.00000
     79      -7.9002      1.00000
     80      -7.8403      1.00000
     81      -7.6225      1.00000
     82      -7.5341      1.00000
     83      -7.4624      1.00000
     84      -7.2543      1.00000
     85      -6.9372      1.00000
     86      -6.8632      1.00000
     87      -6.8039      1.00000
     88      -6.4801      1.00000
     89      -6.4744      1.00000
     90      -6.4154      1.00000
     91      -6.3617      1.00000
     92      -6.1922      1.00000
     93      -5.8572      1.00000
     94      -5.7370      1.00000
     95      -5.7110      1.00000
     96      -5.5235      1.00000
     97      -5.3296      1.00000
     98      -5.1700      1.00000
     99      -5.1671      1.00000
    100      -5.1346      1.00000
    101      -4.6980      1.00000
    102      -4.3500      1.00000
    103      -4.2818      1.00000
    104      -4.0315      1.00000
    105      -3.8326      1.00000
    106      -3.2348      1.00000
    107      -2.4035      0.00000
    108      -1.3473      0.00000
    109      -1.2401      0.00000
    110      -1.1531      0.00000
    111      -1.1097      0.00000
    112      -0.5842      0.00000
    113      -0.5213      0.00000
    114      -0.4334      0.00000
    115      -0.2771      0.00000
    116      -0.0697      0.00000
    117      -0.0100      0.00000
    118       0.0624      0.00000
    119       0.5820      0.00000
    120       0.7094      0.00000
    121       0.8107      0.00000
    122       0.9426      0.00000
    123       1.1812      0.00000
    124       1.5114      0.00000
    125       1.6207      0.00000
    126       1.8528      0.00000
    127       2.0054      0.00000
    128       2.0502      0.00000
    129       2.1151      0.00000
    130       2.1629      0.00000
    131       2.2553      0.00000
    132       2.2844      0.00000
    133       2.3455      0.00000
    134       2.4678      0.00000
    135       2.6134      0.00000
    136       2.7008      0.00000
    137       2.8213      0.00000
    138       2.9191      0.00000
    139       2.9453      0.00000
    140       3.0363      0.00000
    141       3.0491      0.00000
    142       3.1552      0.00000
    143       3.1659      0.00000
    144       3.2240      0.00000
    145       3.2968      0.00000
    146       3.3113      0.00000
    147       3.3527      0.00000
    148       3.3716      0.00000
    149       3.4169      0.00000
    150       3.4484      0.00000
    151       3.5474      0.00000
    152       3.6131      0.00000
    153       3.7045      0.00000
    154       3.7376      0.00000
    155       3.8464      0.00000
    156       3.9056      0.00000
    157       3.9299      0.00000
    158       3.9578      0.00000
    159       4.1431      0.00000
    160       4.1776      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2132      1.00000
      2     -22.0078      1.00000
      3     -21.6464      1.00000
      4     -21.6153      1.00000
      5     -20.9095      1.00000
      6     -20.8689      1.00000
      7     -20.5385      1.00000
      8     -20.5051      1.00000
      9     -20.4993      1.00000
     10     -19.9604      1.00000
     11     -19.4429      1.00000
     12     -19.4206      1.00000
     13     -19.2418      1.00000
     14     -19.2344      1.00000
     15     -18.3739      1.00000
     16     -18.3389      1.00000
     17     -17.8597      1.00000
     18     -17.8434      1.00000
     19     -17.6886      1.00000
     20     -17.6527      1.00000
     21     -17.3729      1.00000
     22     -17.3585      1.00000
     23     -17.2623      1.00000
     24     -16.4177      1.00000
     25     -16.3942      1.00000
     26     -15.9017      1.00000
     27     -15.3465      1.00000
     28     -15.3416      1.00000
     29     -15.0341      1.00000
     30     -15.0243      1.00000
     31     -14.7735      1.00000
     32     -14.7716      1.00000
     33     -14.2345      1.00000
     34     -14.1836      1.00000
     35     -13.3847      1.00000
     36     -13.3301      1.00000
     37     -13.1126      1.00000
     38     -13.1045      1.00000
     39     -12.9160      1.00000
     40     -12.9101      1.00000
     41     -12.5463      1.00000
     42     -12.5386      1.00000
     43     -12.1273      1.00000
     44     -11.5203      1.00000
     45     -11.4757      1.00000
     46     -11.2504      1.00000
     47     -11.2186      1.00000
     48     -11.0801      1.00000
     49     -10.7090      1.00000
     50     -10.5988      1.00000
     51     -10.5111      1.00000
     52     -10.2466      1.00000
     53     -10.2428      1.00000
     54     -10.1223      1.00000
     55     -10.0580      1.00000
     56     -10.0417      1.00000
     57      -9.7847      1.00000
     58      -9.6832      1.00000
     59      -9.6705      1.00000
     60      -9.6334      1.00000
     61      -9.6236      1.00000
     62      -9.5858      1.00000
     63      -9.2922      1.00000
     64      -9.2798      1.00000
     65      -9.2630      1.00000
     66      -9.0660      1.00000
     67      -8.8912      1.00000
     68      -8.8802      1.00000
     69      -8.7185      1.00000
     70      -8.5822      1.00000
     71      -8.5355      1.00000
     72      -8.3503      1.00000
     73      -8.3055      1.00000
     74      -8.2436      1.00000
     75      -8.2354      1.00000
     76      -8.1975      1.00000
     77      -8.1841      1.00000
     78      -8.1747      1.00000
     79      -8.1082      1.00000
     80      -7.6885      1.00000
     81      -7.4194      1.00000
     82      -7.3397      1.00000
     83      -7.2538      1.00000
     84      -7.1618      1.00000
     85      -7.1110      1.00000
     86      -7.0055      1.00000
     87      -6.9054      1.00000
     88      -6.8487      1.00000
     89      -6.5502      1.00000
     90      -6.4908      1.00000
     91      -6.2141      1.00000
     92      -6.2098      1.00000
     93      -5.8932      1.00000
     94      -5.6748      1.00000
     95      -5.6079      1.00000
     96      -5.5811      1.00000
     97      -5.2517      1.00000
     98      -5.2303      1.00000
     99      -5.1642      1.00000
    100      -5.1345      1.00000
    101      -4.6015      1.00000
    102      -4.2515      1.00000
    103      -4.0481      1.00000
    104      -3.8866      1.00000
    105      -3.8448      1.00000
    106      -3.8024      1.00000
    107      -1.8068      0.00000
    108      -1.7794      0.00000
    109      -1.2274      0.00000
    110      -1.1720      0.00000
    111      -0.9755      0.00000
    112      -0.7363      0.00000
    113      -0.6495      0.00000
    114      -0.5951      0.00000
    115      -0.5479      0.00000
    116      -0.1526      0.00000
    117       0.1774      0.00000
    118       0.2896      0.00000
    119       0.7055      0.00000
    120       0.9484      0.00000
    121       1.1670      0.00000
    122       1.2763      0.00000
    123       1.3438      0.00000
    124       1.5129      0.00000
    125       1.6061      0.00000
    126       1.6267      0.00000
    127       1.6905      0.00000
    128       1.7775      0.00000
    129       1.8565      0.00000
    130       2.0815      0.00000
    131       2.1695      0.00000
    132       2.3178      0.00000
    133       2.3930      0.00000
    134       2.4257      0.00000
    135       2.5599      0.00000
    136       2.6230      0.00000
    137       2.6860      0.00000
    138       2.7541      0.00000
    139       2.8217      0.00000
    140       2.9133      0.00000
    141       3.0603      0.00000
    142       3.0658      0.00000
    143       3.1815      0.00000
    144       3.2796      0.00000
    145       3.3757      0.00000
    146       3.4126      0.00000
    147       3.4629      0.00000
    148       3.5535      0.00000
    149       3.5709      0.00000
    150       3.6277      0.00000
    151       3.6607      0.00000
    152       3.7005      0.00000
    153       3.7877      0.00000
    154       3.8058      0.00000
    155       3.8227      0.00000
    156       3.8947      0.00000
    157       3.8998      0.00000
    158       3.9787      0.00000
    159       4.1938      0.00000
    160       4.2353      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0400   -7.2555    3.9847   -1.1331   -0.1860   17.3758    0.4899   -0.8146    0.7721   -0.4774
x    -3.1249   -0.0256   -0.0213   -0.0253    0.0910   -3.0539    0.0297   -0.0244    0.0084    0.0018
x    -0.0951   -0.0028    0.0035   -0.0031    0.0022   -0.0243    0.0000    0.0000   -0.0001    0.0001
x    -0.0035   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0400    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0034    0.0000    0.0004    0.0007    0.0028   -0.0990   -0.0315    0.0620    0.0184
y     0.0229   -3.2424   -0.1789    0.1698   -2.4125   -0.6648
z   204.0400    1.7388    0.2895    0.0888   -0.0013    0.0781   -0.0019    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1048    0.0015   -0.0010   -0.0001    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0013   -0.0001    0.0001    0.0000
z    -0.0001    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  -16.6945
z     0.1377    0.2297   -0.0310    0.0576   -0.0907    0.0006
 total charge-density along one line
x   212.0000  -10.0862    5.9314   -1.9420   -0.4216   19.2948   -0.6596    0.2078    0.0670   -0.1069
x    -2.7042   -0.0093    0.0010   -0.0442    0.0965   -2.3445    0.0472   -0.0344    0.0118    0.0024
x    -0.0852   -0.0054    0.0083   -0.0079    0.0054   -0.0376    0.0000   -0.0001    0.0003   -0.0004
x    -0.0055    0.0000   -0.0002    0.0001    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  -10.0862    5.9314   -1.9420   -0.4216   19.2948   -0.6596    0.2078    0.0670   -0.1069
y    -2.7042   -0.0093    0.0010   -0.0442    0.0965   -2.3445    0.0472   -0.0344    0.0118    0.0024
y    -0.0852   -0.0054    0.0083   -0.0079    0.0054   -0.0376    0.0000   -0.0001    0.0003   -0.0004
y    -0.0055    0.0000   -0.0002    0.0001    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 -205.3090  188.8792 -170.1749  154.0885 -140.4019  126.4933 -111.0129   94.7459  -79.0846
z    64.7215  -51.7880   40.5541  -31.5036   24.7821  -19.8574   15.8596  -12.2138    8.9092   -6.2235
z     4.2919   -2.9592    1.9609   -1.1527    0.5423   -0.1570   -0.0610    0.2213   -0.3835    0.5185
z    -0.5687    0.5255   -0.4416    0.3770   -0.3478    0.3292   -0.2950    0.2451   -0.1976    0.1643
z    -0.1415    0.1197   -0.0959    0.0749   -0.0611    0.0533   -0.0469    0.0392   -0.0314    0.0258
z    -0.0227    0.0203   -0.0173    0.0141   -0.0113    0.0093   -0.0076    0.0058   -0.0043    0.0032
z    -0.0022    0.0013   -0.0004   -0.0002    0.0004   -0.0004    0.0005   -0.0008    0.0009   -0.0007
z     0.0004   -0.0002    0.0001   -0.0001    0.0000    0.0001   -0.0003    0.0003   -0.0004    0.0003
z    -0.0003    0.0003   -0.0002    0.0002   -0.0002    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001
z     0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 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
-10.941   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.270   0.000  -0.101   0.000   0.000   0.239   0.000
  0.041   0.000 -11.246   0.000  -0.024  -0.006   0.000   0.238
  0.000  -0.101   0.000 -11.154   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.938   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.238   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.226   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.199   0.000   0.000   0.000
  0.036   0.000   0.101   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.025   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.941   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.270   0.000  -0.101   0.000   0.000   0.239   0.000
  0.041   0.000 -11.246   0.000  -0.024  -0.006   0.000   0.238
  0.000  -0.101   0.000 -11.154   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.938   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.238   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.226   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.199   0.000   0.000   0.000
  0.036   0.000   0.101   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.025   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.960   0.000  -0.027   0.000   0.002   0.021   0.000   0.057   0.000  -0.014  -0.026   0.025   0.000  -0.001   0.000   0.000
  0.000   1.586   0.000  -0.146   0.000   0.000   0.594   0.000   0.259   0.000   0.000   0.000   0.160   0.000   0.106  -0.035
 -0.027   0.000   1.788   0.000   0.018   0.043   0.000   0.356   0.000  -0.026  -0.233  -0.044   0.000   0.096   0.000   0.000
  0.000  -0.146   0.000   1.755   0.000   0.000   0.259   0.000   0.295   0.000   0.000   0.000   0.108   0.000   0.038   0.005
  0.002   0.000   0.018   0.000   1.966  -0.014   0.000  -0.035   0.000   0.003   0.010  -0.015   0.000   0.003   0.000   0.000
  0.021   0.000   0.043   0.000  -0.014   0.063   0.000   0.101   0.000  -0.024   0.191  -0.052   0.000   0.116   0.000   0.000
  0.000   0.594   0.000   0.259   0.000   0.000   0.329   0.000   0.106   0.000   0.000   0.000   0.056   0.000   0.066  -0.011
  0.057   0.000   0.356   0.000  -0.035   0.101   0.000   0.566   0.000  -0.057   0.703  -0.294   0.000   0.087   0.000   0.000
  0.000   0.259   0.000   0.295   0.000   0.000   0.106   0.000   0.207   0.000   0.000   0.000   0.065   0.000  -0.020  -0.006
 -0.014   0.000  -0.026   0.000   0.003  -0.024   0.000  -0.057   0.000   0.036  -0.109   0.030   0.000  -0.068   0.000   0.000
 -0.026   0.000  -0.233   0.000   0.010   0.191   0.000   0.703   0.000  -0.109   1.352  -0.433   0.000   0.265   0.000   0.000
  0.025   0.000  -0.044   0.000  -0.015  -0.052   0.000  -0.294   0.000   0.030  -0.433   0.193   0.000  -0.033   0.000   0.000
  0.000   0.160   0.000   0.108   0.000   0.000   0.056   0.000   0.065   0.000   0.000   0.000   0.043   0.000   0.011  -0.004
 -0.001   0.000   0.096   0.000   0.003   0.116   0.000   0.087   0.000  -0.068   0.265  -0.033   0.000   0.311   0.000   0.000
  0.000   0.106   0.000   0.038   0.000   0.000   0.066   0.000  -0.020   0.000   0.000   0.000   0.011   0.000   0.031  -0.002
  0.000  -0.035   0.000   0.005   0.000   0.000  -0.011   0.000  -0.006   0.000   0.000   0.000  -0.004   0.000  -0.002   0.001
  0.001   0.000  -0.037   0.000  -0.001  -0.005   0.000  -0.009   0.000   0.003  -0.007   0.000   0.000  -0.014   0.000   0.000
  0.000   0.005   0.000  -0.041   0.000   0.000  -0.006   0.000  -0.004   0.000   0.000   0.000  -0.002   0.000  -0.002   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        0.639   0.278   8.026   8.943
  2        0.514   0.028   0.000   0.542
  3        0.514   0.028   0.000   0.542
  4        0.864   1.783   0.000   2.647
  5        0.864   1.783   0.000   2.646
  6        0.864   1.782   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   1.783   0.000   2.647
 10        0.864   1.784   0.000   2.647
 11        0.863   1.783   0.000   2.646
 12        0.864   1.784   0.000   2.648
 13        0.864   1.783   0.000   2.646
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.863   1.777   0.000   2.640
 17        0.856   1.772   0.000   2.629
 18        0.864   1.784   0.000   2.647
 19        0.864   1.782   0.000   2.646
 20        0.864   1.782   0.000   2.645
 21        0.863   1.781   0.000   2.644
 22        0.863   1.776   0.000   2.639
 23        0.863   1.783   0.000   2.646
 24        0.864   1.783   0.000   2.646
 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   1.783   0.000   2.647
 29        0.864   1.783   0.000   2.646
 30        0.864   1.783   0.000   2.647
 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   1.782   0.000   2.646
 35        0.863   1.783   0.000   2.646
 36        0.863   1.776   0.000   2.639
 37        0.863   1.781   0.000   2.644
 38        0.864   1.782   0.000   2.645
 39        0.864   1.784   0.000   2.648
 40        0.864   1.784   0.000   2.647
 41        0.856   1.772   0.000   2.629
 42        0.863   1.777   0.000   2.640
 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   2.646
 46        0.864   1.784   0.000   2.648
 47        0.863   1.783   0.000   2.646
 48        0.864   1.784   0.000   2.647
 49        0.864   1.783   0.000   2.647
 50        0.864   1.783   0.000   2.647
 51        0.864   1.784   0.000   2.648
 52        0.864   1.782   0.000   2.646
 53        0.864   1.783   0.000   2.646
------------------------------------------------
tot       44.831  89.434   8.026 142.291
 


 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  114.51: CPU time   57.88
    FORLOC:  VPU time    1.25: CPU time    1.25
    FORNL :  VPU time  442.09: CPU time  221.69
    STRESS:  VPU time 1326.80: CPU time  668.95
    FORCOR:  VPU time    8.77: CPU time    8.76
    FORHAR:  VPU time    2.29: CPU time    2.30
    MIXING:  VPU time    0.18: CPU time    0.18
 d Force =-0.1142655E-04[-0.130E-04,-0.987E-05]  d Energy = 0.1322593E-05-0.127E-04
 d Force = 0.6571131E-02[ 0.657E-02, 0.657E-02]  d Ewald  = 0.5770454E-01-0.511E-01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.644389 eV

  energy  without entropy=     -471.644389  energy(sigma->0) =     -471.644389
 

  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    40728.02  40745.91 -47429.90     15.50      0.00      0.00
  Hartree  40194.80  40198.66 -39449.26      3.34      0.00      0.00
  E(xc)     -779.75   -779.54   -807.26      0.18      0.00      0.00
  Local   -83216.20 -83231.59  84196.62    -13.33      0.00      0.00
  n-local   -215.83   -215.59   -203.78     -0.04      0.00      0.00
  augment     22.10     20.53     17.35     -1.35      0.00      0.00
  Kinetic   3169.25   3170.83   3582.12     -7.09      0.00      0.00
  -------------------------------------------------------------------------------------
  Total        0.09     -0.62     -0.19     -0.62      0.00      0.00
  in kB        0.06     -0.38     -0.11     -0.38      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
    12.345681763  0.005276702  0.000000000     0.080980018  0.046707765  0.000000000
    -6.168277767 10.694308439  0.000000000    -0.000039957  0.093484637  0.000000000
     0.000000000  0.000000000 19.976073772     0.000000000  0.000000000  0.050059887

  length of vectors
    12.345682891 12.345682792 19.976073772     0.093484644  0.093484645  0.050059887


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.298E-05 -.463E-04 -.960E+03   0.436E-05 -.275E-04 0.968E+03   0.000E+00 0.000E+00 -.785E+01   0.870E-07 -.514E-07 0.280E-02
   -.175E+02 -.304E+02 -.136E+03   0.184E+02 0.318E+02 0.139E+03   -.828E+00 -.143E+01 -.258E+01   -.119E-04 -.216E-04 -.698E-04
   0.175E+02 0.304E+02 -.136E+03   -.184E+02 -.318E+02 0.139E+03   0.828E+00 0.143E+01 -.258E+01   0.119E-04 0.216E-04 -.698E-04
   -.189E+01 0.109E+01 0.169E+02   0.191E+01 -.110E+01 -.168E+02   -.369E-02 0.213E-02 -.677E-02   0.139E-03 -.829E-04 0.224E-03
   0.587E+01 0.685E+01 0.195E+02   -.587E+01 -.689E+01 -.195E+02   0.114E-01 0.306E-01 -.207E-01   0.674E-03 -.518E-03 0.290E-03
   0.113E+02 0.503E+01 0.183E+02   -.113E+02 -.504E+01 -.183E+02   0.299E-01 0.596E-02 -.553E-01   0.857E-03 -.958E-03 0.418E-04
   0.460E+01 -.106E+01 0.164E+02   -.461E+01 0.108E+01 -.164E+02   0.259E-01 -.207E-01 -.304E-02   0.454E-03 -.383E-03 -.177E-03
   -.285E+01 -.246E+01 0.149E+02   0.287E+01 0.247E+01 -.148E+02   -.865E-02 -.182E-01 -.304E-02   0.724E-04 0.172E-03 -.168E-04
   0.702E+00 0.370E+01 0.149E+02   -.699E+00 -.372E+01 -.148E+02   0.114E-01 0.166E-01 -.304E-02   -.118E-03 -.155E-03 -.204E-04
   0.282E+01 0.182E+02 0.245E+02   -.282E+01 -.183E+02 -.245E+02   0.146E-01 0.105E+00 -.124E-01   -.813E-04 -.335E-03 0.237E-03
   0.215E+02 0.226E+02 0.400E+02   -.216E+02 -.228E+02 -.400E+02   0.121E+00 0.227E+00 -.139E-01   0.710E-03 -.941E-03 0.186E-03
   0.266E+02 -.456E+01 0.271E+02   -.268E+02 0.467E+01 -.271E+02   0.243E+00 -.122E+00 -.553E-01   0.521E-03 -.712E-03 -.243E-03
   0.927E+01 -.535E+01 0.155E+02   -.928E+01 0.536E+01 -.155E+02   0.228E-01 -.132E-01 0.146E-02   0.214E-03 -.130E-03 -.260E-03
   0.322E+01 -.345E+01 0.164E+02   -.324E+01 0.345E+01 -.164E+02   0.309E-01 -.121E-01 -.304E-02   0.557E-03 -.206E-03 -.186E-03
   -.598E+01 0.132E+02 0.201E+02   0.600E+01 -.132E+02 -.201E+02   0.146E-03 0.719E-01 -.737E-02   0.139E-03 -.521E-03 -.162E-03
   -.122E+02 0.335E+02 0.463E+02   0.123E+02 -.342E+02 -.466E+02   -.861E-01 0.679E+00 0.355E+00   -.428E-03 -.175E-03 -.967E-04
   0.266E+02 -.154E+02 0.695E+02   -.276E+02 0.159E+02 -.716E+02   0.982E+00 -.567E+00 0.210E+01   0.105E-02 -.611E-03 -.969E-04
   0.172E+02 -.208E+02 0.271E+02   -.175E+02 0.209E+02 -.271E+02   0.227E+00 -.150E+00 -.553E-01   0.875E-03 -.103E-03 -.248E-03
   0.131E+01 -.123E+02 0.183E+02   -.130E+01 0.123E+02 -.183E+02   0.979E-02 -.289E-01 -.553E-01   0.126E-02 -.265E-03 0.364E-04
   -.382E+01 0.151E+01 0.144E+02   0.383E+01 -.152E+01 -.143E+02   -.166E-02 0.262E-03 -.398E-01   0.896E-03 -.493E-03 -.182E-03
   -.181E+02 0.105E+02 0.210E+02   0.182E+02 -.105E+02 -.209E+02   -.592E-01 0.342E-01 -.130E+00   0.546E-03 -.312E-03 -.361E-03
   -.351E+02 -.617E+01 0.463E+02   0.357E+02 0.642E+01 -.466E+02   -.631E+00 -.265E+00 0.355E+00   -.599E-04 0.457E-03 -.936E-04
   -.880E+01 -.299E+02 0.400E+02   0.894E+01 0.301E+02 -.400E+02   -.136E+00 -.219E+00 -.139E-01   0.117E-02 -.149E-03 0.184E-03
   -.300E+01 -.851E+01 0.195E+02   0.303E+01 0.853E+01 -.195E+02   -.208E-01 -.252E-01 -.207E-01   0.788E-03 -.326E-03 0.289E-03
   0.133E+01 -.770E+00 0.146E+02   -.132E+01 0.764E+00 -.146E+02   0.321E-02 -.185E-02 -.313E-01   0.100E-02 -.575E-03 0.651E-04
   -.322E+01 0.255E+01 0.144E+02   0.323E+01 -.256E+01 -.143E+02   -.106E-02 0.131E-02 -.398E-01   0.876E-03 -.525E-03 -.178E-03
   -.144E+02 -.140E+01 0.201E+02   0.145E+02 0.143E+01 -.201E+02   -.622E-01 -.361E-01 -.737E-02   0.523E-03 0.138E-03 -.154E-03
   -.143E+02 -.115E+02 0.245E+02   0.144E+02 0.116E+02 -.245E+02   -.840E-01 -.653E-01 -.124E-01   0.251E-03 0.233E-03 0.240E-03
   0.300E+01 0.851E+01 0.195E+02   -.303E+01 -.853E+01 -.195E+02   0.208E-01 0.252E-01 -.207E-01   -.787E-03 0.326E-03 0.289E-03
   0.143E+02 0.115E+02 0.245E+02   -.144E+02 -.116E+02 -.245E+02   0.840E-01 0.653E-01 -.124E-01   -.251E-03 -.233E-03 0.240E-03
   0.144E+02 0.140E+01 0.201E+02   -.145E+02 -.143E+01 -.201E+02   0.622E-01 0.361E-01 -.737E-02   -.523E-03 -.138E-03 -.154E-03
   0.322E+01 -.255E+01 0.144E+02   -.323E+01 0.256E+01 -.143E+02   0.106E-02 -.131E-02 -.398E-01   -.876E-03 0.525E-03 -.178E-03
   -.133E+01 0.770E+00 0.146E+02   0.132E+01 -.764E+00 -.146E+02   -.321E-02 0.185E-02 -.313E-01   -.100E-02 0.575E-03 0.651E-04
   -.131E+01 0.123E+02 0.183E+02   0.130E+01 -.123E+02 -.183E+02   -.979E-02 0.289E-01 -.553E-01   -.126E-02 0.265E-03 0.364E-04
   0.880E+01 0.299E+02 0.400E+02   -.894E+01 -.301E+02 -.400E+02   0.136E+00 0.219E+00 -.139E-01   -.117E-02 0.149E-03 0.184E-03
   0.351E+02 0.617E+01 0.463E+02   -.357E+02 -.642E+01 -.466E+02   0.631E+00 0.265E+00 0.355E+00   0.601E-04 -.458E-03 -.936E-04
   0.181E+02 -.105E+02 0.210E+02   -.182E+02 0.105E+02 -.209E+02   0.592E-01 -.342E-01 -.130E+00   -.546E-03 0.312E-03 -.361E-03
   0.382E+01 -.151E+01 0.144E+02   -.383E+01 0.152E+01 -.143E+02   0.166E-02 -.262E-03 -.398E-01   -.896E-03 0.493E-03 -.182E-03
   -.322E+01 0.345E+01 0.164E+02   0.324E+01 -.345E+01 -.164E+02   -.309E-01 0.121E-01 -.304E-02   -.557E-03 0.206E-03 -.186E-03
   -.172E+02 0.208E+02 0.271E+02   0.175E+02 -.209E+02 -.271E+02   -.227E+00 0.150E+00 -.553E-01   -.875E-03 0.103E-03 -.248E-03
   -.266E+02 0.154E+02 0.695E+02   0.276E+02 -.159E+02 -.716E+02   -.982E+00 0.567E+00 0.210E+01   -.105E-02 0.611E-03 -.969E-04
   0.122E+02 -.335E+02 0.463E+02   -.123E+02 0.342E+02 -.466E+02   0.861E-01 -.679E+00 0.355E+00   0.428E-03 0.175E-03 -.967E-04
   0.598E+01 -.132E+02 0.201E+02   -.600E+01 0.132E+02 -.201E+02   -.146E-03 -.719E-01 -.737E-02   -.140E-03 0.521E-03 -.162E-03
   -.702E+00 -.370E+01 0.149E+02   0.698E+00 0.372E+01 -.148E+02   -.114E-01 -.166E-01 -.304E-02   0.118E-03 0.155E-03 -.203E-04
   -.927E+01 0.535E+01 0.155E+02   0.928E+01 -.536E+01 -.155E+02   -.228E-01 0.132E-01 0.146E-02   -.215E-03 0.130E-03 -.260E-03
   -.266E+02 0.456E+01 0.271E+02   0.268E+02 -.467E+01 -.271E+02   -.243E+00 0.122E+00 -.553E-01   -.521E-03 0.712E-03 -.243E-03
   -.215E+02 -.226E+02 0.400E+02   0.216E+02 0.228E+02 -.400E+02   -.121E+00 -.227E+00 -.139E-01   -.710E-03 0.941E-03 0.186E-03
   -.282E+01 -.182E+02 0.245E+02   0.282E+01 0.183E+02 -.245E+02   -.146E-01 -.105E+00 -.124E-01   0.814E-04 0.335E-03 0.237E-03
   0.189E+01 -.109E+01 0.169E+02   -.191E+01 0.110E+01 -.168E+02   0.369E-02 -.213E-02 -.677E-02   -.139E-03 0.828E-04 0.224E-03
   0.285E+01 0.246E+01 0.149E+02   -.287E+01 -.247E+01 -.148E+02   0.865E-02 0.182E-01 -.304E-02   -.725E-04 -.172E-03 -.168E-04
   -.460E+01 0.106E+01 0.164E+02   0.461E+01 -.108E+01 -.164E+02   -.259E-01 0.207E-01 -.304E-02   -.454E-03 0.383E-03 -.177E-03
   -.113E+02 -.503E+01 0.183E+02   0.113E+02 0.504E+01 -.183E+02   -.299E-01 -.596E-02 -.553E-01   -.857E-03 0.958E-03 0.418E-04
   -.587E+01 -.685E+01 0.195E+02   0.587E+01 0.689E+01 -.195E+02   -.114E-01 -.306E-01 -.207E-01   -.674E-03 0.518E-03 0.290E-03
 -----------------------------------------------------------------------------------------------
   -.183E-02 0.318E-03 0.856E+01   -.209E-12 0.258E-12 -.995E-13   0.625E-16 0.590E-16 -.858E+01   0.922E-07 -.559E-07 0.129E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85444      6.06239     12.33159         0.000000      0.000000      0.017885
      2.26171      6.76781     13.65118         0.004361      0.007554      0.009453
      1.44717      5.35698     13.65118        -0.004361     -0.007554      0.009453
      0.00035     -0.00020      9.95759         0.014249     -0.008226     -0.003080
     11.11105      2.14305      9.95942         0.013477     -0.006890     -0.003948
      9.87634      4.28265      9.97084         0.014800     -0.009057     -0.000950
      8.64379      6.42201      9.96975         0.015157     -0.008636     -0.000232
     -4.93322      8.55565      9.96567         0.015071     -0.007955     -0.002426
      2.46966     -0.00026      9.96567         0.014425     -0.009074     -0.002426
      1.23497      2.13696      9.97063         0.013977     -0.011836     -0.003498
     -0.00291      4.27568      9.99840         0.013330     -0.004421      0.004735
     -1.23664      6.41684     10.00443         0.016420     -0.006733      0.003067
     -2.46444      8.55590      9.97805         0.013030     -0.007523     -0.000871
      4.93768      0.00284      9.96975         0.015057     -0.008809     -0.000232
      3.70477      2.13803      9.97749         0.015171     -0.008808      0.002002
      2.47145      4.26455     10.04205         0.013116     -0.005606      0.003162
      1.22984      6.42301     10.11481         0.013534     -0.007814     -0.011714
      0.00194      8.56212     10.00443         0.014041     -0.010854      0.003067
      7.40669      0.00510      9.97084         0.015243     -0.008289     -0.000950
      6.17298      2.14233      9.97091         0.014263     -0.006814     -0.000527
      4.94076      4.28051      9.99898         0.012479     -0.007205     -0.003032
      3.71992      6.42697     10.04205         0.011414     -0.008556      0.003162
      2.47311      8.56427      9.99840         0.010494     -0.009334      0.004735
      9.87700      0.00561      9.95942         0.012706     -0.008226     -0.003948
      8.64191      2.14365      9.96217         0.013477     -0.007781     -0.002466
      7.40859      4.28247      9.97091         0.013033     -0.008945     -0.000527
      6.17821      6.42215      9.97749         0.015213     -0.008734      0.002002
      4.94423      8.56159      9.97063         0.017239     -0.006186     -0.003498
      0.00016      1.42487      9.95942        -0.012706      0.008226     -0.003948
     -1.23535      3.56320      9.97063        -0.017239      0.006186     -0.003498
     -2.46933      5.70264      9.97749        -0.015213      0.008734      0.002002
     -3.69971      7.84232      9.97091        -0.013033      0.008945     -0.000527
     -4.93304      9.98114      9.96217        -0.013477      0.007781     -0.002466
      2.47046      1.42538      9.97084        -0.015243      0.008289     -0.000950
      1.23577      3.56052      9.99840        -0.010494      0.009334      0.004735
     -0.01105      5.69782     10.04205        -0.011414      0.008556      0.003162
     -1.23189      7.84428      9.99898        -0.012479      0.007205     -0.003032
     -2.46410      9.98246      9.97091        -0.014263      0.006814     -0.000527
      4.93947      1.42764      9.96975        -0.015057      0.008809     -0.000232
      3.70694      3.56267     10.00443        -0.014041      0.010854      0.003067
      2.47904      5.70178     10.11481        -0.013534      0.007814     -0.011714
      1.23742      7.86024     10.04205        -0.013116      0.005606      0.003162
      0.00410      9.98676      9.97749        -0.015171      0.008808      0.002002
      7.40749      1.43074      9.96567        -0.014425      0.009074     -0.002426
      6.17332      3.56889      9.97805        -0.013030      0.007523     -0.000871
      4.94551      5.70795     10.00443        -0.016420      0.006733      0.003067
      3.71179      7.84911      9.99840        -0.013330      0.004421      0.004735
      2.47391      9.98783      9.97063        -0.013977      0.011836     -0.003498
      9.87680      1.43068      9.95759        -0.014249      0.008226     -0.003080
      8.64210      3.56914      9.96567        -0.015071      0.007955     -0.002426
      7.41077      5.70806      9.96975        -0.015157      0.008636     -0.000232
      6.17822      7.84741      9.97084        -0.014800      0.009057     -0.000950
      4.94351      9.98701      9.95942        -0.013477      0.006890     -0.003948
 -----------------------------------------------------------------------------------
    total drift:                               -0.001833      0.000318     -0.016053


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




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


    WAVPRE:  VPU time    1.91: CPU time    1.91
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.20: CPU time    1.20
    ORTHCH:  VPU time  190.10: CPU time   95.32
     LOOP+:  VPU time 5049.87: CPU time 2596.15


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


    POTLOK:  VPU time    9.24: CPU time    9.14
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1401.93: CPU time  724.56
 BZINTS: Fermi energy: -3.154625;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  116.14: CPU time   58.67
    MIXING:  VPU time    0.16: CPU time    0.16
    ------------------------------------------
      LOOP:  VPU time 1527.85: CPU time  792.90

 eigenvalue-minimisations  :  4064
 total energy-change (2. order) :-0.4716444E+03  (-0.1310898E-05)
 number of electron  212.0000029 magnetization    0.0000000
 augmentation part     7.9599485 magnetization   -0.0000001

 Broyden mixing:
  rms(total) = 0.84098E-04    rms(broyden)= 0.84074E-04
  rms(prec ) = 0.10659E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34044.07635863
  -1/2 Hartree   DENC   =    -40944.15328653
  -V(xc)+E(xc)   XCENC  =       726.60467616
  PAW double counting   =      4092.76918144    -4131.15456531
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.22660844
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64439043 eV

  energy without entropy =     -471.64439043  energy(sigma->0) =     -471.64439043


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




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


    POTLOK:  VPU time    8.44: CPU time    8.46
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1390.19: CPU time  717.07
 BZINTS: Fermi energy: -3.154586;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1398.98: CPU time  725.84

 eigenvalue-minimisations  :  4104
 total energy-change (2. order) :-0.7950912E-06  (-0.1537614E-06)
 number of electron  212.0000029 magnetization    0.0000000
 augmentation part     7.9599485 magnetization   -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34044.07635863
  -1/2 Hartree   DENC   =    -40944.16277792
  -V(xc)+E(xc)   XCENC  =       726.60479221
  PAW double counting   =      4092.76765703    -4131.15302880
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.21724597
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64439123 eV

  energy without entropy =     -471.64439123  energy(sigma->0) =     -471.64439123


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




 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 -58.5433       2 -39.9847       3 -39.9847       4 -58.2440       5 -58.2485
       6 -58.2558       7 -58.2467       8 -58.2449       9 -58.2449      10 -58.2606
      11 -58.3153      12 -58.2925      13 -58.2499      14 -58.2467      15 -58.2576
      16 -58.4380      17 -58.7325      18 -58.2925      19 -58.2558      20 -58.2503
      21 -58.2775      22 -58.4380      23 -58.3154      24 -58.2485      25 -58.2435
      26 -58.2503      27 -58.2577      28 -58.2607      29 -58.2484      30 -58.2605
      31 -58.2575      32 -58.2502      33 -58.2434      34 -58.2557      35 -58.3152
      36 -58.4379      37 -58.2774      38 -58.2502      39 -58.2466      40 -58.2923
      41 -58.7324      42 -58.4380      43 -58.2575      44 -58.2448      45 -58.2498
      46 -58.2924      47 -58.3153      48 -58.2605      49 -58.2439      50 -58.2448
      51 -58.2466      52 -58.2557      53 -58.2484
 
 
 
 E-fermi :  -3.1546     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     -22.3558      1.00000
      2     -21.5362      1.00000
      3     -21.4059      1.00000
      4     -21.4059      1.00000
      5     -21.3747      1.00000
      6     -21.3648      1.00000
      7     -21.3577      1.00000
      8     -19.6462      1.00000
      9     -19.5703      1.00000
     10     -19.5662      1.00000
     11     -19.5570      1.00000
     12     -19.5392      1.00000
     13     -19.5377      1.00000
     14     -18.7285      1.00000
     15     -18.6766      1.00000
     16     -18.6731      1.00000
     17     -18.6594      1.00000
     18     -18.6436      1.00000
     19     -18.6390      1.00000
     20     -16.5884      1.00000
     21     -16.5234      1.00000
     22     -16.5226      1.00000
     23     -16.5134      1.00000
     24     -16.4855      1.00000
     25     -16.4842      1.00000
     26     -15.5572      1.00000
     27     -15.5267      1.00000
     28     -15.5255      1.00000
     29     -15.4999      1.00000
     30     -15.4929      1.00000
     31     -15.4887      1.00000
     32     -14.2052      1.00000
     33     -14.1803      1.00000
     34     -14.1694      1.00000
     35     -14.1671      1.00000
     36     -14.1564      1.00000
     37     -14.1468      1.00000
     38     -11.8840      1.00000
     39     -11.8078      1.00000
     40     -11.7932      1.00000
     41     -11.7913      1.00000
     42     -11.7883      1.00000
     43     -11.7825      1.00000
     44     -11.7073      1.00000
     45     -11.6954      1.00000
     46     -11.6690      1.00000
     47     -11.6639      1.00000
     48     -11.6566      1.00000
     49     -11.6467      1.00000
     50     -10.6749      1.00000
     51     -10.3279      1.00000
     52     -10.3215      1.00000
     53     -10.3061      1.00000
     54     -10.3020      1.00000
     55     -10.2916      1.00000
     56     -10.2775      1.00000
     57      -9.9285      1.00000
     58      -9.3723      1.00000
     59      -9.3596      1.00000
     60      -9.3001      1.00000
     61      -9.2911      1.00000
     62      -9.2845      1.00000
     63      -9.0885      1.00000
     64      -9.0635      1.00000
     65      -9.0460      1.00000
     66      -9.0297      1.00000
     67      -9.0032      1.00000
     68      -9.0011      1.00000
     69      -8.9982      1.00000
     70      -8.9958      1.00000
     71      -8.9924      1.00000
     72      -8.9681      1.00000
     73      -8.9679      1.00000
     74      -8.9525      1.00000
     75      -8.5007      1.00000
     76      -7.5185      1.00000
     77      -7.4147      1.00000
     78      -7.4067      1.00000
     79      -7.4003      1.00000
     80      -7.3813      1.00000
     81      -7.3593      1.00000
     82      -7.3404      1.00000
     83      -7.3122      1.00000
     84      -7.2692      1.00000
     85      -7.2053      1.00000
     86      -7.1798      1.00000
     87      -7.1796      1.00000
     88      -7.0756      1.00000
     89      -6.5081      1.00000
     90      -6.4623      1.00000
     91      -6.3562      1.00000
     92      -6.2941      1.00000
     93      -6.2867      1.00000
     94      -6.2852      1.00000
     95      -5.8922      1.00000
     96      -5.8894      1.00000
     97      -5.0508      1.00000
     98      -4.9393      1.00000
     99      -4.5403      1.00000
    100      -4.3419      1.00000
    101      -4.3176      1.00000
    102      -4.3165      1.00000
    103      -4.1162      1.00000
    104      -3.9140      1.00000
    105      -3.9000      1.00000
    106      -3.8364      1.00000
    107      -1.6826      0.00000
    108      -1.6672      0.00000
    109      -1.5371      0.00000
    110      -1.5334      0.00000
    111      -1.5226      0.00000
    112      -1.5092      0.00000
    113      -0.5858      0.00000
    114       0.1370      0.00000
    115       0.2040      0.00000
    116       0.3246      0.00000
    117       0.3289      0.00000
    118       0.3326      0.00000
    119       0.4946      0.00000
    120       0.5951      0.00000
    121       1.2602      0.00000
    122       1.2749      0.00000
    123       1.5264      0.00000
    124       1.7963      0.00000
    125       1.8044      0.00000
    126       1.8068      0.00000
    127       1.8103      0.00000
    128       1.9460      0.00000
    129       1.9775      0.00000
    130       2.0314      0.00000
    131       2.0452      0.00000
    132       2.0510      0.00000
    133       2.0549      0.00000
    134       2.0608      0.00000
    135       2.3079      0.00000
    136       2.3232      0.00000
    137       2.6086      0.00000
    138       2.6223      0.00000
    139       2.6446      0.00000
    140       2.7280      0.00000
    141       2.8551      0.00000
    142       3.0234      0.00000
    143       3.0657      0.00000
    144       3.0728      0.00000
    145       3.0992      0.00000
    146       3.1123      0.00000
    147       3.1139      0.00000
    148       3.2322      0.00000
    149       3.4497      0.00000
    150       3.5486      0.00000
    151       3.7835      0.00000
    152       3.9434      0.00000
    153       3.9455      0.00000
    154       3.9697      0.00000
    155       3.9728      0.00000
    156       3.9998      0.00000
    157       4.1755      0.00000
    158       4.2712      0.00000
    159       4.2855      0.00000
    160       4.2866      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3193      1.00000
      2     -21.7609      1.00000
      3     -21.5698      1.00000
      4     -21.5369      1.00000
      5     -21.2071      1.00000
      6     -21.1621      1.00000
      7     -20.9870      1.00000
      8     -20.1016      1.00000
      9     -20.0572      1.00000
     10     -19.5448      1.00000
     11     -19.5199      1.00000
     12     -19.3498      1.00000
     13     -19.0251      1.00000
     14     -18.9877      1.00000
     15     -18.9813      1.00000
     16     -18.9685      1.00000
     17     -18.2972      1.00000
     18     -18.2760      1.00000
     19     -17.9534      1.00000
     20     -17.0114      1.00000
     21     -16.9604      1.00000
     22     -16.8816      1.00000
     23     -16.8641      1.00000
     24     -16.4040      1.00000
     25     -16.3861      1.00000
     26     -15.5493      1.00000
     27     -15.5349      1.00000
     28     -15.1974      1.00000
     29     -15.1701      1.00000
     30     -15.1162      1.00000
     31     -15.0292      1.00000
     32     -15.0029      1.00000
     33     -14.6346      1.00000
     34     -14.6223      1.00000
     35     -13.6668      1.00000
     36     -13.6498      1.00000
     37     -13.1721      1.00000
     38     -12.5528      1.00000
     39     -12.5174      1.00000
     40     -12.3925      1.00000
     41     -12.3783      1.00000
     42     -12.0579      1.00000
     43     -12.0331      1.00000
     44     -11.6557      1.00000
     45     -11.6130      1.00000
     46     -11.1780      1.00000
     47     -11.1573      1.00000
     48     -10.9665      1.00000
     49     -10.9430      1.00000
     50     -10.8718      1.00000
     51     -10.8349      1.00000
     52     -10.6027      1.00000
     53     -10.0941      1.00000
     54     -10.0913      1.00000
     55     -10.0474      1.00000
     56      -9.9721      1.00000
     57      -9.6530      1.00000
     58      -9.6329      1.00000
     59      -9.5906      1.00000
     60      -9.5310      1.00000
     61      -9.5048      1.00000
     62      -9.4789      1.00000
     63      -9.2660      1.00000
     64      -9.2459      1.00000
     65      -9.2186      1.00000
     66      -9.1611      1.00000
     67      -9.0695      1.00000
     68      -9.0541      1.00000
     69      -9.0359      1.00000
     70      -8.8826      1.00000
     71      -8.8011      1.00000
     72      -8.5762      1.00000
     73      -8.5233      1.00000
     74      -8.4588      1.00000
     75      -8.0389      1.00000
     76      -7.8128      1.00000
     77      -7.8066      1.00000
     78      -7.7886      1.00000
     79      -7.7039      1.00000
     80      -7.6897      1.00000
     81      -7.3659      1.00000
     82      -7.2767      1.00000
     83      -7.2612      1.00000
     84      -7.2168      1.00000
     85      -7.1729      1.00000
     86      -7.0093      1.00000
     87      -6.9430      1.00000
     88      -6.7464      1.00000
     89      -6.6719      1.00000
     90      -6.5939      1.00000
     91      -6.5596      1.00000
     92      -6.0539      1.00000
     93      -6.0461      1.00000
     94      -6.0214      1.00000
     95      -5.9561      1.00000
     96      -5.7376      1.00000
     97      -5.1578      1.00000
     98      -4.9917      1.00000
     99      -4.7202      1.00000
    100      -4.6109      1.00000
    101      -4.4400      1.00000
    102      -4.3748      1.00000
    103      -4.1231      1.00000
    104      -3.8689      1.00000
    105      -3.8361      1.00000
    106      -3.7892      1.00000
    107      -1.7851      0.00000
    108      -1.7389      0.00000
    109      -1.3955      0.00000
    110      -1.3441      0.00000
    111      -1.2644      0.00000
    112      -1.2261      0.00000
    113      -0.7464      0.00000
    114      -0.3805      0.00000
    115      -0.2162      0.00000
    116      -0.0194      0.00000
    117       0.5911      0.00000
    118       0.7374      0.00000
    119       0.7634      0.00000
    120       1.0493      0.00000
    121       1.1412      0.00000
    122       1.2502      0.00000
    123       1.2719      0.00000
    124       1.4146      0.00000
    125       1.4782      0.00000
    126       1.5849      0.00000
    127       1.7596      0.00000
    128       1.8388      0.00000
    129       1.8975      0.00000
    130       1.9589      0.00000
    131       2.1072      0.00000
    132       2.2372      0.00000
    133       2.2480      0.00000
    134       2.2941      0.00000
    135       2.4850      0.00000
    136       2.6150      0.00000
    137       2.6362      0.00000
    138       2.7662      0.00000
    139       2.8025      0.00000
    140       2.8587      0.00000
    141       2.8708      0.00000
    142       2.8931      0.00000
    143       2.9607      0.00000
    144       3.0830      0.00000
    145       3.2834      0.00000
    146       3.3059      0.00000
    147       3.3749      0.00000
    148       3.4121      0.00000
    149       3.4656      0.00000
    150       3.5931      0.00000
    151       3.6397      0.00000
    152       3.6777      0.00000
    153       3.7095      0.00000
    154       3.9051      0.00000
    155       3.9410      0.00000
    156       3.9827      0.00000
    157       4.0845      0.00000
    158       4.2011      0.00000
    159       4.2496      0.00000
    160       4.2966      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2137      1.00000
      2     -22.0074      1.00000
      3     -21.6484      1.00000
      4     -21.6113      1.00000
      5     -20.9125      1.00000
      6     -20.8660      1.00000
      7     -20.5454      1.00000
      8     -20.5066      1.00000
      9     -20.4952      1.00000
     10     -19.9640      1.00000
     11     -19.4412      1.00000
     12     -19.4136      1.00000
     13     -19.2403      1.00000
     14     -19.2255      1.00000
     15     -18.3850      1.00000
     16     -18.3402      1.00000
     17     -17.8606      1.00000
     18     -17.8367      1.00000
     19     -17.6990      1.00000
     20     -17.6559      1.00000
     21     -17.3736      1.00000
     22     -17.3530      1.00000
     23     -17.2764      1.00000
     24     -16.3989      1.00000
     25     -16.3836      1.00000
     26     -15.8974      1.00000
     27     -15.3495      1.00000
     28     -15.3363      1.00000
     29     -15.0319      1.00000
     30     -15.0200      1.00000
     31     -14.8005      1.00000
     32     -14.7760      1.00000
     33     -14.2240      1.00000
     34     -14.1901      1.00000
     35     -13.3733      1.00000
     36     -13.3374      1.00000
     37     -13.1201      1.00000
     38     -13.1002      1.00000
     39     -12.9167      1.00000
     40     -12.9032      1.00000
     41     -12.5575      1.00000
     42     -12.5367      1.00000
     43     -12.1360      1.00000
     44     -11.5190      1.00000
     45     -11.4701      1.00000
     46     -11.2512      1.00000
     47     -11.2163      1.00000
     48     -11.0826      1.00000
     49     -10.6585      1.00000
     50     -10.5888      1.00000
     51     -10.5223      1.00000
     52     -10.2657      1.00000
     53     -10.2453      1.00000
     54     -10.1221      1.00000
     55     -10.0491      1.00000
     56     -10.0373      1.00000
     57      -9.7692      1.00000
     58      -9.7136      1.00000
     59      -9.6758      1.00000
     60      -9.6346      1.00000
     61      -9.6256      1.00000
     62      -9.5870      1.00000
     63      -9.2993      1.00000
     64      -9.2843      1.00000
     65      -9.2481      1.00000
     66      -9.0886      1.00000
     67      -8.9032      1.00000
     68      -8.8804      1.00000
     69      -8.7244      1.00000
     70      -8.5894      1.00000
     71      -8.5095      1.00000
     72      -8.3316      1.00000
     73      -8.3025      1.00000
     74      -8.2647      1.00000
     75      -8.2334      1.00000
     76      -8.1958      1.00000
     77      -8.1831      1.00000
     78      -8.1668      1.00000
     79      -8.1018      1.00000
     80      -7.6890      1.00000
     81      -7.3594      1.00000
     82      -7.3102      1.00000
     83      -7.2662      1.00000
     84      -7.1902      1.00000
     85      -7.1258      1.00000
     86      -7.0765      1.00000
     87      -6.9056      1.00000
     88      -6.8819      1.00000
     89      -6.5454      1.00000
     90      -6.4962      1.00000
     91      -6.2062      1.00000
     92      -6.0704      1.00000
     93      -5.9433      1.00000
     94      -5.7150      1.00000
     95      -5.6340      1.00000
     96      -5.4532      1.00000
     97      -5.3049      1.00000
     98      -5.2357      1.00000
     99      -5.1539      1.00000
    100      -5.1501      1.00000
    101      -4.5238      1.00000
    102      -4.4719      1.00000
    103      -4.1447      1.00000
    104      -3.8392      1.00000
    105      -3.7570      1.00000
    106      -3.6782      1.00000
    107      -1.8714      0.00000
    108      -1.8244      0.00000
    109      -1.2788      0.00000
    110      -1.0332      0.00000
    111      -1.0128      0.00000
    112      -0.7134      0.00000
    113      -0.6371      0.00000
    114      -0.5884      0.00000
    115      -0.5462      0.00000
    116      -0.2025      0.00000
    117       0.2517      0.00000
    118       0.2784      0.00000
    119       0.7603      0.00000
    120       0.9457      0.00000
    121       1.1343      0.00000
    122       1.2244      0.00000
    123       1.3204      0.00000
    124       1.4149      0.00000
    125       1.6002      0.00000
    126       1.6343      0.00000
    127       1.6987      0.00000
    128       1.8281      0.00000
    129       1.9206      0.00000
    130       2.0095      0.00000
    131       2.1045      0.00000
    132       2.3341      0.00000
    133       2.3937      0.00000
    134       2.4323      0.00000
    135       2.5392      0.00000
    136       2.6341      0.00000
    137       2.7615      0.00000
    138       2.8274      0.00000
    139       2.8343      0.00000
    140       2.8886      0.00000
    141       3.0430      0.00000
    142       3.0872      0.00000
    143       3.1875      0.00000
    144       3.2375      0.00000
    145       3.3820      0.00000
    146       3.4214      0.00000
    147       3.4851      0.00000
    148       3.5827      0.00000
    149       3.6053      0.00000
    150       3.6302      0.00000
    151       3.6510      0.00000
    152       3.7427      0.00000
    153       3.7720      0.00000
    154       3.7882      0.00000
    155       3.8108      0.00000
    156       3.8953      0.00000
    157       3.9742      0.00000
    158       4.0078      0.00000
    159       4.1767      0.00000
    160       4.2378      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2475      1.00000
      2     -21.8931      1.00000
      3     -21.8224      1.00000
      4     -21.3106      1.00000
      5     -21.2801      1.00000
      6     -20.7708      1.00000
      7     -20.7048      1.00000
      8     -20.5570      1.00000
      9     -20.0070      1.00000
     10     -19.9993      1.00000
     11     -19.6480      1.00000
     12     -19.6235      1.00000
     13     -18.9285      1.00000
     14     -18.9197      1.00000
     15     -18.5671      1.00000
     16     -18.5534      1.00000
     17     -18.3963      1.00000
     18     -17.6176      1.00000
     19     -17.5606      1.00000
     20     -17.5559      1.00000
     21     -17.5149      1.00000
     22     -17.0538      1.00000
     23     -17.0365      1.00000
     24     -16.8857      1.00000
     25     -15.9248      1.00000
     26     -15.8650      1.00000
     27     -15.5169      1.00000
     28     -15.5162      1.00000
     29     -15.2290      1.00000
     30     -14.7935      1.00000
     31     -14.7663      1.00000
     32     -14.5184      1.00000
     33     -14.4745      1.00000
     34     -14.0967      1.00000
     35     -14.0855      1.00000
     36     -13.0745      1.00000
     37     -13.0360      1.00000
     38     -12.9707      1.00000
     39     -12.9585      1.00000
     40     -12.6485      1.00000
     41     -12.6417      1.00000
     42     -12.2708      1.00000
     43     -12.2394      1.00000
     44     -11.5831      1.00000
     45     -11.5549      1.00000
     46     -11.5036      1.00000
     47     -10.9018      1.00000
     48     -10.8471      1.00000
     49     -10.6227      1.00000
     50     -10.5616      1.00000
     51     -10.4864      1.00000
     52     -10.4287      1.00000
     53     -10.4194      1.00000
     54     -10.3721      1.00000
     55     -10.3020      1.00000
     56     -10.0653      1.00000
     57      -9.8327      1.00000
     58      -9.5569      1.00000
     59      -9.4972      1.00000
     60      -9.4712      1.00000
     61      -9.3410      1.00000
     62      -9.3309      1.00000
     63      -9.3171      1.00000
     64      -9.3103      1.00000
     65      -9.2133      1.00000
     66      -9.1074      1.00000
     67      -9.0745      1.00000
     68      -9.0462      1.00000
     69      -8.8474      1.00000
     70      -8.7871      1.00000
     71      -8.7694      1.00000
     72      -8.5274      1.00000
     73      -8.4762      1.00000
     74      -8.2231      1.00000
     75      -8.1064      1.00000
     76      -8.0950      1.00000
     77      -7.8084      1.00000
     78      -7.7882      1.00000
     79      -7.7880      1.00000
     80      -7.6728      1.00000
     81      -7.6342      1.00000
     82      -7.6318      1.00000
     83      -7.4011      1.00000
     84      -7.3250      1.00000
     85      -7.2006      1.00000
     86      -6.8374      1.00000
     87      -6.8256      1.00000
     88      -6.6623      1.00000
     89      -6.5380      1.00000
     90      -6.3500      1.00000
     91      -6.3070      1.00000
     92      -6.1815      1.00000
     93      -6.1414      1.00000
     94      -5.9788      1.00000
     95      -5.5741      1.00000
     96      -5.4275      1.00000
     97      -5.2604      1.00000
     98      -5.2514      1.00000
     99      -5.1508      1.00000
    100      -4.6943      1.00000
    101      -4.6654      1.00000
    102      -4.3496      1.00000
    103      -4.3167      1.00000
    104      -3.9658      1.00000
    105      -3.8328      1.00000
    106      -3.3871      1.00000
    107      -2.2208      0.00000
    108      -1.3767      0.00000
    109      -1.2855      0.00000
    110      -1.1739      0.00000
    111      -1.0785      0.00000
    112      -0.8951      0.00000
    113      -0.7683      0.00000
    114      -0.7580      0.00000
    115      -0.2182      0.00000
    116       0.1169      0.00000
    117       0.2674      0.00000
    118       0.3460      0.00000
    119       0.7336      0.00000
    120       0.9025      0.00000
    121       0.9705      0.00000
    122       1.0954      0.00000
    123       1.2080      0.00000
    124       1.5290      0.00000
    125       1.5639      0.00000
    126       1.7164      0.00000
    127       1.8371      0.00000
    128       1.8603      0.00000
    129       1.9669      0.00000
    130       2.0006      0.00000
    131       2.1575      0.00000
    132       2.2642      0.00000
    133       2.4545      0.00000
    134       2.4799      0.00000
    135       2.5061      0.00000
    136       2.6688      0.00000
    137       2.6876      0.00000
    138       2.7312      0.00000
    139       2.7472      0.00000
    140       2.8903      0.00000
    141       3.0218      0.00000
    142       3.0807      0.00000
    143       3.2011      0.00000
    144       3.2627      0.00000
    145       3.2628      0.00000
    146       3.2662      0.00000
    147       3.3680      0.00000
    148       3.4780      0.00000
    149       3.5316      0.00000
    150       3.6957      0.00000
    151       3.7593      0.00000
    152       3.7691      0.00000
    153       3.8323      0.00000
    154       3.8790      0.00000
    155       3.9423      0.00000
    156       3.9883      0.00000
    157       4.0268      0.00000
    158       4.0574      0.00000
    159       4.0595      0.00000
    160       4.1121      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1415      1.00000
      2     -22.0463      1.00000
      3     -21.8859      1.00000
      4     -21.3337      1.00000
      5     -20.9815      1.00000
      6     -20.9428      1.00000
      7     -20.4330      1.00000
      8     -20.3901      1.00000
      9     -20.2268      1.00000
     10     -20.2053      1.00000
     11     -19.8878      1.00000
     12     -19.8201      1.00000
     13     -18.8133      1.00000
     14     -18.7420      1.00000
     15     -18.2911      1.00000
     16     -18.2370      1.00000
     17     -18.0864      1.00000
     18     -18.0641      1.00000
     19     -17.7627      1.00000
     20     -17.7192      1.00000
     21     -17.1910      1.00000
     22     -17.1652      1.00000
     23     -17.1019      1.00000
     24     -17.0616      1.00000
     25     -16.0384      1.00000
     26     -15.8207      1.00000
     27     -15.7992      1.00000
     28     -15.7619      1.00000
     29     -15.1751      1.00000
     30     -14.4887      1.00000
     31     -14.4565      1.00000
     32     -14.2188      1.00000
     33     -13.8988      1.00000
     34     -13.8899      1.00000
     35     -13.7579      1.00000
     36     -13.7344      1.00000
     37     -13.5518      1.00000
     38     -13.5018      1.00000
     39     -13.3000      1.00000
     40     -12.5647      1.00000
     41     -12.1246      1.00000
     42     -12.0646      1.00000
     43     -12.0079      1.00000
     44     -11.9493      1.00000
     45     -11.6141      1.00000
     46     -11.5908      1.00000
     47     -11.0829      1.00000
     48     -11.0500      1.00000
     49     -10.7504      1.00000
     50     -10.6596      1.00000
     51     -10.5268      1.00000
     52     -10.1563      1.00000
     53     -10.1350      1.00000
     54     -10.0959      1.00000
     55      -9.9565      1.00000
     56      -9.9478      1.00000
     57      -9.9160      1.00000
     58      -9.7404      1.00000
     59      -9.7331      1.00000
     60      -9.6978      1.00000
     61      -9.6921      1.00000
     62      -9.4281      1.00000
     63      -9.3591      1.00000
     64      -9.0864      1.00000
     65      -9.0127      1.00000
     66      -8.9718      1.00000
     67      -8.8863      1.00000
     68      -8.8112      1.00000
     69      -8.6597      1.00000
     70      -8.6389      1.00000
     71      -8.5779      1.00000
     72      -8.4744      1.00000
     73      -8.4629      1.00000
     74      -8.4003      1.00000
     75      -8.3925      1.00000
     76      -8.1832      1.00000
     77      -8.1145      1.00000
     78      -7.9774      1.00000
     79      -7.9159      1.00000
     80      -7.8484      1.00000
     81      -7.6174      1.00000
     82      -7.5290      1.00000
     83      -7.4667      1.00000
     84      -7.2572      1.00000
     85      -6.9375      1.00000
     86      -6.8608      1.00000
     87      -6.8135      1.00000
     88      -6.5744      1.00000
     89      -6.4646      1.00000
     90      -6.4169      1.00000
     91      -6.3556      1.00000
     92      -6.0530      1.00000
     93      -5.8787      1.00000
     94      -5.7523      1.00000
     95      -5.7229      1.00000
     96      -5.4774      1.00000
     97      -5.3472      1.00000
     98      -5.1809      1.00000
     99      -5.1577      1.00000
    100      -5.1534      1.00000
    101      -4.7070      1.00000
    102      -4.4422      1.00000
    103      -4.2565      1.00000
    104      -3.9976      1.00000
    105      -3.8317      1.00000
    106      -3.1548      1.00000
    107      -2.4634      0.00000
    108      -1.3805      0.00000
    109      -1.2397      0.00000
    110      -1.1470      0.00000
    111      -1.1134      0.00000
    112      -0.5644      0.00000
    113      -0.4344      0.00000
    114      -0.4299      0.00000
    115      -0.3075      0.00000
    116      -0.1904      0.00000
    117       0.0609      0.00000
    118       0.1163      0.00000
    119       0.5416      0.00000
    120       0.6838      0.00000
    121       0.8718      0.00000
    122       0.9675      0.00000
    123       1.1106      0.00000
    124       1.4969      0.00000
    125       1.6642      0.00000
    126       1.7977      0.00000
    127       1.8773      0.00000
    128       2.0914      0.00000
    129       2.1343      0.00000
    130       2.2009      0.00000
    131       2.2180      0.00000
    132       2.3404      0.00000
    133       2.3666      0.00000
    134       2.4880      0.00000
    135       2.5838      0.00000
    136       2.6678      0.00000
    137       2.8771      0.00000
    138       2.9360      0.00000
    139       2.9668      0.00000
    140       2.9905      0.00000
    141       3.0481      0.00000
    142       3.1497      0.00000
    143       3.1875      0.00000
    144       3.2550      0.00000
    145       3.2900      0.00000
    146       3.3308      0.00000
    147       3.3520      0.00000
    148       3.3795      0.00000
    149       3.4023      0.00000
    150       3.4951      0.00000
    151       3.5537      0.00000
    152       3.6337      0.00000
    153       3.6979      0.00000
    154       3.7082      0.00000
    155       3.7276      0.00000
    156       3.9200      0.00000
    157       3.9437      0.00000
    158       4.0592      0.00000
    159       4.0892      0.00000
    160       4.2004      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2472      1.00000
      2     -21.8946      1.00000
      3     -21.8209      1.00000
      4     -21.3161      1.00000
      5     -21.2771      1.00000
      6     -20.7706      1.00000
      7     -20.7015      1.00000
      8     -20.5533      1.00000
      9     -20.0231      1.00000
     10     -19.9904      1.00000
     11     -19.6497      1.00000
     12     -19.6181      1.00000
     13     -18.9436      1.00000
     14     -18.9080      1.00000
     15     -18.5851      1.00000
     16     -18.5473      1.00000
     17     -18.3901      1.00000
     18     -17.6016      1.00000
     19     -17.5669      1.00000
     20     -17.5398      1.00000
     21     -17.5062      1.00000
     22     -17.0755      1.00000
     23     -17.0270      1.00000
     24     -16.9022      1.00000
     25     -15.9474      1.00000
     26     -15.8515      1.00000
     27     -15.5319      1.00000
     28     -15.5058      1.00000
     29     -15.2083      1.00000
     30     -14.8138      1.00000
     31     -14.7611      1.00000
     32     -14.5073      1.00000
     33     -14.4655      1.00000
     34     -14.0993      1.00000
     35     -14.0938      1.00000
     36     -13.1049      1.00000
     37     -13.0277      1.00000
     38     -12.9534      1.00000
     39     -12.9478      1.00000
     40     -12.6541      1.00000
     41     -12.6249      1.00000
     42     -12.2746      1.00000
     43     -12.2486      1.00000
     44     -11.5763      1.00000
     45     -11.5550      1.00000
     46     -11.5009      1.00000
     47     -10.8774      1.00000
     48     -10.8728      1.00000
     49     -10.6829      1.00000
     50     -10.5241      1.00000
     51     -10.5187      1.00000
     52     -10.4387      1.00000
     53     -10.4142      1.00000
     54     -10.3690      1.00000
     55     -10.2832      1.00000
     56     -10.0607      1.00000
     57      -9.8314      1.00000
     58      -9.5553      1.00000
     59      -9.4797      1.00000
     60      -9.4435      1.00000
     61      -9.3648      1.00000
     62      -9.3339      1.00000
     63      -9.3032      1.00000
     64      -9.2997      1.00000
     65      -9.2063      1.00000
     66      -9.1018      1.00000
     67      -9.0708      1.00000
     68      -9.0502      1.00000
     69      -8.8510      1.00000
     70      -8.8057      1.00000
     71      -8.7743      1.00000
     72      -8.5259      1.00000
     73      -8.4972      1.00000
     74      -8.2273      1.00000
     75      -8.1353      1.00000
     76      -8.0904      1.00000
     77      -7.8046      1.00000
     78      -7.7642      1.00000
     79      -7.7383      1.00000
     80      -7.7038      1.00000
     81      -7.6324      1.00000
     82      -7.6245      1.00000
     83      -7.3883      1.00000
     84      -7.3429      1.00000
     85      -7.2204      1.00000
     86      -6.8434      1.00000
     87      -6.8229      1.00000
     88      -6.6396      1.00000
     89      -6.5303      1.00000
     90      -6.3377      1.00000
     91      -6.2743      1.00000
     92      -6.1963      1.00000
     93      -6.1346      1.00000
     94      -6.0207      1.00000
     95      -5.6370      1.00000
     96      -5.5095      1.00000
     97      -5.2963      1.00000
     98      -5.1549      1.00000
     99      -5.0415      1.00000
    100      -4.7262      1.00000
    101      -4.6869      1.00000
    102      -4.3695      1.00000
    103      -4.1858      1.00000
    104      -4.0108      1.00000
    105      -3.8311      1.00000
    106      -3.4848      1.00000
    107      -2.1636      0.00000
    108      -1.3848      0.00000
    109      -1.2351      0.00000
    110      -1.1841      0.00000
    111      -1.0155      0.00000
    112      -0.9530      0.00000
    113      -0.7968      0.00000
    114      -0.7513      0.00000
    115      -0.3661      0.00000
    116       0.2437      0.00000
    117       0.2753      0.00000
    118       0.3642      0.00000
    119       0.7002      0.00000
    120       0.8704      0.00000
    121       0.9654      0.00000
    122       1.1277      0.00000
    123       1.2341      0.00000
    124       1.4574      0.00000
    125       1.5545      0.00000
    126       1.7820      0.00000
    127       1.8528      0.00000
    128       1.8847      0.00000
    129       1.9846      0.00000
    130       2.0305      0.00000
    131       2.1989      0.00000
    132       2.2124      0.00000
    133       2.4032      0.00000
    134       2.4502      0.00000
    135       2.5627      0.00000
    136       2.6571      0.00000
    137       2.6841      0.00000
    138       2.7276      0.00000
    139       2.7694      0.00000
    140       2.8573      0.00000
    141       2.9668      0.00000
    142       3.0824      0.00000
    143       3.1921      0.00000
    144       3.2425      0.00000
    145       3.2585      0.00000
    146       3.2984      0.00000
    147       3.3349      0.00000
    148       3.4830      0.00000
    149       3.5060      0.00000
    150       3.7073      0.00000
    151       3.7220      0.00000
    152       3.7711      0.00000
    153       3.8599      0.00000
    154       3.8767      0.00000
    155       3.9003      0.00000
    156       3.9985      0.00000
    157       4.0029      0.00000
    158       4.0552      0.00000
    159       4.0744      0.00000
    160       4.1263      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3192      1.00000
      2     -21.7607      1.00000
      3     -21.5675      1.00000
      4     -21.5406      1.00000
      5     -21.2046      1.00000
      6     -21.1658      1.00000
      7     -20.9842      1.00000
      8     -20.0975      1.00000
      9     -20.0587      1.00000
     10     -19.5481      1.00000
     11     -19.5277      1.00000
     12     -19.3421      1.00000
     13     -19.0275      1.00000
     14     -18.9887      1.00000
     15     -18.9774      1.00000
     16     -18.9705      1.00000
     17     -18.2968      1.00000
     18     -18.2831      1.00000
     19     -17.9421      1.00000
     20     -16.9973      1.00000
     21     -16.9560      1.00000
     22     -16.8825      1.00000
     23     -16.8699      1.00000
     24     -16.4197      1.00000
     25     -16.3969      1.00000
     26     -15.5429      1.00000
     27     -15.5396      1.00000
     28     -15.1707      1.00000
     29     -15.1694      1.00000
     30     -15.1270      1.00000
     31     -15.0333      1.00000
     32     -14.9981      1.00000
     33     -14.6358      1.00000
     34     -14.6289      1.00000
     35     -13.6645      1.00000
     36     -13.6545      1.00000
     37     -13.1652      1.00000
     38     -12.5710      1.00000
     39     -12.5109      1.00000
     40     -12.3825      1.00000
     41     -12.3822      1.00000
     42     -12.0353      1.00000
     43     -12.0312      1.00000
     44     -11.6616      1.00000
     45     -11.6211      1.00000
     46     -11.2084      1.00000
     47     -11.1590      1.00000
     48     -10.9515      1.00000
     49     -10.9376      1.00000
     50     -10.8639      1.00000
     51     -10.8314      1.00000
     52     -10.6258      1.00000
     53     -10.1452      1.00000
     54     -10.0819      1.00000
     55     -10.0200      1.00000
     56      -9.9439      1.00000
     57      -9.6298      1.00000
     58      -9.6272      1.00000
     59      -9.6020      1.00000
     60      -9.5434      1.00000
     61      -9.5065      1.00000
     62      -9.4800      1.00000
     63      -9.2711      1.00000
     64      -9.2299      1.00000
     65      -9.2036      1.00000
     66      -9.1889      1.00000
     67      -9.0621      1.00000
     68      -9.0423      1.00000
     69      -9.0389      1.00000
     70      -8.8758      1.00000
     71      -8.8181      1.00000
     72      -8.5385      1.00000
     73      -8.5365      1.00000
     74      -8.5039      1.00000
     75      -8.0235      1.00000
     76      -7.8377      1.00000
     77      -7.7999      1.00000
     78      -7.7759      1.00000
     79      -7.6985      1.00000
     80      -7.6800      1.00000
     81      -7.4151      1.00000
     82      -7.2843      1.00000
     83      -7.2470      1.00000
     84      -7.2040      1.00000
     85      -7.0805      1.00000
     86      -7.0762      1.00000
     87      -6.9459      1.00000
     88      -6.7110      1.00000
     89      -6.6752      1.00000
     90      -6.6299      1.00000
     91      -6.5560      1.00000
     92      -6.0683      1.00000
     93      -6.0281      1.00000
     94      -6.0059      1.00000
     95      -5.9408      1.00000
     96      -5.7989      1.00000
     97      -5.1828      1.00000
     98      -4.8963      1.00000
     99      -4.7946      1.00000
    100      -4.6090      1.00000
    101      -4.5132      1.00000
    102      -4.1421      1.00000
    103      -4.0913      1.00000
    104      -3.9321      1.00000
    105      -3.9181      1.00000
    106      -3.8301      1.00000
    107      -1.7514      0.00000
    108      -1.6952      0.00000
    109      -1.4116      0.00000
    110      -1.3703      0.00000
    111      -1.2650      0.00000
    112      -1.2341      0.00000
    113      -0.6246      0.00000
    114      -0.5943      0.00000
    115      -0.1923      0.00000
    116       0.0413      0.00000
    117       0.5835      0.00000
    118       0.7388      0.00000
    119       0.8482      0.00000
    120       0.9295      0.00000
    121       1.1687      0.00000
    122       1.2123      0.00000
    123       1.2495      0.00000
    124       1.4172      0.00000
    125       1.6010      0.00000
    126       1.6385      0.00000
    127       1.7035      0.00000
    128       1.8088      0.00000
    129       1.9226      0.00000
    130       1.9391      0.00000
    131       2.1489      0.00000
    132       2.1715      0.00000
    133       2.2597      0.00000
    134       2.2969      0.00000
    135       2.5468      0.00000
    136       2.5594      0.00000
    137       2.6402      0.00000
    138       2.7601      0.00000
    139       2.8103      0.00000
    140       2.8502      0.00000
    141       2.8939      0.00000
    142       2.9469      0.00000
    143       3.0175      0.00000
    144       3.0244      0.00000
    145       3.0828      0.00000
    146       3.3150      0.00000
    147       3.3760      0.00000
    148       3.4221      0.00000
    149       3.4825      0.00000
    150       3.5977      0.00000
    151       3.6576      0.00000
    152       3.6673      0.00000
    153       3.6832      0.00000
    154       3.9017      0.00000
    155       3.9744      0.00000
    156       4.0252      0.00000
    157       4.0731      0.00000
    158       4.2448      0.00000
    159       4.2562      0.00000
    160       4.2691      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1404      1.00000
      2     -22.0474      1.00000
      3     -21.8858      1.00000
      4     -21.3358      1.00000
      5     -20.9759      1.00000
      6     -20.9463      1.00000
      7     -20.4277      1.00000
      8     -20.3955      1.00000
      9     -20.2141      1.00000
     10     -20.2120      1.00000
     11     -19.8889      1.00000
     12     -19.8251      1.00000
     13     -18.8198      1.00000
     14     -18.7489      1.00000
     15     -18.2628      1.00000
     16     -18.2490      1.00000
     17     -18.0801      1.00000
     18     -18.0733      1.00000
     19     -17.7434      1.00000
     20     -17.7278      1.00000
     21     -17.1967      1.00000
     22     -17.1728      1.00000
     23     -17.0829      1.00000
     24     -17.0715      1.00000
     25     -16.0517      1.00000
     26     -15.8101      1.00000
     27     -15.8005      1.00000
     28     -15.7818      1.00000
     29     -15.1553      1.00000
     30     -14.4892      1.00000
     31     -14.4677      1.00000
     32     -14.2013      1.00000
     33     -13.9127      1.00000
     34     -13.8824      1.00000
     35     -13.7576      1.00000
     36     -13.7374      1.00000
     37     -13.5365      1.00000
     38     -13.5106      1.00000
     39     -13.3000      1.00000
     40     -12.5748      1.00000
     41     -12.1027      1.00000
     42     -12.0787      1.00000
     43     -12.0015      1.00000
     44     -11.9541      1.00000
     45     -11.5995      1.00000
     46     -11.5914      1.00000
     47     -11.0886      1.00000
     48     -11.0650      1.00000
     49     -10.7393      1.00000
     50     -10.6720      1.00000
     51     -10.5613      1.00000
     52     -10.1347      1.00000
     53     -10.1302      1.00000
     54     -10.0999      1.00000
     55      -9.9642      1.00000
     56      -9.9217      1.00000
     57      -9.9198      1.00000
     58      -9.7488      1.00000
     59      -9.7239      1.00000
     60      -9.6963      1.00000
     61      -9.6960      1.00000
     62      -9.4021      1.00000
     63      -9.3985      1.00000
     64      -9.0686      1.00000
     65      -8.9799      1.00000
     66      -8.9777      1.00000
     67      -8.9089      1.00000
     68      -8.8117      1.00000
     69      -8.6459      1.00000
     70      -8.6286      1.00000
     71      -8.5478      1.00000
     72      -8.5099      1.00000
     73      -8.4907      1.00000
     74      -8.3934      1.00000
     75      -8.3816      1.00000
     76      -8.2097      1.00000
     77      -8.1021      1.00000
     78      -8.0057      1.00000
     79      -7.9002      1.00000
     80      -7.8405      1.00000
     81      -7.6224      1.00000
     82      -7.5340      1.00000
     83      -7.4621      1.00000
     84      -7.2542      1.00000
     85      -6.9374      1.00000
     86      -6.8633      1.00000
     87      -6.8042      1.00000
     88      -6.4800      1.00000
     89      -6.4741      1.00000
     90      -6.4151      1.00000
     91      -6.3617      1.00000
     92      -6.1920      1.00000
     93      -5.8570      1.00000
     94      -5.7369      1.00000
     95      -5.7109      1.00000
     96      -5.5233      1.00000
     97      -5.3296      1.00000
     98      -5.1698      1.00000
     99      -5.1670      1.00000
    100      -5.1345      1.00000
    101      -4.6980      1.00000
    102      -4.3500      1.00000
    103      -4.2817      1.00000
    104      -4.0314      1.00000
    105      -3.8326      1.00000
    106      -3.2349      1.00000
    107      -2.4032      0.00000
    108      -1.3471      0.00000
    109      -1.2402      0.00000
    110      -1.1529      0.00000
    111      -1.1094      0.00000
    112      -0.5841      0.00000
    113      -0.5213      0.00000
    114      -0.4334      0.00000
    115      -0.2770      0.00000
    116      -0.0696      0.00000
    117      -0.0100      0.00000
    118       0.0623      0.00000
    119       0.5822      0.00000
    120       0.7097      0.00000
    121       0.8108      0.00000
    122       0.9432      0.00000
    123       1.1817      0.00000
    124       1.5110      0.00000
    125       1.6200      0.00000
    126       1.8535      0.00000
    127       2.0056      0.00000
    128       2.0496      0.00000
    129       2.1144      0.00000
    130       2.1640      0.00000
    131       2.2561      0.00000
    132       2.2846      0.00000
    133       2.3457      0.00000
    134       2.4670      0.00000
    135       2.6124      0.00000
    136       2.7012      0.00000
    137       2.8205      0.00000
    138       2.9191      0.00000
    139       2.9450      0.00000
    140       3.0320      0.00000
    141       3.0459      0.00000
    142       3.1554      0.00000
    143       3.1643      0.00000
    144       3.2218      0.00000
    145       3.2970      0.00000
    146       3.3103      0.00000
    147       3.3529      0.00000
    148       3.3721      0.00000
    149       3.4169      0.00000
    150       3.4506      0.00000
    151       3.5513      0.00000
    152       3.6135      0.00000
    153       3.7039      0.00000
    154       3.7356      0.00000
    155       3.8465      0.00000
    156       3.9029      0.00000
    157       3.9301      0.00000
    158       3.9572      0.00000
    159       4.1435      0.00000
    160       4.1782      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2131      1.00000
      2     -22.0077      1.00000
      3     -21.6464      1.00000
      4     -21.6153      1.00000
      5     -20.9094      1.00000
      6     -20.8688      1.00000
      7     -20.5384      1.00000
      8     -20.5050      1.00000
      9     -20.4992      1.00000
     10     -19.9603      1.00000
     11     -19.4429      1.00000
     12     -19.4205      1.00000
     13     -19.2417      1.00000
     14     -19.2344      1.00000
     15     -18.3738      1.00000
     16     -18.3388      1.00000
     17     -17.8597      1.00000
     18     -17.8433      1.00000
     19     -17.6884      1.00000
     20     -17.6526      1.00000
     21     -17.3729      1.00000
     22     -17.3584      1.00000
     23     -17.2621      1.00000
     24     -16.4178      1.00000
     25     -16.3942      1.00000
     26     -15.9018      1.00000
     27     -15.3464      1.00000
     28     -15.3415      1.00000
     29     -15.0339      1.00000
     30     -15.0242      1.00000
     31     -14.7732      1.00000
     32     -14.7712      1.00000
     33     -14.2345      1.00000
     34     -14.1836      1.00000
     35     -13.3848      1.00000
     36     -13.3301      1.00000
     37     -13.1124      1.00000
     38     -13.1043      1.00000
     39     -12.9161      1.00000
     40     -12.9101      1.00000
     41     -12.5461      1.00000
     42     -12.5384      1.00000
     43     -12.1273      1.00000
     44     -11.5201      1.00000
     45     -11.4755      1.00000
     46     -11.2502      1.00000
     47     -11.2184      1.00000
     48     -11.0801      1.00000
     49     -10.7090      1.00000
     50     -10.5988      1.00000
     51     -10.5110      1.00000
     52     -10.2465      1.00000
     53     -10.2427      1.00000
     54     -10.1222      1.00000
     55     -10.0579      1.00000
     56     -10.0416      1.00000
     57      -9.7846      1.00000
     58      -9.6833      1.00000
     59      -9.6705      1.00000
     60      -9.6334      1.00000
     61      -9.6235      1.00000
     62      -9.5857      1.00000
     63      -9.2922      1.00000
     64      -9.2797      1.00000
     65      -9.2629      1.00000
     66      -9.0659      1.00000
     67      -8.8911      1.00000
     68      -8.8801      1.00000
     69      -8.7184      1.00000
     70      -8.5821      1.00000
     71      -8.5353      1.00000
     72      -8.3502      1.00000
     73      -8.3054      1.00000
     74      -8.2434      1.00000
     75      -8.2353      1.00000
     76      -8.1972      1.00000
     77      -8.1838      1.00000
     78      -8.1745      1.00000
     79      -8.1081      1.00000
     80      -7.6883      1.00000
     81      -7.4194      1.00000
     82      -7.3398      1.00000
     83      -7.2539      1.00000
     84      -7.1620      1.00000
     85      -7.1110      1.00000
     86      -7.0054      1.00000
     87      -6.9053      1.00000
     88      -6.8486      1.00000
     89      -6.5499      1.00000
     90      -6.4910      1.00000
     91      -6.2140      1.00000
     92      -6.2094      1.00000
     93      -5.8930      1.00000
     94      -5.6747      1.00000
     95      -5.6077      1.00000
     96      -5.5810      1.00000
     97      -5.2515      1.00000
     98      -5.2302      1.00000
     99      -5.1641      1.00000
    100      -5.1344      1.00000
    101      -4.6015      1.00000
    102      -4.2514      1.00000
    103      -4.0480      1.00000
    104      -3.8867      1.00000
    105      -3.8448      1.00000
    106      -3.8025      1.00000
    107      -1.8065      0.00000
    108      -1.7791      0.00000
    109      -1.2272      0.00000
    110      -1.1721      0.00000
    111      -0.9753      0.00000
    112      -0.7362      0.00000
    113      -0.6495      0.00000
    114      -0.5950      0.00000
    115      -0.5480      0.00000
    116      -0.1525      0.00000
    117       0.1774      0.00000
    118       0.2896      0.00000
    119       0.7058      0.00000
    120       0.9489      0.00000
    121       1.1671      0.00000
    122       1.2765      0.00000
    123       1.3441      0.00000
    124       1.5127      0.00000
    125       1.6064      0.00000
    126       1.6268      0.00000
    127       1.6907      0.00000
    128       1.7762      0.00000
    129       1.8569      0.00000
    130       2.0814      0.00000
    131       2.1707      0.00000
    132       2.3180      0.00000
    133       2.3931      0.00000
    134       2.4256      0.00000
    135       2.5589      0.00000
    136       2.6231      0.00000
    137       2.6862      0.00000
    138       2.7514      0.00000
    139       2.8206      0.00000
    140       2.9114      0.00000
    141       3.0606      0.00000
    142       3.0628      0.00000
    143       3.1807      0.00000
    144       3.2800      0.00000
    145       3.3754      0.00000
    146       3.4126      0.00000
    147       3.4632      0.00000
    148       3.5493      0.00000
    149       3.5688      0.00000
    150       3.6294      0.00000
    151       3.6612      0.00000
    152       3.7005      0.00000
    153       3.7890      0.00000
    154       3.8051      0.00000
    155       3.8236      0.00000
    156       3.8945      0.00000
    157       3.9010      0.00000
    158       3.9784      0.00000
    159       4.1927      0.00000
    160       4.2351      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3558      1.00000
      2     -21.5362      1.00000
      3     -21.4059      1.00000
      4     -21.4059      1.00000
      5     -21.3747      1.00000
      6     -21.3648      1.00000
      7     -21.3577      1.00000
      8     -19.6462      1.00000
      9     -19.5703      1.00000
     10     -19.5662      1.00000
     11     -19.5570      1.00000
     12     -19.5392      1.00000
     13     -19.5377      1.00000
     14     -18.7285      1.00000
     15     -18.6766      1.00000
     16     -18.6731      1.00000
     17     -18.6594      1.00000
     18     -18.6436      1.00000
     19     -18.6390      1.00000
     20     -16.5884      1.00000
     21     -16.5234      1.00000
     22     -16.5226      1.00000
     23     -16.5134      1.00000
     24     -16.4855      1.00000
     25     -16.4842      1.00000
     26     -15.5572      1.00000
     27     -15.5267      1.00000
     28     -15.5255      1.00000
     29     -15.4999      1.00000
     30     -15.4929      1.00000
     31     -15.4887      1.00000
     32     -14.2052      1.00000
     33     -14.1803      1.00000
     34     -14.1694      1.00000
     35     -14.1671      1.00000
     36     -14.1564      1.00000
     37     -14.1468      1.00000
     38     -11.8840      1.00000
     39     -11.8078      1.00000
     40     -11.7932      1.00000
     41     -11.7913      1.00000
     42     -11.7883      1.00000
     43     -11.7825      1.00000
     44     -11.7073      1.00000
     45     -11.6954      1.00000
     46     -11.6690      1.00000
     47     -11.6639      1.00000
     48     -11.6566      1.00000
     49     -11.6467      1.00000
     50     -10.6749      1.00000
     51     -10.3279      1.00000
     52     -10.3215      1.00000
     53     -10.3061      1.00000
     54     -10.3020      1.00000
     55     -10.2916      1.00000
     56     -10.2775      1.00000
     57      -9.9285      1.00000
     58      -9.3723      1.00000
     59      -9.3596      1.00000
     60      -9.3001      1.00000
     61      -9.2911      1.00000
     62      -9.2845      1.00000
     63      -9.0885      1.00000
     64      -9.0635      1.00000
     65      -9.0460      1.00000
     66      -9.0297      1.00000
     67      -9.0032      1.00000
     68      -9.0011      1.00000
     69      -8.9982      1.00000
     70      -8.9958      1.00000
     71      -8.9924      1.00000
     72      -8.9681      1.00000
     73      -8.9679      1.00000
     74      -8.9525      1.00000
     75      -8.5007      1.00000
     76      -7.5185      1.00000
     77      -7.4147      1.00000
     78      -7.4067      1.00000
     79      -7.4003      1.00000
     80      -7.3813      1.00000
     81      -7.3593      1.00000
     82      -7.3404      1.00000
     83      -7.3122      1.00000
     84      -7.2692      1.00000
     85      -7.2053      1.00000
     86      -7.1798      1.00000
     87      -7.1796      1.00000
     88      -7.0756      1.00000
     89      -6.5081      1.00000
     90      -6.4623      1.00000
     91      -6.3562      1.00000
     92      -6.2941      1.00000
     93      -6.2867      1.00000
     94      -6.2852      1.00000
     95      -5.8922      1.00000
     96      -5.8894      1.00000
     97      -5.0508      1.00000
     98      -4.9393      1.00000
     99      -4.5403      1.00000
    100      -4.3419      1.00000
    101      -4.3176      1.00000
    102      -4.3165      1.00000
    103      -4.1162      1.00000
    104      -3.9140      1.00000
    105      -3.9000      1.00000
    106      -3.8364      1.00000
    107      -1.6826      0.00000
    108      -1.6672      0.00000
    109      -1.5371      0.00000
    110      -1.5334      0.00000
    111      -1.5226      0.00000
    112      -1.5092      0.00000
    113      -0.5858      0.00000
    114       0.1370      0.00000
    115       0.2040      0.00000
    116       0.3246      0.00000
    117       0.3289      0.00000
    118       0.3326      0.00000
    119       0.4946      0.00000
    120       0.5951      0.00000
    121       1.2602      0.00000
    122       1.2749      0.00000
    123       1.5264      0.00000
    124       1.7963      0.00000
    125       1.8044      0.00000
    126       1.8068      0.00000
    127       1.8103      0.00000
    128       1.9460      0.00000
    129       1.9775      0.00000
    130       2.0314      0.00000
    131       2.0452      0.00000
    132       2.0510      0.00000
    133       2.0549      0.00000
    134       2.0608      0.00000
    135       2.3079      0.00000
    136       2.3232      0.00000
    137       2.6086      0.00000
    138       2.6223      0.00000
    139       2.6446      0.00000
    140       2.7280      0.00000
    141       2.8551      0.00000
    142       3.0234      0.00000
    143       3.0656      0.00000
    144       3.0728      0.00000
    145       3.0992      0.00000
    146       3.1123      0.00000
    147       3.1139      0.00000
    148       3.2322      0.00000
    149       3.4497      0.00000
    150       3.5486      0.00000
    151       3.7835      0.00000
    152       3.9434      0.00000
    153       3.9455      0.00000
    154       3.9697      0.00000
    155       3.9728      0.00000
    156       3.9998      0.00000
    157       4.1755      0.00000
    158       4.2712      0.00000
    159       4.2855      0.00000
    160       4.2866      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3193      1.00000
      2     -21.7609      1.00000
      3     -21.5698      1.00000
      4     -21.5369      1.00000
      5     -21.2071      1.00000
      6     -21.1621      1.00000
      7     -20.9870      1.00000
      8     -20.1016      1.00000
      9     -20.0572      1.00000
     10     -19.5448      1.00000
     11     -19.5199      1.00000
     12     -19.3498      1.00000
     13     -19.0251      1.00000
     14     -18.9877      1.00000
     15     -18.9813      1.00000
     16     -18.9685      1.00000
     17     -18.2972      1.00000
     18     -18.2760      1.00000
     19     -17.9534      1.00000
     20     -17.0114      1.00000
     21     -16.9604      1.00000
     22     -16.8816      1.00000
     23     -16.8641      1.00000
     24     -16.4040      1.00000
     25     -16.3861      1.00000
     26     -15.5493      1.00000
     27     -15.5349      1.00000
     28     -15.1974      1.00000
     29     -15.1701      1.00000
     30     -15.1162      1.00000
     31     -15.0292      1.00000
     32     -15.0029      1.00000
     33     -14.6346      1.00000
     34     -14.6223      1.00000
     35     -13.6668      1.00000
     36     -13.6498      1.00000
     37     -13.1721      1.00000
     38     -12.5528      1.00000
     39     -12.5174      1.00000
     40     -12.3925      1.00000
     41     -12.3783      1.00000
     42     -12.0579      1.00000
     43     -12.0331      1.00000
     44     -11.6557      1.00000
     45     -11.6130      1.00000
     46     -11.1780      1.00000
     47     -11.1573      1.00000
     48     -10.9665      1.00000
     49     -10.9430      1.00000
     50     -10.8718      1.00000
     51     -10.8349      1.00000
     52     -10.6027      1.00000
     53     -10.0941      1.00000
     54     -10.0913      1.00000
     55     -10.0474      1.00000
     56      -9.9721      1.00000
     57      -9.6530      1.00000
     58      -9.6329      1.00000
     59      -9.5906      1.00000
     60      -9.5310      1.00000
     61      -9.5048      1.00000
     62      -9.4789      1.00000
     63      -9.2660      1.00000
     64      -9.2459      1.00000
     65      -9.2186      1.00000
     66      -9.1611      1.00000
     67      -9.0695      1.00000
     68      -9.0541      1.00000
     69      -9.0359      1.00000
     70      -8.8826      1.00000
     71      -8.8011      1.00000
     72      -8.5762      1.00000
     73      -8.5233      1.00000
     74      -8.4588      1.00000
     75      -8.0389      1.00000
     76      -7.8128      1.00000
     77      -7.8066      1.00000
     78      -7.7886      1.00000
     79      -7.7039      1.00000
     80      -7.6897      1.00000
     81      -7.3659      1.00000
     82      -7.2767      1.00000
     83      -7.2612      1.00000
     84      -7.2168      1.00000
     85      -7.1729      1.00000
     86      -7.0093      1.00000
     87      -6.9430      1.00000
     88      -6.7464      1.00000
     89      -6.6719      1.00000
     90      -6.5939      1.00000
     91      -6.5596      1.00000
     92      -6.0539      1.00000
     93      -6.0461      1.00000
     94      -6.0214      1.00000
     95      -5.9561      1.00000
     96      -5.7376      1.00000
     97      -5.1578      1.00000
     98      -4.9917      1.00000
     99      -4.7202      1.00000
    100      -4.6109      1.00000
    101      -4.4400      1.00000
    102      -4.3748      1.00000
    103      -4.1231      1.00000
    104      -3.8689      1.00000
    105      -3.8361      1.00000
    106      -3.7892      1.00000
    107      -1.7851      0.00000
    108      -1.7389      0.00000
    109      -1.3955      0.00000
    110      -1.3441      0.00000
    111      -1.2644      0.00000
    112      -1.2261      0.00000
    113      -0.7464      0.00000
    114      -0.3805      0.00000
    115      -0.2162      0.00000
    116      -0.0194      0.00000
    117       0.5911      0.00000
    118       0.7374      0.00000
    119       0.7634      0.00000
    120       1.0493      0.00000
    121       1.1412      0.00000
    122       1.2502      0.00000
    123       1.2719      0.00000
    124       1.4146      0.00000
    125       1.4782      0.00000
    126       1.5849      0.00000
    127       1.7596      0.00000
    128       1.8388      0.00000
    129       1.8975      0.00000
    130       1.9589      0.00000
    131       2.1072      0.00000
    132       2.2372      0.00000
    133       2.2480      0.00000
    134       2.2941      0.00000
    135       2.4850      0.00000
    136       2.6150      0.00000
    137       2.6362      0.00000
    138       2.7662      0.00000
    139       2.8025      0.00000
    140       2.8587      0.00000
    141       2.8708      0.00000
    142       2.8931      0.00000
    143       2.9607      0.00000
    144       3.0830      0.00000
    145       3.2834      0.00000
    146       3.3059      0.00000
    147       3.3749      0.00000
    148       3.4121      0.00000
    149       3.4656      0.00000
    150       3.5931      0.00000
    151       3.6397      0.00000
    152       3.6777      0.00000
    153       3.7094      0.00000
    154       3.9051      0.00000
    155       3.9410      0.00000
    156       3.9827      0.00000
    157       4.0845      0.00000
    158       4.2011      0.00000
    159       4.2496      0.00000
    160       4.2966      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2137      1.00000
      2     -22.0074      1.00000
      3     -21.6484      1.00000
      4     -21.6113      1.00000
      5     -20.9125      1.00000
      6     -20.8660      1.00000
      7     -20.5454      1.00000
      8     -20.5066      1.00000
      9     -20.4952      1.00000
     10     -19.9640      1.00000
     11     -19.4412      1.00000
     12     -19.4136      1.00000
     13     -19.2403      1.00000
     14     -19.2255      1.00000
     15     -18.3850      1.00000
     16     -18.3402      1.00000
     17     -17.8606      1.00000
     18     -17.8367      1.00000
     19     -17.6990      1.00000
     20     -17.6559      1.00000
     21     -17.3736      1.00000
     22     -17.3530      1.00000
     23     -17.2764      1.00000
     24     -16.3989      1.00000
     25     -16.3836      1.00000
     26     -15.8974      1.00000
     27     -15.3495      1.00000
     28     -15.3363      1.00000
     29     -15.0319      1.00000
     30     -15.0200      1.00000
     31     -14.8005      1.00000
     32     -14.7760      1.00000
     33     -14.2240      1.00000
     34     -14.1901      1.00000
     35     -13.3733      1.00000
     36     -13.3374      1.00000
     37     -13.1201      1.00000
     38     -13.1002      1.00000
     39     -12.9167      1.00000
     40     -12.9032      1.00000
     41     -12.5575      1.00000
     42     -12.5367      1.00000
     43     -12.1360      1.00000
     44     -11.5190      1.00000
     45     -11.4701      1.00000
     46     -11.2512      1.00000
     47     -11.2163      1.00000
     48     -11.0826      1.00000
     49     -10.6585      1.00000
     50     -10.5888      1.00000
     51     -10.5223      1.00000
     52     -10.2657      1.00000
     53     -10.2453      1.00000
     54     -10.1221      1.00000
     55     -10.0491      1.00000
     56     -10.0373      1.00000
     57      -9.7692      1.00000
     58      -9.7136      1.00000
     59      -9.6758      1.00000
     60      -9.6346      1.00000
     61      -9.6256      1.00000
     62      -9.5870      1.00000
     63      -9.2993      1.00000
     64      -9.2843      1.00000
     65      -9.2481      1.00000
     66      -9.0886      1.00000
     67      -8.9032      1.00000
     68      -8.8804      1.00000
     69      -8.7244      1.00000
     70      -8.5894      1.00000
     71      -8.5095      1.00000
     72      -8.3316      1.00000
     73      -8.3025      1.00000
     74      -8.2647      1.00000
     75      -8.2334      1.00000
     76      -8.1958      1.00000
     77      -8.1831      1.00000
     78      -8.1668      1.00000
     79      -8.1018      1.00000
     80      -7.6890      1.00000
     81      -7.3594      1.00000
     82      -7.3102      1.00000
     83      -7.2662      1.00000
     84      -7.1902      1.00000
     85      -7.1258      1.00000
     86      -7.0765      1.00000
     87      -6.9056      1.00000
     88      -6.8819      1.00000
     89      -6.5454      1.00000
     90      -6.4962      1.00000
     91      -6.2062      1.00000
     92      -6.0704      1.00000
     93      -5.9433      1.00000
     94      -5.7150      1.00000
     95      -5.6340      1.00000
     96      -5.4532      1.00000
     97      -5.3049      1.00000
     98      -5.2357      1.00000
     99      -5.1539      1.00000
    100      -5.1501      1.00000
    101      -4.5238      1.00000
    102      -4.4719      1.00000
    103      -4.1447      1.00000
    104      -3.8392      1.00000
    105      -3.7570      1.00000
    106      -3.6782      1.00000
    107      -1.8714      0.00000
    108      -1.8244      0.00000
    109      -1.2788      0.00000
    110      -1.0332      0.00000
    111      -1.0128      0.00000
    112      -0.7134      0.00000
    113      -0.6371      0.00000
    114      -0.5884      0.00000
    115      -0.5462      0.00000
    116      -0.2025      0.00000
    117       0.2517      0.00000
    118       0.2784      0.00000
    119       0.7603      0.00000
    120       0.9457      0.00000
    121       1.1343      0.00000
    122       1.2244      0.00000
    123       1.3204      0.00000
    124       1.4149      0.00000
    125       1.6002      0.00000
    126       1.6343      0.00000
    127       1.6987      0.00000
    128       1.8281      0.00000
    129       1.9206      0.00000
    130       2.0095      0.00000
    131       2.1045      0.00000
    132       2.3341      0.00000
    133       2.3937      0.00000
    134       2.4323      0.00000
    135       2.5392      0.00000
    136       2.6341      0.00000
    137       2.7615      0.00000
    138       2.8274      0.00000
    139       2.8343      0.00000
    140       2.8886      0.00000
    141       3.0430      0.00000
    142       3.0872      0.00000
    143       3.1875      0.00000
    144       3.2375      0.00000
    145       3.3820      0.00000
    146       3.4214      0.00000
    147       3.4851      0.00000
    148       3.5827      0.00000
    149       3.6053      0.00000
    150       3.6302      0.00000
    151       3.6510      0.00000
    152       3.7427      0.00000
    153       3.7720      0.00000
    154       3.7882      0.00000
    155       3.8107      0.00000
    156       3.8953      0.00000
    157       3.9742      0.00000
    158       4.0078      0.00000
    159       4.1768      0.00000
    160       4.2381      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2475      1.00000
      2     -21.8931      1.00000
      3     -21.8224      1.00000
      4     -21.3106      1.00000
      5     -21.2801      1.00000
      6     -20.7708      1.00000
      7     -20.7048      1.00000
      8     -20.5570      1.00000
      9     -20.0070      1.00000
     10     -19.9993      1.00000
     11     -19.6480      1.00000
     12     -19.6235      1.00000
     13     -18.9285      1.00000
     14     -18.9197      1.00000
     15     -18.5671      1.00000
     16     -18.5534      1.00000
     17     -18.3963      1.00000
     18     -17.6176      1.00000
     19     -17.5606      1.00000
     20     -17.5559      1.00000
     21     -17.5149      1.00000
     22     -17.0538      1.00000
     23     -17.0365      1.00000
     24     -16.8857      1.00000
     25     -15.9248      1.00000
     26     -15.8650      1.00000
     27     -15.5169      1.00000
     28     -15.5162      1.00000
     29     -15.2290      1.00000
     30     -14.7935      1.00000
     31     -14.7663      1.00000
     32     -14.5184      1.00000
     33     -14.4745      1.00000
     34     -14.0967      1.00000
     35     -14.0855      1.00000
     36     -13.0745      1.00000
     37     -13.0360      1.00000
     38     -12.9707      1.00000
     39     -12.9585      1.00000
     40     -12.6485      1.00000
     41     -12.6417      1.00000
     42     -12.2708      1.00000
     43     -12.2394      1.00000
     44     -11.5831      1.00000
     45     -11.5549      1.00000
     46     -11.5036      1.00000
     47     -10.9018      1.00000
     48     -10.8471      1.00000
     49     -10.6227      1.00000
     50     -10.5616      1.00000
     51     -10.4864      1.00000
     52     -10.4287      1.00000
     53     -10.4194      1.00000
     54     -10.3721      1.00000
     55     -10.3020      1.00000
     56     -10.0653      1.00000
     57      -9.8327      1.00000
     58      -9.5569      1.00000
     59      -9.4972      1.00000
     60      -9.4712      1.00000
     61      -9.3410      1.00000
     62      -9.3309      1.00000
     63      -9.3171      1.00000
     64      -9.3103      1.00000
     65      -9.2133      1.00000
     66      -9.1074      1.00000
     67      -9.0745      1.00000
     68      -9.0462      1.00000
     69      -8.8474      1.00000
     70      -8.7871      1.00000
     71      -8.7694      1.00000
     72      -8.5274      1.00000
     73      -8.4762      1.00000
     74      -8.2231      1.00000
     75      -8.1064      1.00000
     76      -8.0950      1.00000
     77      -7.8084      1.00000
     78      -7.7882      1.00000
     79      -7.7880      1.00000
     80      -7.6728      1.00000
     81      -7.6342      1.00000
     82      -7.6318      1.00000
     83      -7.4011      1.00000
     84      -7.3250      1.00000
     85      -7.2006      1.00000
     86      -6.8374      1.00000
     87      -6.8256      1.00000
     88      -6.6623      1.00000
     89      -6.5380      1.00000
     90      -6.3500      1.00000
     91      -6.3070      1.00000
     92      -6.1815      1.00000
     93      -6.1414      1.00000
     94      -5.9788      1.00000
     95      -5.5741      1.00000
     96      -5.4275      1.00000
     97      -5.2604      1.00000
     98      -5.2514      1.00000
     99      -5.1508      1.00000
    100      -4.6943      1.00000
    101      -4.6654      1.00000
    102      -4.3496      1.00000
    103      -4.3167      1.00000
    104      -3.9658      1.00000
    105      -3.8328      1.00000
    106      -3.3871      1.00000
    107      -2.2208      0.00000
    108      -1.3767      0.00000
    109      -1.2855      0.00000
    110      -1.1739      0.00000
    111      -1.0785      0.00000
    112      -0.8951      0.00000
    113      -0.7683      0.00000
    114      -0.7580      0.00000
    115      -0.2182      0.00000
    116       0.1169      0.00000
    117       0.2674      0.00000
    118       0.3460      0.00000
    119       0.7336      0.00000
    120       0.9025      0.00000
    121       0.9705      0.00000
    122       1.0954      0.00000
    123       1.2080      0.00000
    124       1.5290      0.00000
    125       1.5639      0.00000
    126       1.7164      0.00000
    127       1.8371      0.00000
    128       1.8603      0.00000
    129       1.9669      0.00000
    130       2.0006      0.00000
    131       2.1575      0.00000
    132       2.2642      0.00000
    133       2.4545      0.00000
    134       2.4799      0.00000
    135       2.5061      0.00000
    136       2.6688      0.00000
    137       2.6876      0.00000
    138       2.7312      0.00000
    139       2.7472      0.00000
    140       2.8903      0.00000
    141       3.0218      0.00000
    142       3.0807      0.00000
    143       3.2011      0.00000
    144       3.2627      0.00000
    145       3.2628      0.00000
    146       3.2662      0.00000
    147       3.3680      0.00000
    148       3.4780      0.00000
    149       3.5316      0.00000
    150       3.6957      0.00000
    151       3.7593      0.00000
    152       3.7691      0.00000
    153       3.8323      0.00000
    154       3.8790      0.00000
    155       3.9423      0.00000
    156       3.9883      0.00000
    157       4.0268      0.00000
    158       4.0574      0.00000
    159       4.0595      0.00000
    160       4.1122      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1415      1.00000
      2     -22.0463      1.00000
      3     -21.8859      1.00000
      4     -21.3337      1.00000
      5     -20.9815      1.00000
      6     -20.9428      1.00000
      7     -20.4330      1.00000
      8     -20.3901      1.00000
      9     -20.2268      1.00000
     10     -20.2053      1.00000
     11     -19.8878      1.00000
     12     -19.8201      1.00000
     13     -18.8133      1.00000
     14     -18.7420      1.00000
     15     -18.2911      1.00000
     16     -18.2370      1.00000
     17     -18.0864      1.00000
     18     -18.0641      1.00000
     19     -17.7627      1.00000
     20     -17.7192      1.00000
     21     -17.1910      1.00000
     22     -17.1652      1.00000
     23     -17.1019      1.00000
     24     -17.0616      1.00000
     25     -16.0384      1.00000
     26     -15.8207      1.00000
     27     -15.7992      1.00000
     28     -15.7619      1.00000
     29     -15.1751      1.00000
     30     -14.4887      1.00000
     31     -14.4565      1.00000
     32     -14.2188      1.00000
     33     -13.8988      1.00000
     34     -13.8899      1.00000
     35     -13.7579      1.00000
     36     -13.7344      1.00000
     37     -13.5518      1.00000
     38     -13.5018      1.00000
     39     -13.3000      1.00000
     40     -12.5647      1.00000
     41     -12.1246      1.00000
     42     -12.0646      1.00000
     43     -12.0079      1.00000
     44     -11.9493      1.00000
     45     -11.6141      1.00000
     46     -11.5908      1.00000
     47     -11.0829      1.00000
     48     -11.0500      1.00000
     49     -10.7504      1.00000
     50     -10.6596      1.00000
     51     -10.5268      1.00000
     52     -10.1563      1.00000
     53     -10.1350      1.00000
     54     -10.0959      1.00000
     55      -9.9565      1.00000
     56      -9.9478      1.00000
     57      -9.9160      1.00000
     58      -9.7404      1.00000
     59      -9.7331      1.00000
     60      -9.6978      1.00000
     61      -9.6921      1.00000
     62      -9.4281      1.00000
     63      -9.3591      1.00000
     64      -9.0864      1.00000
     65      -9.0127      1.00000
     66      -8.9718      1.00000
     67      -8.8863      1.00000
     68      -8.8112      1.00000
     69      -8.6597      1.00000
     70      -8.6389      1.00000
     71      -8.5779      1.00000
     72      -8.4744      1.00000
     73      -8.4629      1.00000
     74      -8.4003      1.00000
     75      -8.3925      1.00000
     76      -8.1832      1.00000
     77      -8.1145      1.00000
     78      -7.9774      1.00000
     79      -7.9159      1.00000
     80      -7.8484      1.00000
     81      -7.6174      1.00000
     82      -7.5290      1.00000
     83      -7.4667      1.00000
     84      -7.2572      1.00000
     85      -6.9375      1.00000
     86      -6.8608      1.00000
     87      -6.8135      1.00000
     88      -6.5744      1.00000
     89      -6.4646      1.00000
     90      -6.4169      1.00000
     91      -6.3556      1.00000
     92      -6.0530      1.00000
     93      -5.8787      1.00000
     94      -5.7523      1.00000
     95      -5.7229      1.00000
     96      -5.4774      1.00000
     97      -5.3472      1.00000
     98      -5.1809      1.00000
     99      -5.1577      1.00000
    100      -5.1534      1.00000
    101      -4.7070      1.00000
    102      -4.4422      1.00000
    103      -4.2565      1.00000
    104      -3.9976      1.00000
    105      -3.8316      1.00000
    106      -3.1548      1.00000
    107      -2.4634      0.00000
    108      -1.3805      0.00000
    109      -1.2397      0.00000
    110      -1.1470      0.00000
    111      -1.1134      0.00000
    112      -0.5644      0.00000
    113      -0.4344      0.00000
    114      -0.4299      0.00000
    115      -0.3075      0.00000
    116      -0.1904      0.00000
    117       0.0609      0.00000
    118       0.1163      0.00000
    119       0.5416      0.00000
    120       0.6838      0.00000
    121       0.8718      0.00000
    122       0.9675      0.00000
    123       1.1106      0.00000
    124       1.4969      0.00000
    125       1.6642      0.00000
    126       1.7977      0.00000
    127       1.8773      0.00000
    128       2.0914      0.00000
    129       2.1343      0.00000
    130       2.2009      0.00000
    131       2.2180      0.00000
    132       2.3404      0.00000
    133       2.3666      0.00000
    134       2.4880      0.00000
    135       2.5838      0.00000
    136       2.6678      0.00000
    137       2.8771      0.00000
    138       2.9360      0.00000
    139       2.9668      0.00000
    140       2.9905      0.00000
    141       3.0481      0.00000
    142       3.1497      0.00000
    143       3.1875      0.00000
    144       3.2550      0.00000
    145       3.2900      0.00000
    146       3.3308      0.00000
    147       3.3520      0.00000
    148       3.3795      0.00000
    149       3.4023      0.00000
    150       3.4951      0.00000
    151       3.5537      0.00000
    152       3.6337      0.00000
    153       3.6979      0.00000
    154       3.7082      0.00000
    155       3.7276      0.00000
    156       3.9200      0.00000
    157       3.9437      0.00000
    158       4.0592      0.00000
    159       4.0892      0.00000
    160       4.2004      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2472      1.00000
      2     -21.8946      1.00000
      3     -21.8209      1.00000
      4     -21.3161      1.00000
      5     -21.2771      1.00000
      6     -20.7706      1.00000
      7     -20.7015      1.00000
      8     -20.5533      1.00000
      9     -20.0231      1.00000
     10     -19.9904      1.00000
     11     -19.6497      1.00000
     12     -19.6181      1.00000
     13     -18.9436      1.00000
     14     -18.9080      1.00000
     15     -18.5851      1.00000
     16     -18.5473      1.00000
     17     -18.3901      1.00000
     18     -17.6016      1.00000
     19     -17.5669      1.00000
     20     -17.5398      1.00000
     21     -17.5062      1.00000
     22     -17.0755      1.00000
     23     -17.0270      1.00000
     24     -16.9022      1.00000
     25     -15.9474      1.00000
     26     -15.8515      1.00000
     27     -15.5319      1.00000
     28     -15.5058      1.00000
     29     -15.2083      1.00000
     30     -14.8138      1.00000
     31     -14.7611      1.00000
     32     -14.5073      1.00000
     33     -14.4655      1.00000
     34     -14.0993      1.00000
     35     -14.0938      1.00000
     36     -13.1049      1.00000
     37     -13.0277      1.00000
     38     -12.9534      1.00000
     39     -12.9478      1.00000
     40     -12.6541      1.00000
     41     -12.6249      1.00000
     42     -12.2746      1.00000
     43     -12.2486      1.00000
     44     -11.5763      1.00000
     45     -11.5550      1.00000
     46     -11.5009      1.00000
     47     -10.8774      1.00000
     48     -10.8728      1.00000
     49     -10.6829      1.00000
     50     -10.5241      1.00000
     51     -10.5187      1.00000
     52     -10.4387      1.00000
     53     -10.4142      1.00000
     54     -10.3690      1.00000
     55     -10.2832      1.00000
     56     -10.0607      1.00000
     57      -9.8314      1.00000
     58      -9.5553      1.00000
     59      -9.4797      1.00000
     60      -9.4435      1.00000
     61      -9.3648      1.00000
     62      -9.3339      1.00000
     63      -9.3032      1.00000
     64      -9.2997      1.00000
     65      -9.2063      1.00000
     66      -9.1018      1.00000
     67      -9.0708      1.00000
     68      -9.0502      1.00000
     69      -8.8510      1.00000
     70      -8.8057      1.00000
     71      -8.7743      1.00000
     72      -8.5259      1.00000
     73      -8.4972      1.00000
     74      -8.2273      1.00000
     75      -8.1353      1.00000
     76      -8.0904      1.00000
     77      -7.8046      1.00000
     78      -7.7642      1.00000
     79      -7.7383      1.00000
     80      -7.7038      1.00000
     81      -7.6324      1.00000
     82      -7.6245      1.00000
     83      -7.3883      1.00000
     84      -7.3429      1.00000
     85      -7.2204      1.00000
     86      -6.8434      1.00000
     87      -6.8229      1.00000
     88      -6.6396      1.00000
     89      -6.5303      1.00000
     90      -6.3377      1.00000
     91      -6.2743      1.00000
     92      -6.1963      1.00000
     93      -6.1346      1.00000
     94      -6.0207      1.00000
     95      -5.6370      1.00000
     96      -5.5095      1.00000
     97      -5.2963      1.00000
     98      -5.1549      1.00000
     99      -5.0415      1.00000
    100      -4.7262      1.00000
    101      -4.6869      1.00000
    102      -4.3695      1.00000
    103      -4.1858      1.00000
    104      -4.0108      1.00000
    105      -3.8311      1.00000
    106      -3.4848      1.00000
    107      -2.1636      0.00000
    108      -1.3848      0.00000
    109      -1.2351      0.00000
    110      -1.1841      0.00000
    111      -1.0155      0.00000
    112      -0.9530      0.00000
    113      -0.7968      0.00000
    114      -0.7513      0.00000
    115      -0.3661      0.00000
    116       0.2437      0.00000
    117       0.2753      0.00000
    118       0.3642      0.00000
    119       0.7002      0.00000
    120       0.8704      0.00000
    121       0.9654      0.00000
    122       1.1277      0.00000
    123       1.2341      0.00000
    124       1.4574      0.00000
    125       1.5545      0.00000
    126       1.7820      0.00000
    127       1.8528      0.00000
    128       1.8847      0.00000
    129       1.9846      0.00000
    130       2.0305      0.00000
    131       2.1989      0.00000
    132       2.2124      0.00000
    133       2.4032      0.00000
    134       2.4502      0.00000
    135       2.5627      0.00000
    136       2.6571      0.00000
    137       2.6841      0.00000
    138       2.7276      0.00000
    139       2.7693      0.00000
    140       2.8573      0.00000
    141       2.9668      0.00000
    142       3.0824      0.00000
    143       3.1921      0.00000
    144       3.2425      0.00000
    145       3.2585      0.00000
    146       3.2984      0.00000
    147       3.3349      0.00000
    148       3.4830      0.00000
    149       3.5060      0.00000
    150       3.7073      0.00000
    151       3.7220      0.00000
    152       3.7711      0.00000
    153       3.8599      0.00000
    154       3.8767      0.00000
    155       3.9003      0.00000
    156       3.9985      0.00000
    157       4.0029      0.00000
    158       4.0551      0.00000
    159       4.0743      0.00000
    160       4.1265      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3192      1.00000
      2     -21.7607      1.00000
      3     -21.5675      1.00000
      4     -21.5406      1.00000
      5     -21.2046      1.00000
      6     -21.1658      1.00000
      7     -20.9842      1.00000
      8     -20.0975      1.00000
      9     -20.0587      1.00000
     10     -19.5481      1.00000
     11     -19.5277      1.00000
     12     -19.3421      1.00000
     13     -19.0275      1.00000
     14     -18.9887      1.00000
     15     -18.9774      1.00000
     16     -18.9705      1.00000
     17     -18.2968      1.00000
     18     -18.2831      1.00000
     19     -17.9421      1.00000
     20     -16.9973      1.00000
     21     -16.9560      1.00000
     22     -16.8825      1.00000
     23     -16.8699      1.00000
     24     -16.4197      1.00000
     25     -16.3969      1.00000
     26     -15.5429      1.00000
     27     -15.5396      1.00000
     28     -15.1707      1.00000
     29     -15.1694      1.00000
     30     -15.1270      1.00000
     31     -15.0333      1.00000
     32     -14.9981      1.00000
     33     -14.6358      1.00000
     34     -14.6289      1.00000
     35     -13.6645      1.00000
     36     -13.6545      1.00000
     37     -13.1652      1.00000
     38     -12.5710      1.00000
     39     -12.5109      1.00000
     40     -12.3825      1.00000
     41     -12.3822      1.00000
     42     -12.0353      1.00000
     43     -12.0312      1.00000
     44     -11.6616      1.00000
     45     -11.6211      1.00000
     46     -11.2084      1.00000
     47     -11.1590      1.00000
     48     -10.9515      1.00000
     49     -10.9376      1.00000
     50     -10.8639      1.00000
     51     -10.8314      1.00000
     52     -10.6258      1.00000
     53     -10.1452      1.00000
     54     -10.0819      1.00000
     55     -10.0200      1.00000
     56      -9.9439      1.00000
     57      -9.6298      1.00000
     58      -9.6272      1.00000
     59      -9.6020      1.00000
     60      -9.5434      1.00000
     61      -9.5065      1.00000
     62      -9.4800      1.00000
     63      -9.2711      1.00000
     64      -9.2299      1.00000
     65      -9.2036      1.00000
     66      -9.1889      1.00000
     67      -9.0621      1.00000
     68      -9.0423      1.00000
     69      -9.0389      1.00000
     70      -8.8758      1.00000
     71      -8.8181      1.00000
     72      -8.5385      1.00000
     73      -8.5365      1.00000
     74      -8.5039      1.00000
     75      -8.0235      1.00000
     76      -7.8377      1.00000
     77      -7.7999      1.00000
     78      -7.7759      1.00000
     79      -7.6985      1.00000
     80      -7.6800      1.00000
     81      -7.4151      1.00000
     82      -7.2843      1.00000
     83      -7.2470      1.00000
     84      -7.2040      1.00000
     85      -7.0805      1.00000
     86      -7.0762      1.00000
     87      -6.9459      1.00000
     88      -6.7110      1.00000
     89      -6.6752      1.00000
     90      -6.6299      1.00000
     91      -6.5560      1.00000
     92      -6.0683      1.00000
     93      -6.0281      1.00000
     94      -6.0059      1.00000
     95      -5.9408      1.00000
     96      -5.7989      1.00000
     97      -5.1828      1.00000
     98      -4.8963      1.00000
     99      -4.7946      1.00000
    100      -4.6090      1.00000
    101      -4.5132      1.00000
    102      -4.1421      1.00000
    103      -4.0913      1.00000
    104      -3.9321      1.00000
    105      -3.9181      1.00000
    106      -3.8301      1.00000
    107      -1.7514      0.00000
    108      -1.6952      0.00000
    109      -1.4116      0.00000
    110      -1.3703      0.00000
    111      -1.2650      0.00000
    112      -1.2341      0.00000
    113      -0.6246      0.00000
    114      -0.5943      0.00000
    115      -0.1923      0.00000
    116       0.0413      0.00000
    117       0.5835      0.00000
    118       0.7388      0.00000
    119       0.8482      0.00000
    120       0.9295      0.00000
    121       1.1687      0.00000
    122       1.2123      0.00000
    123       1.2495      0.00000
    124       1.4172      0.00000
    125       1.6010      0.00000
    126       1.6385      0.00000
    127       1.7035      0.00000
    128       1.8088      0.00000
    129       1.9226      0.00000
    130       1.9391      0.00000
    131       2.1489      0.00000
    132       2.1715      0.00000
    133       2.2597      0.00000
    134       2.2969      0.00000
    135       2.5468      0.00000
    136       2.5594      0.00000
    137       2.6402      0.00000
    138       2.7601      0.00000
    139       2.8103      0.00000
    140       2.8502      0.00000
    141       2.8939      0.00000
    142       2.9469      0.00000
    143       3.0175      0.00000
    144       3.0244      0.00000
    145       3.0828      0.00000
    146       3.3150      0.00000
    147       3.3760      0.00000
    148       3.4221      0.00000
    149       3.4825      0.00000
    150       3.5977      0.00000
    151       3.6575      0.00000
    152       3.6673      0.00000
    153       3.6832      0.00000
    154       3.9017      0.00000
    155       3.9744      0.00000
    156       4.0252      0.00000
    157       4.0731      0.00000
    158       4.2448      0.00000
    159       4.2562      0.00000
    160       4.2691      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1404      1.00000
      2     -22.0474      1.00000
      3     -21.8858      1.00000
      4     -21.3358      1.00000
      5     -20.9759      1.00000
      6     -20.9463      1.00000
      7     -20.4277      1.00000
      8     -20.3955      1.00000
      9     -20.2141      1.00000
     10     -20.2120      1.00000
     11     -19.8889      1.00000
     12     -19.8251      1.00000
     13     -18.8198      1.00000
     14     -18.7489      1.00000
     15     -18.2628      1.00000
     16     -18.2490      1.00000
     17     -18.0801      1.00000
     18     -18.0733      1.00000
     19     -17.7434      1.00000
     20     -17.7278      1.00000
     21     -17.1967      1.00000
     22     -17.1728      1.00000
     23     -17.0829      1.00000
     24     -17.0715      1.00000
     25     -16.0517      1.00000
     26     -15.8101      1.00000
     27     -15.8005      1.00000
     28     -15.7818      1.00000
     29     -15.1553      1.00000
     30     -14.4892      1.00000
     31     -14.4677      1.00000
     32     -14.2013      1.00000
     33     -13.9127      1.00000
     34     -13.8824      1.00000
     35     -13.7576      1.00000
     36     -13.7374      1.00000
     37     -13.5365      1.00000
     38     -13.5106      1.00000
     39     -13.3000      1.00000
     40     -12.5748      1.00000
     41     -12.1027      1.00000
     42     -12.0787      1.00000
     43     -12.0015      1.00000
     44     -11.9541      1.00000
     45     -11.5995      1.00000
     46     -11.5914      1.00000
     47     -11.0886      1.00000
     48     -11.0650      1.00000
     49     -10.7393      1.00000
     50     -10.6720      1.00000
     51     -10.5613      1.00000
     52     -10.1347      1.00000
     53     -10.1302      1.00000
     54     -10.0999      1.00000
     55      -9.9642      1.00000
     56      -9.9217      1.00000
     57      -9.9198      1.00000
     58      -9.7488      1.00000
     59      -9.7239      1.00000
     60      -9.6963      1.00000
     61      -9.6960      1.00000
     62      -9.4021      1.00000
     63      -9.3985      1.00000
     64      -9.0686      1.00000
     65      -8.9799      1.00000
     66      -8.9777      1.00000
     67      -8.9089      1.00000
     68      -8.8117      1.00000
     69      -8.6459      1.00000
     70      -8.6286      1.00000
     71      -8.5478      1.00000
     72      -8.5099      1.00000
     73      -8.4907      1.00000
     74      -8.3934      1.00000
     75      -8.3816      1.00000
     76      -8.2097      1.00000
     77      -8.1021      1.00000
     78      -8.0057      1.00000
     79      -7.9002      1.00000
     80      -7.8405      1.00000
     81      -7.6224      1.00000
     82      -7.5340      1.00000
     83      -7.4621      1.00000
     84      -7.2542      1.00000
     85      -6.9374      1.00000
     86      -6.8633      1.00000
     87      -6.8042      1.00000
     88      -6.4800      1.00000
     89      -6.4741      1.00000
     90      -6.4151      1.00000
     91      -6.3617      1.00000
     92      -6.1920      1.00000
     93      -5.8570      1.00000
     94      -5.7369      1.00000
     95      -5.7109      1.00000
     96      -5.5233      1.00000
     97      -5.3296      1.00000
     98      -5.1698      1.00000
     99      -5.1670      1.00000
    100      -5.1345      1.00000
    101      -4.6980      1.00000
    102      -4.3500      1.00000
    103      -4.2817      1.00000
    104      -4.0314      1.00000
    105      -3.8326      1.00000
    106      -3.2349      1.00000
    107      -2.4032      0.00000
    108      -1.3471      0.00000
    109      -1.2402      0.00000
    110      -1.1529      0.00000
    111      -1.1094      0.00000
    112      -0.5841      0.00000
    113      -0.5213      0.00000
    114      -0.4334      0.00000
    115      -0.2770      0.00000
    116      -0.0696      0.00000
    117      -0.0100      0.00000
    118       0.0623      0.00000
    119       0.5822      0.00000
    120       0.7097      0.00000
    121       0.8108      0.00000
    122       0.9432      0.00000
    123       1.1817      0.00000
    124       1.5110      0.00000
    125       1.6200      0.00000
    126       1.8535      0.00000
    127       2.0056      0.00000
    128       2.0496      0.00000
    129       2.1144      0.00000
    130       2.1639      0.00000
    131       2.2561      0.00000
    132       2.2846      0.00000
    133       2.3457      0.00000
    134       2.4670      0.00000
    135       2.6124      0.00000
    136       2.7012      0.00000
    137       2.8205      0.00000
    138       2.9191      0.00000
    139       2.9450      0.00000
    140       3.0320      0.00000
    141       3.0459      0.00000
    142       3.1554      0.00000
    143       3.1643      0.00000
    144       3.2218      0.00000
    145       3.2970      0.00000
    146       3.3103      0.00000
    147       3.3529      0.00000
    148       3.3721      0.00000
    149       3.4169      0.00000
    150       3.4506      0.00000
    151       3.5513      0.00000
    152       3.6135      0.00000
    153       3.7039      0.00000
    154       3.7356      0.00000
    155       3.8465      0.00000
    156       3.9029      0.00000
    157       3.9301      0.00000
    158       3.9572      0.00000
    159       4.1435      0.00000
    160       4.1782      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2131      1.00000
      2     -22.0077      1.00000
      3     -21.6464      1.00000
      4     -21.6153      1.00000
      5     -20.9094      1.00000
      6     -20.8688      1.00000
      7     -20.5384      1.00000
      8     -20.5050      1.00000
      9     -20.4992      1.00000
     10     -19.9603      1.00000
     11     -19.4429      1.00000
     12     -19.4205      1.00000
     13     -19.2417      1.00000
     14     -19.2344      1.00000
     15     -18.3738      1.00000
     16     -18.3388      1.00000
     17     -17.8597      1.00000
     18     -17.8433      1.00000
     19     -17.6884      1.00000
     20     -17.6526      1.00000
     21     -17.3729      1.00000
     22     -17.3584      1.00000
     23     -17.2621      1.00000
     24     -16.4178      1.00000
     25     -16.3942      1.00000
     26     -15.9018      1.00000
     27     -15.3464      1.00000
     28     -15.3415      1.00000
     29     -15.0339      1.00000
     30     -15.0242      1.00000
     31     -14.7732      1.00000
     32     -14.7712      1.00000
     33     -14.2345      1.00000
     34     -14.1836      1.00000
     35     -13.3848      1.00000
     36     -13.3301      1.00000
     37     -13.1124      1.00000
     38     -13.1043      1.00000
     39     -12.9161      1.00000
     40     -12.9101      1.00000
     41     -12.5461      1.00000
     42     -12.5384      1.00000
     43     -12.1273      1.00000
     44     -11.5201      1.00000
     45     -11.4755      1.00000
     46     -11.2502      1.00000
     47     -11.2184      1.00000
     48     -11.0801      1.00000
     49     -10.7090      1.00000
     50     -10.5988      1.00000
     51     -10.5110      1.00000
     52     -10.2465      1.00000
     53     -10.2427      1.00000
     54     -10.1222      1.00000
     55     -10.0579      1.00000
     56     -10.0416      1.00000
     57      -9.7846      1.00000
     58      -9.6833      1.00000
     59      -9.6705      1.00000
     60      -9.6334      1.00000
     61      -9.6235      1.00000
     62      -9.5857      1.00000
     63      -9.2922      1.00000
     64      -9.2797      1.00000
     65      -9.2629      1.00000
     66      -9.0659      1.00000
     67      -8.8911      1.00000
     68      -8.8801      1.00000
     69      -8.7184      1.00000
     70      -8.5821      1.00000
     71      -8.5353      1.00000
     72      -8.3502      1.00000
     73      -8.3054      1.00000
     74      -8.2434      1.00000
     75      -8.2353      1.00000
     76      -8.1972      1.00000
     77      -8.1838      1.00000
     78      -8.1745      1.00000
     79      -8.1081      1.00000
     80      -7.6883      1.00000
     81      -7.4194      1.00000
     82      -7.3398      1.00000
     83      -7.2539      1.00000
     84      -7.1620      1.00000
     85      -7.1110      1.00000
     86      -7.0054      1.00000
     87      -6.9053      1.00000
     88      -6.8486      1.00000
     89      -6.5499      1.00000
     90      -6.4910      1.00000
     91      -6.2140      1.00000
     92      -6.2094      1.00000
     93      -5.8930      1.00000
     94      -5.6747      1.00000
     95      -5.6077      1.00000
     96      -5.5810      1.00000
     97      -5.2515      1.00000
     98      -5.2302      1.00000
     99      -5.1641      1.00000
    100      -5.1344      1.00000
    101      -4.6015      1.00000
    102      -4.2514      1.00000
    103      -4.0480      1.00000
    104      -3.8867      1.00000
    105      -3.8448      1.00000
    106      -3.8025      1.00000
    107      -1.8065      0.00000
    108      -1.7791      0.00000
    109      -1.2272      0.00000
    110      -1.1721      0.00000
    111      -0.9753      0.00000
    112      -0.7362      0.00000
    113      -0.6495      0.00000
    114      -0.5950      0.00000
    115      -0.5480      0.00000
    116      -0.1525      0.00000
    117       0.1774      0.00000
    118       0.2896      0.00000
    119       0.7058      0.00000
    120       0.9489      0.00000
    121       1.1671      0.00000
    122       1.2765      0.00000
    123       1.3441      0.00000
    124       1.5127      0.00000
    125       1.6064      0.00000
    126       1.6268      0.00000
    127       1.6907      0.00000
    128       1.7762      0.00000
    129       1.8569      0.00000
    130       2.0814      0.00000
    131       2.1707      0.00000
    132       2.3180      0.00000
    133       2.3931      0.00000
    134       2.4256      0.00000
    135       2.5589      0.00000
    136       2.6231      0.00000
    137       2.6862      0.00000
    138       2.7514      0.00000
    139       2.8206      0.00000
    140       2.9114      0.00000
    141       3.0606      0.00000
    142       3.0628      0.00000
    143       3.1807      0.00000
    144       3.2800      0.00000
    145       3.3754      0.00000
    146       3.4126      0.00000
    147       3.4632      0.00000
    148       3.5493      0.00000
    149       3.5688      0.00000
    150       3.6294      0.00000
    151       3.6612      0.00000
    152       3.7005      0.00000
    153       3.7890      0.00000
    154       3.8051      0.00000
    155       3.8236      0.00000
    156       3.8945      0.00000
    157       3.9010      0.00000
    158       3.9784      0.00000
    159       4.1927      0.00000
    160       4.2351      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0401   -7.2554    3.9847   -1.1331   -0.1860   17.3763    0.4899   -0.8147    0.7721   -0.4774
x    -3.1249   -0.0256   -0.0213   -0.0253    0.0910   -3.0540    0.0297   -0.0244    0.0084    0.0018
x    -0.0951   -0.0028    0.0035   -0.0031    0.0022   -0.0243    0.0000    0.0000   -0.0001    0.0001
x    -0.0035   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0401    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0034    0.0000    0.0004    0.0007    0.0028   -0.0990   -0.0315    0.0620    0.0184
y     0.0229   -3.2425   -0.1789    0.1698   -2.4124   -0.6648
z   204.0401    1.7388    0.2896    0.0888   -0.0013    0.0780   -0.0019    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1048    0.0015   -0.0010   -0.0001    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0013   -0.0001    0.0001    0.0000
z    -0.0001    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  -16.6945
z     0.1377    0.2297   -0.0310    0.0576   -0.0907    0.0006
 total charge-density along one line
x   212.0000  -10.0863    5.9315   -1.9420   -0.4216   19.2950   -0.6596    0.2078    0.0671   -0.1069
x    -2.7042   -0.0093    0.0010   -0.0442    0.0965   -2.3445    0.0472   -0.0344    0.0118    0.0024
x    -0.0852   -0.0054    0.0083   -0.0079    0.0054   -0.0376    0.0000   -0.0001    0.0003   -0.0004
x    -0.0055    0.0000   -0.0002    0.0001    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  -10.0863    5.9315   -1.9420   -0.4216   19.2950   -0.6596    0.2078    0.0671   -0.1069
y    -2.7042   -0.0093    0.0010   -0.0442    0.0965   -2.3445    0.0472   -0.0344    0.0118    0.0024
y    -0.0852   -0.0054    0.0083   -0.0079    0.0054   -0.0376    0.0000   -0.0001    0.0003   -0.0004
y    -0.0055    0.0000   -0.0002    0.0001    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 -205.3091  188.8794 -170.1751  154.0885 -140.4019  126.4931 -111.0127   94.7457  -79.0844
z    64.7214  -51.7879   40.5540  -31.5035   24.7820  -19.8574   15.8595  -12.2138    8.9092   -6.2234
z     4.2919   -2.9592    1.9609   -1.1527    0.5423   -0.1570   -0.0610    0.2213   -0.3834    0.5185
z    -0.5687    0.5255   -0.4416    0.3770   -0.3478    0.3291   -0.2949    0.2451   -0.1976    0.1643
z    -0.1415    0.1197   -0.0959    0.0749   -0.0611    0.0533   -0.0469    0.0392   -0.0314    0.0258
z    -0.0227    0.0203   -0.0173    0.0141   -0.0113    0.0093   -0.0076    0.0058   -0.0043    0.0032
z    -0.0022    0.0013   -0.0004   -0.0002    0.0004   -0.0004    0.0005   -0.0008    0.0009   -0.0007
z     0.0004   -0.0002    0.0001   -0.0001    0.0000    0.0001   -0.0003    0.0003   -0.0004    0.0003
z    -0.0003    0.0003   -0.0002    0.0002   -0.0002    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001
z     0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 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
-10.941   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.270   0.000  -0.101   0.000   0.000   0.239   0.000
  0.041   0.000 -11.246   0.000  -0.024  -0.006   0.000   0.238
  0.000  -0.101   0.000 -11.154   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.938   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.238   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.226   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.199   0.000   0.000   0.000
  0.036   0.000   0.101   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.025   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.941   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.270   0.000  -0.101   0.000   0.000   0.239   0.000
  0.041   0.000 -11.246   0.000  -0.024  -0.006   0.000   0.238
  0.000  -0.101   0.000 -11.154   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.938   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.238   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.226   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.199   0.000   0.000   0.000
  0.036   0.000   0.101   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.025   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.960   0.000  -0.027   0.000   0.002   0.021   0.000   0.057   0.000  -0.014  -0.026   0.025   0.000  -0.001   0.000   0.000
  0.000   1.586   0.000  -0.146   0.000   0.000   0.594   0.000   0.259   0.000   0.000   0.000   0.160   0.000   0.106  -0.035
 -0.027   0.000   1.788   0.000   0.019   0.043   0.000   0.356   0.000  -0.026  -0.233  -0.044   0.000   0.095   0.000   0.000
  0.000  -0.146   0.000   1.755   0.000   0.000   0.259   0.000   0.295   0.000   0.000   0.000   0.108   0.000   0.038   0.005
  0.002   0.000   0.019   0.000   1.966  -0.014   0.000  -0.035   0.000   0.003   0.010  -0.015   0.000   0.003   0.000   0.000
  0.021   0.000   0.043   0.000  -0.014   0.063   0.000   0.101   0.000  -0.024   0.191  -0.052   0.000   0.116   0.000   0.000
  0.000   0.594   0.000   0.259   0.000   0.000   0.329   0.000   0.106   0.000   0.000   0.000   0.056   0.000   0.066  -0.011
  0.057   0.000   0.356   0.000  -0.035   0.101   0.000   0.566   0.000  -0.057   0.703  -0.294   0.000   0.087   0.000   0.000
  0.000   0.259   0.000   0.295   0.000   0.000   0.106   0.000   0.207   0.000   0.000   0.000   0.065   0.000  -0.020  -0.006
 -0.014   0.000  -0.026   0.000   0.003  -0.024   0.000  -0.057   0.000   0.036  -0.108   0.030   0.000  -0.068   0.000   0.000
 -0.026   0.000  -0.233   0.000   0.010   0.191   0.000   0.703   0.000  -0.108   1.352  -0.433   0.000   0.265   0.000   0.000
  0.025   0.000  -0.044   0.000  -0.015  -0.052   0.000  -0.294   0.000   0.030  -0.433   0.193   0.000  -0.033   0.000   0.000
  0.000   0.160   0.000   0.108   0.000   0.000   0.056   0.000   0.065   0.000   0.000   0.000   0.043   0.000   0.011  -0.004
 -0.001   0.000   0.095   0.000   0.003   0.116   0.000   0.087   0.000  -0.068   0.265  -0.033   0.000   0.311   0.000   0.000
  0.000   0.106   0.000   0.038   0.000   0.000   0.066   0.000  -0.020   0.000   0.000   0.000   0.011   0.000   0.031  -0.002
  0.000  -0.035   0.000   0.005   0.000   0.000  -0.011   0.000  -0.006   0.000   0.000   0.000  -0.004   0.000  -0.002   0.001
  0.001   0.000  -0.037   0.000  -0.001  -0.005   0.000  -0.009   0.000   0.003  -0.006   0.000   0.000  -0.014   0.000   0.000
  0.000   0.005   0.000  -0.041   0.000   0.000  -0.006   0.000  -0.004   0.000   0.000   0.000  -0.002   0.000  -0.002   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        0.639   0.278   8.026   8.943
  2        0.514   0.028   0.000   0.542
  3        0.514   0.028   0.000   0.542
  4        0.864   1.783   0.000   2.647
  5        0.864   1.783   0.000   2.646
  6        0.864   1.782   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   1.783   0.000   2.647
 10        0.864   1.784   0.000   2.647
 11        0.863   1.783   0.000   2.646
 12        0.864   1.784   0.000   2.648
 13        0.864   1.783   0.000   2.646
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.863   1.777   0.000   2.640
 17        0.856   1.772   0.000   2.629
 18        0.864   1.784   0.000   2.647
 19        0.864   1.782   0.000   2.646
 20        0.864   1.782   0.000   2.645
 21        0.863   1.781   0.000   2.644
 22        0.863   1.776   0.000   2.639
 23        0.863   1.783   0.000   2.646
 24        0.864   1.783   0.000   2.646
 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   1.783   0.000   2.647
 29        0.864   1.783   0.000   2.646
 30        0.864   1.783   0.000   2.647
 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   1.782   0.000   2.646
 35        0.863   1.783   0.000   2.646
 36        0.863   1.776   0.000   2.639
 37        0.863   1.781   0.000   2.644
 38        0.864   1.782   0.000   2.645
 39        0.864   1.784   0.000   2.648
 40        0.864   1.784   0.000   2.647
 41        0.856   1.772   0.000   2.629
 42        0.863   1.777   0.000   2.640
 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   2.646
 46        0.864   1.784   0.000   2.648
 47        0.863   1.783   0.000   2.646
 48        0.864   1.784   0.000   2.647
 49        0.864   1.783   0.000   2.647
 50        0.864   1.783   0.000   2.647
 51        0.864   1.784   0.000   2.648
 52        0.864   1.782   0.000   2.646
 53        0.864   1.783   0.000   2.646
------------------------------------------------
tot       44.831  89.434   8.026 142.291
 


 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  114.02: CPU time   57.68
    FORLOC:  VPU time    1.23: CPU time    1.23
    FORNL :  VPU time  442.61: CPU time  222.19
    STRESS:  VPU time 1334.26: CPU time  671.59
    FORCOR:  VPU time    8.77: CPU time    8.77
    FORHAR:  VPU time    2.30: CPU time    2.30
    MIXING:  VPU time    0.18: CPU time    0.18
 d Force = 0.6147598E-05[ 0.576E-05, 0.654E-05]  d Energy = 0.2168528E-05 0.398E-05
 d Force =-0.3308619E-02[-0.331E-02,-0.331E-02]  d Ewald  =-0.2906127E-01 0.258E-01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.644391 eV

  energy  without entropy=     -471.644391  energy(sigma->0) =     -471.644391
 

  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    40728.10  40745.89 -47429.93     15.41      0.00      0.00
  Hartree  40194.83  40198.67 -39449.28      3.32      0.00      0.00
  E(xc)     -779.75   -779.54   -807.26      0.18      0.00      0.00
  Local   -83216.30 -83231.59  84196.67    -13.24      0.00      0.00
  n-local   -215.83   -215.58   -203.78     -0.04      0.00      0.00
  augment     22.10     20.54     17.35     -1.35      0.00      0.00
  Kinetic   3169.24   3170.84   3582.12     -7.08      0.00      0.00
  -------------------------------------------------------------------------------------
  Total        0.10     -0.63     -0.19     -0.63      0.00      0.00
  in kB        0.06     -0.38     -0.11     -0.38      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
    12.345656179  0.005317915  0.000000000     0.080980031  0.046707412  0.000000000
    -6.168229283 10.694306889  0.000000000    -0.000040269  0.093484470  0.000000000
     0.000000000  0.000000000 19.976079638     0.000000000  0.000000000  0.050059873

  length of vectors
    12.345657325 12.345657225 19.976079638     0.093484478  0.093484479  0.050059873


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.297E-05 -.463E-04 -.960E+03   0.436E-05 -.275E-04 0.968E+03   0.000E+00 0.000E+00 -.785E+01   0.806E-07 -.472E-07 0.872E-03
   -.175E+02 -.304E+02 -.136E+03   0.184E+02 0.318E+02 0.139E+03   -.828E+00 -.143E+01 -.258E+01   0.262E-04 0.443E-04 -.251E-04
   0.175E+02 0.304E+02 -.136E+03   -.184E+02 -.318E+02 0.139E+03   0.828E+00 0.143E+01 -.258E+01   -.262E-04 -.443E-04 -.251E-04
   -.189E+01 0.109E+01 0.169E+02   0.191E+01 -.110E+01 -.168E+02   -.420E-02 0.243E-02 -.677E-02   -.211E-03 0.119E-03 0.145E-03
   0.588E+01 0.685E+01 0.195E+02   -.588E+01 -.689E+01 -.195E+02   0.109E-01 0.309E-01 -.207E-01   -.115E-03 -.524E-05 0.177E-03
   0.113E+02 0.502E+01 0.183E+02   -.113E+02 -.504E+01 -.183E+02   0.295E-01 0.612E-02 -.553E-01   0.449E-04 -.527E-04 0.147E-04
   0.460E+01 -.107E+01 0.164E+02   -.461E+01 0.108E+01 -.164E+02   0.254E-01 -.205E-01 -.306E-02   -.697E-04 0.298E-04 -.118E-03
   -.285E+01 -.246E+01 0.149E+02   0.287E+01 0.247E+01 -.148E+02   -.916E-02 -.179E-01 -.305E-02   -.242E-03 0.145E-03 -.152E-04
   0.705E+00 0.369E+01 0.149E+02   -.703E+00 -.372E+01 -.148E+02   0.109E-01 0.169E-01 -.305E-02   -.251E-03 0.131E-03 -.188E-04
   0.282E+01 0.182E+02 0.245E+02   -.282E+01 -.183E+02 -.245E+02   0.140E-01 0.106E+00 -.124E-01   -.187E-03 0.431E-06 0.125E-03
   0.215E+02 0.226E+02 0.400E+02   -.216E+02 -.228E+02 -.400E+02   0.121E+00 0.227E+00 -.139E-01   -.814E-04 0.106E-03 0.123E-03
   0.266E+02 -.456E+01 0.271E+02   -.268E+02 0.467E+01 -.271E+02   0.243E+00 -.122E+00 -.553E-01   0.368E-04 -.518E-04 -.156E-03
   0.927E+01 -.535E+01 0.155E+02   -.928E+01 0.536E+01 -.155E+02   0.222E-01 -.128E-01 0.144E-02   -.104E-03 0.540E-04 -.166E-03
   0.322E+01 -.345E+01 0.164E+02   -.324E+01 0.346E+01 -.164E+02   0.304E-01 -.118E-01 -.306E-02   -.628E-04 0.413E-04 -.126E-03
   -.598E+01 0.132E+02 0.201E+02   0.599E+01 -.132E+02 -.201E+02   -.338E-03 0.721E-01 -.737E-02   -.230E-03 0.138E-03 -.997E-04
   -.122E+02 0.335E+02 0.463E+02   0.123E+02 -.342E+02 -.466E+02   -.868E-01 0.680E+00 0.355E+00   -.188E-03 0.546E-04 -.299E-04
   0.266E+02 -.154E+02 0.695E+02   -.276E+02 0.159E+02 -.716E+02   0.981E+00 -.567E+00 0.210E+01   -.438E-04 0.226E-04 0.728E-05
   0.172E+02 -.208E+02 0.271E+02   -.175E+02 0.209E+02 -.271E+02   0.227E+00 -.149E+00 -.553E-01   0.611E-04 -.132E-04 -.161E-03
   0.131E+01 -.123E+02 0.183E+02   -.131E+01 0.123E+02 -.183E+02   0.944E-02 -.286E-01 -.553E-01   0.709E-04 -.137E-04 0.923E-05
   -.381E+01 0.151E+01 0.144E+02   0.383E+01 -.152E+01 -.143E+02   -.207E-02 0.538E-03 -.398E-01   -.505E-04 0.395E-04 -.117E-03
   -.181E+02 0.105E+02 0.210E+02   0.182E+02 -.105E+02 -.209E+02   -.597E-01 0.344E-01 -.130E+00   -.250E-03 0.148E-03 -.212E-03
   -.351E+02 -.617E+01 0.463E+02   0.357E+02 0.643E+01 -.466E+02   -.632E+00 -.265E+00 0.355E+00   -.138E-03 0.135E-03 -.268E-04
   -.879E+01 -.299E+02 0.400E+02   0.894E+01 0.301E+02 -.400E+02   -.136E+00 -.218E+00 -.139E-01   -.130E-03 0.129E-04 0.121E-03
   -.299E+01 -.852E+01 0.195E+02   0.303E+01 0.853E+01 -.195E+02   -.213E-01 -.249E-01 -.207E-01   -.513E-04 0.100E-03 0.177E-03
   0.134E+01 -.772E+00 0.146E+02   -.133E+01 0.767E+00 -.146E+02   0.276E-02 -.159E-02 -.313E-01   0.755E-04 -.418E-04 0.457E-04
   -.322E+01 0.255E+01 0.144E+02   0.323E+01 -.256E+01 -.143E+02   -.150E-02 0.152E-02 -.398E-01   -.578E-04 0.282E-04 -.112E-03
   -.144E+02 -.140E+01 0.201E+02   0.145E+02 0.143E+01 -.201E+02   -.626E-01 -.358E-01 -.737E-02   -.233E-03 0.129E-03 -.921E-04
   -.143E+02 -.115E+02 0.245E+02   0.144E+02 0.116E+02 -.245E+02   -.844E-01 -.650E-01 -.124E-01   -.925E-04 0.157E-03 0.128E-03
   0.299E+01 0.852E+01 0.195E+02   -.303E+01 -.853E+01 -.195E+02   0.213E-01 0.249E-01 -.207E-01   0.514E-04 -.100E-03 0.177E-03
   0.143E+02 0.115E+02 0.245E+02   -.144E+02 -.116E+02 -.245E+02   0.844E-01 0.650E-01 -.124E-01   0.925E-04 -.157E-03 0.128E-03
   0.144E+02 0.140E+01 0.201E+02   -.145E+02 -.143E+01 -.201E+02   0.626E-01 0.358E-01 -.737E-02   0.233E-03 -.129E-03 -.921E-04
   0.322E+01 -.255E+01 0.144E+02   -.323E+01 0.256E+01 -.143E+02   0.150E-02 -.152E-02 -.398E-01   0.577E-04 -.282E-04 -.112E-03
   -.134E+01 0.772E+00 0.146E+02   0.133E+01 -.767E+00 -.146E+02   -.276E-02 0.159E-02 -.313E-01   -.755E-04 0.418E-04 0.457E-04
   -.131E+01 0.123E+02 0.183E+02   0.131E+01 -.123E+02 -.183E+02   -.944E-02 0.286E-01 -.553E-01   -.709E-04 0.138E-04 0.923E-05
   0.879E+01 0.299E+02 0.400E+02   -.894E+01 -.301E+02 -.400E+02   0.136E+00 0.218E+00 -.139E-01   0.130E-03 -.130E-04 0.121E-03
   0.351E+02 0.617E+01 0.463E+02   -.357E+02 -.643E+01 -.466E+02   0.632E+00 0.265E+00 0.355E+00   0.138E-03 -.135E-03 -.268E-04
   0.181E+02 -.105E+02 0.210E+02   -.182E+02 0.105E+02 -.209E+02   0.597E-01 -.344E-01 -.130E+00   0.250E-03 -.148E-03 -.212E-03
   0.381E+01 -.151E+01 0.144E+02   -.383E+01 0.152E+01 -.143E+02   0.207E-02 -.538E-03 -.398E-01   0.504E-04 -.394E-04 -.117E-03
   -.322E+01 0.345E+01 0.164E+02   0.324E+01 -.346E+01 -.164E+02   -.304E-01 0.118E-01 -.306E-02   0.627E-04 -.412E-04 -.126E-03
   -.172E+02 0.208E+02 0.271E+02   0.175E+02 -.209E+02 -.271E+02   -.227E+00 0.149E+00 -.553E-01   -.611E-04 0.133E-04 -.161E-03
   -.266E+02 0.154E+02 0.695E+02   0.276E+02 -.159E+02 -.716E+02   -.981E+00 0.567E+00 0.210E+01   0.440E-04 -.227E-04 0.726E-05
   0.122E+02 -.335E+02 0.463E+02   -.123E+02 0.342E+02 -.466E+02   0.868E-01 -.680E+00 0.355E+00   0.188E-03 -.547E-04 -.299E-04
   0.598E+01 -.132E+02 0.201E+02   -.599E+01 0.132E+02 -.201E+02   0.338E-03 -.721E-01 -.737E-02   0.230E-03 -.138E-03 -.997E-04
   -.705E+00 -.369E+01 0.149E+02   0.703E+00 0.372E+01 -.148E+02   -.109E-01 -.169E-01 -.305E-02   0.251E-03 -.131E-03 -.188E-04
   -.927E+01 0.535E+01 0.155E+02   0.928E+01 -.536E+01 -.155E+02   -.222E-01 0.128E-01 0.144E-02   0.104E-03 -.539E-04 -.166E-03
   -.266E+02 0.456E+01 0.271E+02   0.268E+02 -.467E+01 -.271E+02   -.243E+00 0.122E+00 -.553E-01   -.368E-04 0.518E-04 -.156E-03
   -.215E+02 -.226E+02 0.400E+02   0.216E+02 0.228E+02 -.400E+02   -.121E+00 -.227E+00 -.139E-01   0.815E-04 -.106E-03 0.123E-03
   -.282E+01 -.182E+02 0.245E+02   0.282E+01 0.183E+02 -.245E+02   -.140E-01 -.106E+00 -.124E-01   0.187E-03 -.468E-06 0.125E-03
   0.189E+01 -.109E+01 0.169E+02   -.191E+01 0.110E+01 -.168E+02   0.420E-02 -.243E-02 -.677E-02   0.211E-03 -.119E-03 0.145E-03
   0.285E+01 0.246E+01 0.149E+02   -.287E+01 -.247E+01 -.148E+02   0.916E-02 0.179E-01 -.305E-02   0.241E-03 -.145E-03 -.152E-04
   -.460E+01 0.107E+01 0.164E+02   0.461E+01 -.108E+01 -.164E+02   -.254E-01 0.205E-01 -.306E-02   0.695E-04 -.298E-04 -.118E-03
   -.113E+02 -.502E+01 0.183E+02   0.113E+02 0.504E+01 -.183E+02   -.295E-01 -.612E-02 -.553E-01   -.449E-04 0.526E-04 0.146E-04
   -.588E+01 -.685E+01 0.195E+02   0.588E+01 0.689E+01 -.195E+02   -.109E-01 -.309E-01 -.207E-01   0.115E-03 0.517E-05 0.177E-03
 -----------------------------------------------------------------------------------------------
   -.183E-02 0.318E-03 0.856E+01   -.746E-13 -.675E-13 -.675E-13   -.347E-15 0.271E-15 -.858E+01   0.764E-07 -.430E-07 0.655E-04
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85445      6.06241     12.33159         0.000000      0.000000      0.020418
      2.26173      6.76783     13.65119         0.004351      0.007536      0.009287
      1.44718      5.35700     13.65119        -0.004351     -0.007536      0.009287
      0.00036     -0.00021      9.95759         0.012645     -0.007300     -0.003126
     11.11104      2.14309      9.95942         0.011905     -0.005882     -0.003998
      9.87634      4.28269      9.97085         0.013238     -0.008260     -0.000997
      8.64380      6.42205      9.96975         0.013551     -0.007850     -0.000284
     -4.93318      8.55564      9.96567         0.013485     -0.006991     -0.002478
      2.46966     -0.00025      9.96567         0.012797     -0.008182     -0.002478
      1.23498      2.13697      9.97063         0.012299     -0.011047     -0.003545
     -0.00289      4.27568      9.99840         0.011963     -0.003615      0.004789
     -1.23661      6.41684     10.00443         0.014643     -0.005701      0.003000
     -2.46440      8.55590      9.97805         0.011246     -0.006493     -0.000944
      4.93768      0.00285      9.96975         0.013574     -0.007811     -0.000284
      3.70478      2.13804      9.97749         0.013656     -0.007951      0.001985
      2.47147      4.26457     10.04205         0.011204     -0.004593      0.003213
      1.22986      6.42302     10.11481         0.012142     -0.007010     -0.012082
      0.00198      8.56213     10.00443         0.012259     -0.009831      0.003000
      7.40668      0.00512      9.97085         0.013773     -0.007334     -0.000997
      6.17298      2.14235      9.97092         0.012779     -0.005805     -0.000567
      4.94077      4.28053      9.99898         0.010789     -0.006229     -0.003074
      3.71994      6.42699     10.04205         0.009580     -0.007406      0.003213
      2.47314      8.56429      9.99840         0.009112     -0.008553      0.004789
      9.87698      0.00564      9.95942         0.011047     -0.007369     -0.003998
      8.64191      2.14368      9.96217         0.011840     -0.006836     -0.002504
      7.40860      4.28249      9.97092         0.011416     -0.008164     -0.000567
      6.17822      6.42217      9.97749         0.013714     -0.007851      0.001985
      4.94425      8.56162      9.97063         0.015716     -0.005128     -0.003545
      0.00016      1.42488      9.95942        -0.011047      0.007369     -0.003998
     -1.23534      3.56321      9.97063        -0.015716      0.005128     -0.003545
     -2.46931      5.70265      9.97749        -0.013714      0.007851      0.001985
     -3.69969      7.84233      9.97092        -0.011416      0.008164     -0.000567
     -4.93300      9.98115      9.96217        -0.011840      0.006836     -0.002504
      2.47045      1.42540      9.97085        -0.013773      0.007334     -0.000997
      1.23577      3.56053      9.99840        -0.009112      0.008553      0.004789
     -0.01103      5.69784     10.04205        -0.009580      0.007406      0.003213
     -1.23186      7.84430      9.99898        -0.010789      0.006229     -0.003074
     -2.46407      9.98248      9.97092        -0.012779      0.005805     -0.000567
      4.93946      1.42767      9.96975        -0.013574      0.007811     -0.000284
      3.70693      3.56269     10.00443        -0.012259      0.009831      0.003000
      2.47905      5.70180     10.11481        -0.012142      0.007010     -0.012082
      1.23744      7.86026     10.04205        -0.011204      0.004593      0.003213
      0.00413      9.98678      9.97749        -0.013656      0.007951      0.001985
      7.40747      1.43077      9.96567        -0.012797      0.008182     -0.002478
      6.17331      3.56892      9.97805        -0.011246      0.006493     -0.000944
      4.94552      5.70798     10.00443        -0.014643      0.005701      0.003000
      3.71180      7.84915      9.99840        -0.011963      0.003615      0.004789
      2.47393      9.98786      9.97063        -0.012299      0.011047     -0.003545
      9.87678      1.43072      9.95759        -0.012645      0.007300     -0.003126
      8.64209      3.56918      9.96567        -0.013485      0.006991     -0.002478
      7.41076      5.70809      9.96975        -0.013551      0.007850     -0.000284
      6.17823      7.84745      9.97085        -0.013238      0.008260     -0.000997
      4.94353      9.98705      9.95942        -0.011905      0.005882     -0.003998
 -----------------------------------------------------------------------------------
    total drift:                               -0.001832      0.000318     -0.014479


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




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


    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  189.31: CPU time   95.11
     LOOP+:  VPU time 5023.36: CPU time 2581.56


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


    POTLOK:  VPU time    9.24: CPU time    9.15
    SETDIJ:  VPU time    0.35: CPU time    0.34
    EDDAV :  VPU time 1833.95: CPU time  947.64
 BZINTS: Fermi energy: -3.155956;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  113.93: CPU time   57.61
    MIXING:  VPU time    0.15: CPU time    0.15
    ------------------------------------------
      LOOP:  VPU time 1957.70: CPU time 1014.92

 eigenvalue-minimisations  :  6016
 total energy-change (2. order) :-0.4716448E+03  (-0.4213399E-02)
 number of electron  212.0000029 magnetization    0.0000000
 augmentation part     7.9603409 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.99850E-02    rms(broyden)= 0.99828E-02
  rms(prec ) = 0.10709E-01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34045.76160150
  -1/2 Hartree   DENC   =    -40945.59653777
  -V(xc)+E(xc)   XCENC  =       726.60335285
  PAW double counting   =      4092.76644450    -4131.15181688
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.46767695
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64477915 eV

  energy without entropy =     -471.64477915  energy(sigma->0) =     -471.64477915


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




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


    POTLOK:  VPU time    9.07: CPU time    9.07
    SETDIJ:  VPU time    0.35: CPU time    0.34
    EDDAV :  VPU time 1977.92: CPU time 1018.27
 BZINTS: Fermi energy: -3.080784;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  114.20: CPU time   57.63
    MIXING:  VPU time    0.18: CPU time    0.18
    ------------------------------------------
      LOOP:  VPU time 2101.77: CPU time 1085.53

 eigenvalue-minimisations  :  6712
 total energy-change (2. order) : 0.1797609E-03  (-0.1050633E-03)
 number of electron  212.0000029 magnetization    0.0000000
 augmentation part     7.9603111 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.55435E-02    rms(broyden)= 0.55432E-02
  rms(prec ) = 0.59381E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.0774
  2.0774

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34045.76160150
  -1/2 Hartree   DENC   =    -40945.66505685
  -V(xc)+E(xc)   XCENC  =       726.60653138
  PAW double counting   =      4092.85249057    -4131.23759434
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.40242524
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64459939 eV

  energy without entropy =     -471.64459939  energy(sigma->0) =     -471.64459939


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




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


    POTLOK:  VPU time    9.02: CPU time    9.02
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1590.72: CPU time  825.08
 BZINTS: Fermi energy: -3.156390;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  115.57: CPU time   58.55
    MIXING:  VPU time    0.19: CPU time    0.19
    ------------------------------------------
      LOOP:  VPU time 1715.91: CPU time  893.21

 eigenvalue-minimisations  :  4928
 total energy-change (2. order) : 0.1037473E-03  (-0.2717190E-04)
 number of electron  212.0000029 magnetization    0.0000000
 augmentation part     7.9602076 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.52986E-03    rms(broyden)= 0.52951E-03
  rms(prec ) = 0.57405E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5587
  2.1319  0.9855

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34045.76160150
  -1/2 Hartree   DENC   =    -40945.76866849
  -V(xc)+E(xc)   XCENC  =       726.61039703
  PAW double counting   =      4092.96668869    -4131.35106288
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.30330509
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64449564 eV

  energy without entropy =     -471.64449564  energy(sigma->0) =     -471.64449564


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




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


    POTLOK:  VPU time    9.16: CPU time    9.16
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1423.96: CPU time  737.22
 BZINTS: Fermi energy: -3.156288;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1433.52: CPU time  746.75

 eigenvalue-minimisations  :  4240
 total energy-change (2. order) :-0.4595880E-05  (-0.4599078E-05)
 number of electron  212.0000029 magnetization    0.0000000
 augmentation part     7.9602076 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34045.76160150
  -1/2 Hartree   DENC   =    -40945.78407519
  -V(xc)+E(xc)   XCENC  =       726.61067644
  PAW double counting   =      4092.97539639    -4131.35963595
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.28831702
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64450024 eV

  energy without entropy =     -471.64450024  energy(sigma->0) =     -471.64450024


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




 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 -58.5406       2 -39.9861       3 -39.9861       4 -58.2443       5 -58.2488
       6 -58.2560       7 -58.2470       8 -58.2449       9 -58.2449      10 -58.2609
      11 -58.3160      12 -58.2927      13 -58.2501      14 -58.2470      15 -58.2581
      16 -58.4381      17 -58.7319      18 -58.2927      19 -58.2560      20 -58.2504
      21 -58.2776      22 -58.4381      23 -58.3160      24 -58.2488      25 -58.2436
      26 -58.2504      27 -58.2581      28 -58.2609      29 -58.2487      30 -58.2608
      31 -58.2580      32 -58.2503      33 -58.2435      34 -58.2559      35 -58.3159
      36 -58.4380      37 -58.2775      38 -58.2503      39 -58.2469      40 -58.2926
      41 -58.7317      42 -58.4380      43 -58.2580      44 -58.2448      45 -58.2499
      46 -58.2926      47 -58.3159      48 -58.2608      49 -58.2442      50 -58.2448
      51 -58.2469      52 -58.2559      53 -58.2488
 
 
 
 E-fermi :  -3.1563     XC(G=0):  -2.3453     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     -22.3565      1.00000
      2     -21.5370      1.00000
      3     -21.4073      1.00000
      4     -21.4056      1.00000
      5     -21.3744      1.00000
      6     -21.3660      1.00000
      7     -21.3585      1.00000
      8     -19.6461      1.00000
      9     -19.5734      1.00000
     10     -19.5637      1.00000
     11     -19.5596      1.00000
     12     -19.5406      1.00000
     13     -19.5364      1.00000
     14     -18.7277      1.00000
     15     -18.6822      1.00000
     16     -18.6710      1.00000
     17     -18.6575      1.00000
     18     -18.6429      1.00000
     19     -18.6421      1.00000
     20     -16.5840      1.00000
     21     -16.5301      1.00000
     22     -16.5248      1.00000
     23     -16.5085      1.00000
     24     -16.4884      1.00000
     25     -16.4841      1.00000
     26     -15.5596      1.00000
     27     -15.5255      1.00000
     28     -15.5248      1.00000
     29     -15.4995      1.00000
     30     -15.4961      1.00000
     31     -15.4885      1.00000
     32     -14.2079      1.00000
     33     -14.1811      1.00000
     34     -14.1649      1.00000
     35     -14.1630      1.00000
     36     -14.1617      1.00000
     37     -14.1493      1.00000
     38     -11.8850      1.00000
     39     -11.8080      1.00000
     40     -11.7922      1.00000
     41     -11.7916      1.00000
     42     -11.7889      1.00000
     43     -11.7833      1.00000
     44     -11.7028      1.00000
     45     -11.7002      1.00000
     46     -11.6758      1.00000
     47     -11.6573      1.00000
     48     -11.6536      1.00000
     49     -11.6518      1.00000
     50     -10.6752      1.00000
     51     -10.3300      1.00000
     52     -10.3208      1.00000
     53     -10.3055      1.00000
     54     -10.3050      1.00000
     55     -10.2899      1.00000
     56     -10.2775      1.00000
     57      -9.9291      1.00000
     58      -9.3733      1.00000
     59      -9.3588      1.00000
     60      -9.2998      1.00000
     61      -9.2923      1.00000
     62      -9.2852      1.00000
     63      -9.0957      1.00000
     64      -9.0529      1.00000
     65      -9.0461      1.00000
     66      -9.0237      1.00000
     67      -9.0118      1.00000
     68      -9.0053      1.00000
     69      -9.0046      1.00000
     70      -8.9933      1.00000
     71      -8.9874      1.00000
     72      -8.9744      1.00000
     73      -8.9618      1.00000
     74      -8.9540      1.00000
     75      -8.5020      1.00000
     76      -7.5136      1.00000
     77      -7.4134      1.00000
     78      -7.4077      1.00000
     79      -7.4021      1.00000
     80      -7.3864      1.00000
     81      -7.3678      1.00000
     82      -7.3414      1.00000
     83      -7.3043      1.00000
     84      -7.2690      1.00000
     85      -7.2074      1.00000
     86      -7.1799      1.00000
     87      -7.1796      1.00000
     88      -7.0749      1.00000
     89      -6.5113      1.00000
     90      -6.4607      1.00000
     91      -6.3542      1.00000
     92      -6.2925      1.00000
     93      -6.2896      1.00000
     94      -6.2859      1.00000
     95      -5.9038      1.00000
     96      -5.8783      1.00000
     97      -5.0511      1.00000
     98      -4.9375      1.00000
     99      -4.5399      1.00000
    100      -4.3391      1.00000
    101      -4.3192      1.00000
    102      -4.3164      1.00000
    103      -4.1149      1.00000
    104      -3.9129      1.00000
    105      -3.9027      1.00000
    106      -3.8345      1.00000
    107      -1.6805      0.00000
    108      -1.6685      0.00000
    109      -1.5370      0.00000
    110      -1.5368      0.00000
    111      -1.5216      0.00000
    112      -1.5089      0.00000
    113      -0.5833      0.00000
    114       0.1312      0.00000
    115       0.2071      0.00000
    116       0.3209      0.00000
    117       0.3286      0.00000
    118       0.3353      0.00000
    119       0.4978      0.00000
    120       0.5940      0.00000
    121       1.2585      0.00000
    122       1.2714      0.00000
    123       1.5249      0.00000
    124       1.7959      0.00000
    125       1.8015      0.00000
    126       1.8058      0.00000
    127       1.8095      0.00000
    128       1.9460      0.00000
    129       1.9785      0.00000
    130       2.0322      0.00000
    131       2.0453      0.00000
    132       2.0501      0.00000
    133       2.0541      0.00000
    134       2.0595      0.00000
    135       2.3044      0.00000
    136       2.3245      0.00000
    137       2.6068      0.00000
    138       2.6166      0.00000
    139       2.6421      0.00000
    140       2.7227      0.00000
    141       2.8597      0.00000
    142       3.0259      0.00000
    143       3.0577      0.00000
    144       3.0795      0.00000
    145       3.0985      0.00000
    146       3.0998      0.00000
    147       3.1063      0.00000
    148       3.2291      0.00000
    149       3.4492      0.00000
    150       3.5377      0.00000
    151       3.7873      0.00000
    152       3.9391      0.00000
    153       3.9414      0.00000
    154       3.9590      0.00000
    155       3.9595      0.00000
    156       3.9977      0.00000
    157       4.1778      0.00000
    158       4.2660      0.00000
    159       4.2853      0.00000
    160       4.2862      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3199      1.00000
      2     -21.7612      1.00000
      3     -21.5708      1.00000
      4     -21.5379      1.00000
      5     -21.2079      1.00000
      6     -21.1628      1.00000
      7     -20.9867      1.00000
      8     -20.1015      1.00000
      9     -20.0572      1.00000
     10     -19.5472      1.00000
     11     -19.5225      1.00000
     12     -19.3481      1.00000
     13     -19.0243      1.00000
     14     -18.9909      1.00000
     15     -18.9809      1.00000
     16     -18.9689      1.00000
     17     -18.2978      1.00000
     18     -18.2787      1.00000
     19     -17.9504      1.00000
     20     -17.0082      1.00000
     21     -16.9582      1.00000
     22     -16.8761      1.00000
     23     -16.8719      1.00000
     24     -16.4055      1.00000
     25     -16.3929      1.00000
     26     -15.5539      1.00000
     27     -15.5361      1.00000
     28     -15.1980      1.00000
     29     -15.1676      1.00000
     30     -15.1130      1.00000
     31     -15.0261      1.00000
     32     -15.0022      1.00000
     33     -14.6385      1.00000
     34     -14.6246      1.00000
     35     -13.6695      1.00000
     36     -13.6517      1.00000
     37     -13.1672      1.00000
     38     -12.5495      1.00000
     39     -12.5178      1.00000
     40     -12.3914      1.00000
     41     -12.3752      1.00000
     42     -12.0580      1.00000
     43     -12.0343      1.00000
     44     -11.6624      1.00000
     45     -11.6201      1.00000
     46     -11.1834      1.00000
     47     -11.1561      1.00000
     48     -10.9659      1.00000
     49     -10.9366      1.00000
     50     -10.8754      1.00000
     51     -10.8389      1.00000
     52     -10.6035      1.00000
     53     -10.0963      1.00000
     54     -10.0838      1.00000
     55     -10.0462      1.00000
     56      -9.9694      1.00000
     57      -9.6557      1.00000
     58      -9.6259      1.00000
     59      -9.5927      1.00000
     60      -9.5283      1.00000
     61      -9.5163      1.00000
     62      -9.4781      1.00000
     63      -9.2650      1.00000
     64      -9.2378      1.00000
     65      -9.2205      1.00000
     66      -9.1701      1.00000
     67      -9.0681      1.00000
     68      -9.0464      1.00000
     69      -9.0379      1.00000
     70      -8.8827      1.00000
     71      -8.8104      1.00000
     72      -8.5818      1.00000
     73      -8.5213      1.00000
     74      -8.4638      1.00000
     75      -8.0320      1.00000
     76      -7.8124      1.00000
     77      -7.8068      1.00000
     78      -7.7958      1.00000
     79      -7.7008      1.00000
     80      -7.6871      1.00000
     81      -7.3638      1.00000
     82      -7.2728      1.00000
     83      -7.2656      1.00000
     84      -7.2154      1.00000
     85      -7.1726      1.00000
     86      -7.0079      1.00000
     87      -6.9510      1.00000
     88      -6.7482      1.00000
     89      -6.6726      1.00000
     90      -6.5942      1.00000
     91      -6.5587      1.00000
     92      -6.0511      1.00000
     93      -6.0471      1.00000
     94      -6.0218      1.00000
     95      -5.9598      1.00000
     96      -5.7355      1.00000
     97      -5.1586      1.00000
     98      -4.9901      1.00000
     99      -4.7180      1.00000
    100      -4.6107      1.00000
    101      -4.4407      1.00000
    102      -4.3737      1.00000
    103      -4.1225      1.00000
    104      -3.8683      1.00000
    105      -3.8344      1.00000
    106      -3.7919      1.00000
    107      -1.7854      0.00000
    108      -1.7380      0.00000
    109      -1.3936      0.00000
    110      -1.3480      0.00000
    111      -1.2638      0.00000
    112      -1.2258      0.00000
    113      -0.7433      0.00000
    114      -0.3776      0.00000
    115      -0.2237      0.00000
    116      -0.0167      0.00000
    117       0.5885      0.00000
    118       0.7344      0.00000
    119       0.7644      0.00000
    120       1.0501      0.00000
    121       1.1415      0.00000
    122       1.2511      0.00000
    123       1.2708      0.00000
    124       1.4131      0.00000
    125       1.4776      0.00000
    126       1.5835      0.00000
    127       1.7571      0.00000
    128       1.8391      0.00000
    129       1.8951      0.00000
    130       1.9587      0.00000
    131       2.1063      0.00000
    132       2.2329      0.00000
    133       2.2476      0.00000
    134       2.2926      0.00000
    135       2.4863      0.00000
    136       2.6127      0.00000
    137       2.6369      0.00000
    138       2.7639      0.00000
    139       2.7974      0.00000
    140       2.8572      0.00000
    141       2.8672      0.00000
    142       2.8921      0.00000
    143       2.9583      0.00000
    144       3.0790      0.00000
    145       3.2789      0.00000
    146       3.3026      0.00000
    147       3.3759      0.00000
    148       3.4090      0.00000
    149       3.4636      0.00000
    150       3.5860      0.00000
    151       3.6388      0.00000
    152       3.6710      0.00000
    153       3.7060      0.00000
    154       3.9029      0.00000
    155       3.9391      0.00000
    156       3.9796      0.00000
    157       4.0808      0.00000
    158       4.2007      0.00000
    159       4.2422      0.00000
    160       4.2944      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2142      1.00000
      2     -22.0078      1.00000
      3     -21.6496      1.00000
      4     -21.6123      1.00000
      5     -20.9131      1.00000
      6     -20.8665      1.00000
      7     -20.5457      1.00000
      8     -20.5055      1.00000
      9     -20.4959      1.00000
     10     -19.9628      1.00000
     11     -19.4433      1.00000
     12     -19.4163      1.00000
     13     -19.2426      1.00000
     14     -19.2280      1.00000
     15     -18.3833      1.00000
     16     -18.3390      1.00000
     17     -17.8600      1.00000
     18     -17.8398      1.00000
     19     -17.6970      1.00000
     20     -17.6541      1.00000
     21     -17.3715      1.00000
     22     -17.3573      1.00000
     23     -17.2723      1.00000
     24     -16.4032      1.00000
     25     -16.3886      1.00000
     26     -15.8954      1.00000
     27     -15.3552      1.00000
     28     -15.3374      1.00000
     29     -15.0375      1.00000
     30     -15.0208      1.00000
     31     -14.7990      1.00000
     32     -14.7734      1.00000
     33     -14.2201      1.00000
     34     -14.1891      1.00000
     35     -13.3690      1.00000
     36     -13.3368      1.00000
     37     -13.1216      1.00000
     38     -13.1022      1.00000
     39     -12.9161      1.00000
     40     -12.9016      1.00000
     41     -12.5581      1.00000
     42     -12.5384      1.00000
     43     -12.1306      1.00000
     44     -11.5250      1.00000
     45     -11.4769      1.00000
     46     -11.2561      1.00000
     47     -11.2226      1.00000
     48     -11.0769      1.00000
     49     -10.6625      1.00000
     50     -10.5884      1.00000
     51     -10.5256      1.00000
     52     -10.2548      1.00000
     53     -10.2479      1.00000
     54     -10.1239      1.00000
     55     -10.0508      1.00000
     56     -10.0416      1.00000
     57      -9.7713      1.00000
     58      -9.6984      1.00000
     59      -9.6834      1.00000
     60      -9.6344      1.00000
     61      -9.6187      1.00000
     62      -9.5880      1.00000
     63      -9.2970      1.00000
     64      -9.2799      1.00000
     65      -9.2577      1.00000
     66      -9.0902      1.00000
     67      -8.8918      1.00000
     68      -8.8853      1.00000
     69      -8.7250      1.00000
     70      -8.5903      1.00000
     71      -8.5181      1.00000
     72      -8.3302      1.00000
     73      -8.3029      1.00000
     74      -8.2652      1.00000
     75      -8.2317      1.00000
     76      -8.1958      1.00000
     77      -8.1865      1.00000
     78      -8.1739      1.00000
     79      -8.1034      1.00000
     80      -7.6882      1.00000
     81      -7.3562      1.00000
     82      -7.3105      1.00000
     83      -7.2629      1.00000
     84      -7.1859      1.00000
     85      -7.1251      1.00000
     86      -7.0772      1.00000
     87      -6.9084      1.00000
     88      -6.8829      1.00000
     89      -6.5528      1.00000
     90      -6.4896      1.00000
     91      -6.2130      1.00000
     92      -6.0705      1.00000
     93      -5.9415      1.00000
     94      -5.7170      1.00000
     95      -5.6324      1.00000
     96      -5.4524      1.00000
     97      -5.3060      1.00000
     98      -5.2326      1.00000
     99      -5.1529      1.00000
    100      -5.1503      1.00000
    101      -4.5241      1.00000
    102      -4.4707      1.00000
    103      -4.1440      1.00000
    104      -3.8375      1.00000
    105      -3.7579      1.00000
    106      -3.6806      1.00000
    107      -1.8707      0.00000
    108      -1.8235      0.00000
    109      -1.2755      0.00000
    110      -1.0388      0.00000
    111      -1.0109      0.00000
    112      -0.7110      0.00000
    113      -0.6425      0.00000
    114      -0.5879      0.00000
    115      -0.5459      0.00000
    116      -0.2007      0.00000
    117       0.2532      0.00000
    118       0.2788      0.00000
    119       0.7591      0.00000
    120       0.9446      0.00000
    121       1.1300      0.00000
    122       1.2262      0.00000
    123       1.3198      0.00000
    124       1.4105      0.00000
    125       1.5987      0.00000
    126       1.6327      0.00000
    127       1.6983      0.00000
    128       1.8252      0.00000
    129       1.9173      0.00000
    130       2.0084      0.00000
    131       2.1062      0.00000
    132       2.3312      0.00000
    133       2.3966      0.00000
    134       2.4299      0.00000
    135       2.5394      0.00000
    136       2.6337      0.00000
    137       2.7569      0.00000
    138       2.8222      0.00000
    139       2.8308      0.00000
    140       2.8872      0.00000
    141       3.0412      0.00000
    142       3.0885      0.00000
    143       3.1835      0.00000
    144       3.2375      0.00000
    145       3.3840      0.00000
    146       3.4217      0.00000
    147       3.4790      0.00000
    148       3.5747      0.00000
    149       3.5993      0.00000
    150       3.6254      0.00000
    151       3.6507      0.00000
    152       3.7415      0.00000
    153       3.7712      0.00000
    154       3.7850      0.00000
    155       3.8069      0.00000
    156       3.8943      0.00000
    157       3.9734      0.00000
    158       4.0051      0.00000
    159       4.1721      0.00000
    160       4.2380      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2480      1.00000
      2     -21.8937      1.00000
      3     -21.8230      1.00000
      4     -21.3122      1.00000
      5     -21.2820      1.00000
      6     -20.7697      1.00000
      7     -20.7038      1.00000
      8     -20.5549      1.00000
      9     -20.0098      1.00000
     10     -20.0028      1.00000
     11     -19.6472      1.00000
     12     -19.6229      1.00000
     13     -18.9297      1.00000
     14     -18.9216      1.00000
     15     -18.5732      1.00000
     16     -18.5588      1.00000
     17     -18.3911      1.00000
     18     -17.6123      1.00000
     19     -17.5564      1.00000
     20     -17.5509      1.00000
     21     -17.5090      1.00000
     22     -17.0572      1.00000
     23     -17.0389      1.00000
     24     -16.8959      1.00000
     25     -15.9333      1.00000
     26     -15.8691      1.00000
     27     -15.5155      1.00000
     28     -15.5142      1.00000
     29     -15.2277      1.00000
     30     -14.7950      1.00000
     31     -14.7673      1.00000
     32     -14.5119      1.00000
     33     -14.4678      1.00000
     34     -14.1059      1.00000
     35     -14.0949      1.00000
     36     -13.0773      1.00000
     37     -13.0296      1.00000
     38     -12.9630      1.00000
     39     -12.9509      1.00000
     40     -12.6419      1.00000
     41     -12.6357      1.00000
     42     -12.2765      1.00000
     43     -12.2451      1.00000
     44     -11.5920      1.00000
     45     -11.5655      1.00000
     46     -11.5083      1.00000
     47     -10.9076      1.00000
     48     -10.8540      1.00000
     49     -10.6214      1.00000
     50     -10.5568      1.00000
     51     -10.4840      1.00000
     52     -10.4375      1.00000
     53     -10.4271      1.00000
     54     -10.3696      1.00000
     55     -10.2859      1.00000
     56     -10.0656      1.00000
     57      -9.8332      1.00000
     58      -9.5403      1.00000
     59      -9.4800      1.00000
     60      -9.4731      1.00000
     61      -9.3505      1.00000
     62      -9.3318      1.00000
     63      -9.3041      1.00000
     64      -9.3036      1.00000
     65      -9.2151      1.00000
     66      -9.1162      1.00000
     67      -9.0861      1.00000
     68      -9.0521      1.00000
     69      -8.8502      1.00000
     70      -8.7977      1.00000
     71      -8.7776      1.00000
     72      -8.5263      1.00000
     73      -8.4754      1.00000
     74      -8.2232      1.00000
     75      -8.1133      1.00000
     76      -8.1029      1.00000
     77      -7.8081      1.00000
     78      -7.7798      1.00000
     79      -7.7760      1.00000
     80      -7.6742      1.00000
     81      -7.6290      1.00000
     82      -7.6290      1.00000
     83      -7.4008      1.00000
     84      -7.3244      1.00000
     85      -7.2006      1.00000
     86      -6.8412      1.00000
     87      -6.8322      1.00000
     88      -6.6634      1.00000
     89      -6.5388      1.00000
     90      -6.3405      1.00000
     91      -6.3077      1.00000
     92      -6.1864      1.00000
     93      -6.1530      1.00000
     94      -5.9762      1.00000
     95      -5.5714      1.00000
     96      -5.4248      1.00000
     97      -5.2571      1.00000
     98      -5.2531      1.00000
     99      -5.1475      1.00000
    100      -4.6972      1.00000
    101      -4.6649      1.00000
    102      -4.3493      1.00000
    103      -4.3169      1.00000
    104      -3.9651      1.00000
    105      -3.8309      1.00000
    106      -3.3911      1.00000
    107      -2.2197      0.00000
    108      -1.3771      0.00000
    109      -1.2873      0.00000
    110      -1.1724      0.00000
    111      -1.0769      0.00000
    112      -0.8926      0.00000
    113      -0.7676      0.00000
    114      -0.7565      0.00000
    115      -0.2163      0.00000
    116       0.1105      0.00000
    117       0.2602      0.00000
    118       0.3458      0.00000
    119       0.7329      0.00000
    120       0.9044      0.00000
    121       0.9725      0.00000
    122       1.0938      0.00000
    123       1.2072      0.00000
    124       1.5285      0.00000
    125       1.5595      0.00000
    126       1.7150      0.00000
    127       1.8399      0.00000
    128       1.8639      0.00000
    129       1.9679      0.00000
    130       1.9949      0.00000
    131       2.1584      0.00000
    132       2.2650      0.00000
    133       2.4531      0.00000
    134       2.4713      0.00000
    135       2.5072      0.00000
    136       2.6634      0.00000
    137       2.6841      0.00000
    138       2.7311      0.00000
    139       2.7442      0.00000
    140       2.8887      0.00000
    141       3.0221      0.00000
    142       3.0804      0.00000
    143       3.1941      0.00000
    144       3.2551      0.00000
    145       3.2583      0.00000
    146       3.2675      0.00000
    147       3.3598      0.00000
    148       3.4779      0.00000
    149       3.5269      0.00000
    150       3.6948      0.00000
    151       3.7516      0.00000
    152       3.7713      0.00000
    153       3.8327      0.00000
    154       3.8767      0.00000
    155       3.9398      0.00000
    156       3.9834      0.00000
    157       4.0264      0.00000
    158       4.0517      0.00000
    159       4.0554      0.00000
    160       4.1051      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1420      1.00000
      2     -22.0467      1.00000
      3     -21.8868      1.00000
      4     -21.3350      1.00000
      5     -20.9817      1.00000
      6     -20.9430      1.00000
      7     -20.4335      1.00000
      8     -20.3907      1.00000
      9     -20.2259      1.00000
     10     -20.2045      1.00000
     11     -19.8897      1.00000
     12     -19.8222      1.00000
     13     -18.8159      1.00000
     14     -18.7449      1.00000
     15     -18.2888      1.00000
     16     -18.2355      1.00000
     17     -18.0857      1.00000
     18     -18.0661      1.00000
     19     -17.7605      1.00000
     20     -17.7185      1.00000
     21     -17.1872      1.00000
     22     -17.1734      1.00000
     23     -17.0974      1.00000
     24     -17.0654      1.00000
     25     -16.0370      1.00000
     26     -15.8249      1.00000
     27     -15.7996      1.00000
     28     -15.7668      1.00000
     29     -15.1724      1.00000
     30     -14.4935      1.00000
     31     -14.4595      1.00000
     32     -14.2170      1.00000
     33     -13.8923      1.00000
     34     -13.8896      1.00000
     35     -13.7544      1.00000
     36     -13.7368      1.00000
     37     -13.5521      1.00000
     38     -13.5033      1.00000
     39     -13.2996      1.00000
     40     -12.5637      1.00000
     41     -12.1266      1.00000
     42     -12.0664      1.00000
     43     -12.0117      1.00000
     44     -11.9533      1.00000
     45     -11.6082      1.00000
     46     -11.5855      1.00000
     47     -11.0885      1.00000
     48     -11.0526      1.00000
     49     -10.7564      1.00000
     50     -10.6677      1.00000
     51     -10.5280      1.00000
     52     -10.1445      1.00000
     53     -10.1388      1.00000
     54     -10.0956      1.00000
     55      -9.9545      1.00000
     56      -9.9446      1.00000
     57      -9.9164      1.00000
     58      -9.7418      1.00000
     59      -9.7230      1.00000
     60      -9.7040      1.00000
     61      -9.6890      1.00000
     62      -9.4318      1.00000
     63      -9.3662      1.00000
     64      -9.0880      1.00000
     65      -9.0030      1.00000
     66      -8.9753      1.00000
     67      -8.8893      1.00000
     68      -8.8112      1.00000
     69      -8.6589      1.00000
     70      -8.6301      1.00000
     71      -8.5804      1.00000
     72      -8.4816      1.00000
     73      -8.4716      1.00000
     74      -8.3995      1.00000
     75      -8.3923      1.00000
     76      -8.1842      1.00000
     77      -8.1147      1.00000
     78      -7.9768      1.00000
     79      -7.9155      1.00000
     80      -7.8455      1.00000
     81      -7.6191      1.00000
     82      -7.5308      1.00000
     83      -7.4714      1.00000
     84      -7.2580      1.00000
     85      -6.9328      1.00000
     86      -6.8550      1.00000
     87      -6.8089      1.00000
     88      -6.5764      1.00000
     89      -6.4694      1.00000
     90      -6.4232      1.00000
     91      -6.3574      1.00000
     92      -6.0526      1.00000
     93      -5.8779      1.00000
     94      -5.7539      1.00000
     95      -5.7204      1.00000
     96      -5.4779      1.00000
     97      -5.3460      1.00000
     98      -5.1798      1.00000
     99      -5.1555      1.00000
    100      -5.1546      1.00000
    101      -4.7088      1.00000
    102      -4.4410      1.00000
    103      -4.2569      1.00000
    104      -3.9967      1.00000
    105      -3.8297      1.00000
    106      -3.1568      1.00000
    107      -2.4626      0.00000
    108      -1.3771      0.00000
    109      -1.2428      0.00000
    110      -1.1452      0.00000
    111      -1.1154      0.00000
    112      -0.5623      0.00000
    113      -0.4349      0.00000
    114      -0.4293      0.00000
    115      -0.3125      0.00000
    116      -0.1894      0.00000
    117       0.0627      0.00000
    118       0.1182      0.00000
    119       0.5388      0.00000
    120       0.6843      0.00000
    121       0.8700      0.00000
    122       0.9668      0.00000
    123       1.1094      0.00000
    124       1.4943      0.00000
    125       1.6609      0.00000
    126       1.7977      0.00000
    127       1.8740      0.00000
    128       2.0901      0.00000
    129       2.1374      0.00000
    130       2.1963      0.00000
    131       2.2157      0.00000
    132       2.3395      0.00000
    133       2.3631      0.00000
    134       2.4877      0.00000
    135       2.5814      0.00000
    136       2.6668      0.00000
    137       2.8786      0.00000
    138       2.9390      0.00000
    139       2.9653      0.00000
    140       2.9894      0.00000
    141       3.0420      0.00000
    142       3.1483      0.00000
    143       3.1832      0.00000
    144       3.2456      0.00000
    145       3.2901      0.00000
    146       3.3310      0.00000
    147       3.3467      0.00000
    148       3.3786      0.00000
    149       3.4059      0.00000
    150       3.4940      0.00000
    151       3.5496      0.00000
    152       3.6298      0.00000
    153       3.6953      0.00000
    154       3.7070      0.00000
    155       3.7249      0.00000
    156       3.9176      0.00000
    157       3.9352      0.00000
    158       4.0555      0.00000
    159       4.0870      0.00000
    160       4.1977      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2479      1.00000
      2     -21.8952      1.00000
      3     -21.8215      1.00000
      4     -21.3161      1.00000
      5     -21.2771      1.00000
      6     -20.7719      1.00000
      7     -20.7030      1.00000
      8     -20.5552      1.00000
      9     -20.0222      1.00000
     10     -19.9898      1.00000
     11     -19.6506      1.00000
     12     -19.6195      1.00000
     13     -18.9431      1.00000
     14     -18.9084      1.00000
     15     -18.5828      1.00000
     16     -18.5454      1.00000
     17     -18.3935      1.00000
     18     -17.6022      1.00000
     19     -17.5737      1.00000
     20     -17.5418      1.00000
     21     -17.5099      1.00000
     22     -17.0736      1.00000
     23     -17.0272      1.00000
     24     -16.8979      1.00000
     25     -15.9435      1.00000
     26     -15.8503      1.00000
     27     -15.5347      1.00000
     28     -15.5063      1.00000
     29     -15.2097      1.00000
     30     -14.8141      1.00000
     31     -14.7608      1.00000
     32     -14.5112      1.00000
     33     -14.4696      1.00000
     34     -14.0931      1.00000
     35     -14.0921      1.00000
     36     -13.1047      1.00000
     37     -13.0310      1.00000
     38     -12.9600      1.00000
     39     -12.9501      1.00000
     40     -12.6583      1.00000
     41     -12.6281      1.00000
     42     -12.2741      1.00000
     43     -12.2447      1.00000
     44     -11.5703      1.00000
     45     -11.5518      1.00000
     46     -11.4998      1.00000
     47     -10.8818      1.00000
     48     -10.8625      1.00000
     49     -10.6842      1.00000
     50     -10.5299      1.00000
     51     -10.5181      1.00000
     52     -10.4296      1.00000
     53     -10.4157      1.00000
     54     -10.3708      1.00000
     55     -10.2917      1.00000
     56     -10.0613      1.00000
     57      -9.8320      1.00000
     58      -9.5625      1.00000
     59      -9.4888      1.00000
     60      -9.4466      1.00000
     61      -9.3477      1.00000
     62      -9.3433      1.00000
     63      -9.3112      1.00000
     64      -9.3046      1.00000
     65      -9.2055      1.00000
     66      -9.0972      1.00000
     67      -9.0658      1.00000
     68      -9.0479      1.00000
     69      -8.8530      1.00000
     70      -8.7887      1.00000
     71      -8.7809      1.00000
     72      -8.5277      1.00000
     73      -8.4978      1.00000
     74      -8.2291      1.00000
     75      -8.1260      1.00000
     76      -8.0932      1.00000
     77      -7.8090      1.00000
     78      -7.7702      1.00000
     79      -7.7397      1.00000
     80      -7.7030      1.00000
     81      -7.6407      1.00000
     82      -7.6222      1.00000
     83      -7.3880      1.00000
     84      -7.3458      1.00000
     85      -7.2197      1.00000
     86      -6.8458      1.00000
     87      -6.8161      1.00000
     88      -6.6412      1.00000
     89      -6.5287      1.00000
     90      -6.3447      1.00000
     91      -6.2720      1.00000
     92      -6.1947      1.00000
     93      -6.1289      1.00000
     94      -6.0222      1.00000
     95      -5.6397      1.00000
     96      -5.5083      1.00000
     97      -5.2990      1.00000
     98      -5.1570      1.00000
     99      -5.0397      1.00000
    100      -4.7279      1.00000
    101      -4.6845      1.00000
    102      -4.3670      1.00000
    103      -4.1866      1.00000
    104      -4.0098      1.00000
    105      -3.8292      1.00000
    106      -3.4831      1.00000
    107      -2.1647      0.00000
    108      -1.3819      0.00000
    109      -1.2362      0.00000
    110      -1.1851      0.00000
    111      -1.0127      0.00000
    112      -0.9585      0.00000
    113      -0.7981      0.00000
    114      -0.7525      0.00000
    115      -0.3637      0.00000
    116       0.2464      0.00000
    117       0.2778      0.00000
    118       0.3651      0.00000
    119       0.6988      0.00000
    120       0.8675      0.00000
    121       0.9657      0.00000
    122       1.1249      0.00000
    123       1.2344      0.00000
    124       1.4549      0.00000
    125       1.5523      0.00000
    126       1.7811      0.00000
    127       1.8495      0.00000
    128       1.8838      0.00000
    129       1.9828      0.00000
    130       2.0293      0.00000
    131       2.1979      0.00000
    132       2.2099      0.00000
    133       2.3999      0.00000
    134       2.4519      0.00000
    135       2.5576      0.00000
    136       2.6589      0.00000
    137       2.6858      0.00000
    138       2.7261      0.00000
    139       2.7664      0.00000
    140       2.8532      0.00000
    141       2.9643      0.00000
    142       3.0792      0.00000
    143       3.1915      0.00000
    144       3.2397      0.00000
    145       3.2555      0.00000
    146       3.2944      0.00000
    147       3.3290      0.00000
    148       3.4800      0.00000
    149       3.5051      0.00000
    150       3.7090      0.00000
    151       3.7197      0.00000
    152       3.7693      0.00000
    153       3.8592      0.00000
    154       3.8745      0.00000
    155       3.8972      0.00000
    156       3.9967      0.00000
    157       3.9990      0.00000
    158       4.0503      0.00000
    159       4.0680      0.00000
    160       4.1116      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3198      1.00000
      2     -21.7620      1.00000
      3     -21.5677      1.00000
      4     -21.5401      1.00000
      5     -21.2051      1.00000
      6     -21.1658      1.00000
      7     -20.9866      1.00000
      8     -20.0995      1.00000
      9     -20.0603      1.00000
     10     -19.5444      1.00000
     11     -19.5245      1.00000
     12     -19.3469      1.00000
     13     -19.0284      1.00000
     14     -18.9873      1.00000
     15     -18.9772      1.00000
     16     -18.9726      1.00000
     17     -18.2949      1.00000
     18     -18.2816      1.00000
     19     -17.9496      1.00000
     20     -17.0033      1.00000
     21     -16.9624      1.00000
     22     -16.8823      1.00000
     23     -16.8693      1.00000
     24     -16.4128      1.00000
     25     -16.3897      1.00000
     26     -15.5387      1.00000
     27     -15.5352      1.00000
     28     -15.1744      1.00000
     29     -15.1726      1.00000
     30     -15.1345      1.00000
     31     -15.0388      1.00000
     32     -15.0034      1.00000
     33     -14.6311      1.00000
     34     -14.6239      1.00000
     35     -13.6613      1.00000
     36     -13.6511      1.00000
     37     -13.1761      1.00000
     38     -12.5750      1.00000
     39     -12.5152      1.00000
     40     -12.3882      1.00000
     41     -12.3875      1.00000
     42     -12.0353      1.00000
     43     -12.0309      1.00000
     44     -11.6491      1.00000
     45     -11.6085      1.00000
     46     -11.2052      1.00000
     47     -11.1555      1.00000
     48     -10.9587      1.00000
     49     -10.9462      1.00000
     50     -10.8574      1.00000
     51     -10.8248      1.00000
     52     -10.6263      1.00000
     53     -10.1492      1.00000
     54     -10.0863      1.00000
     55     -10.0297      1.00000
     56      -9.9485      1.00000
     57      -9.6321      1.00000
     58      -9.6315      1.00000
     59      -9.6041      1.00000
     60      -9.5388      1.00000
     61      -9.4997      1.00000
     62      -9.4773      1.00000
     63      -9.2751      1.00000
     64      -9.2400      1.00000
     65      -9.2098      1.00000
     66      -9.1711      1.00000
     67      -9.0623      1.00000
     68      -9.0510      1.00000
     69      -9.0469      1.00000
     70      -8.8778      1.00000
     71      -8.8001      1.00000
     72      -8.5359      1.00000
     73      -8.5301      1.00000
     74      -8.5006      1.00000
     75      -8.0380      1.00000
     76      -7.8285      1.00000
     77      -7.8017      1.00000
     78      -7.7713      1.00000
     79      -7.7069      1.00000
     80      -7.6883      1.00000
     81      -7.4142      1.00000
     82      -7.2902      1.00000
     83      -7.2552      1.00000
     84      -7.2026      1.00000
     85      -7.0842      1.00000
     86      -7.0746      1.00000
     87      -6.9310      1.00000
     88      -6.7126      1.00000
     89      -6.6739      1.00000
     90      -6.6282      1.00000
     91      -6.5582      1.00000
     92      -6.0758      1.00000
     93      -6.0339      1.00000
     94      -5.9979      1.00000
     95      -5.9333      1.00000
     96      -5.8030      1.00000
     97      -5.1833      1.00000
     98      -4.8963      1.00000
     99      -4.7937      1.00000
    100      -4.6124      1.00000
    101      -4.5121      1.00000
    102      -4.1395      1.00000
    103      -4.0929      1.00000
    104      -3.9297      1.00000
    105      -3.9160      1.00000
    106      -3.8283      1.00000
    107      -1.7520      0.00000
    108      -1.6961      0.00000
    109      -1.4091      0.00000
    110      -1.3715      0.00000
    111      -1.2636      0.00000
    112      -1.2377      0.00000
    113      -0.6217      0.00000
    114      -0.6019      0.00000
    115      -0.1885      0.00000
    116       0.0445      0.00000
    117       0.5828      0.00000
    118       0.7415      0.00000
    119       0.8515      0.00000
    120       0.9276      0.00000
    121       1.1663      0.00000
    122       1.2087      0.00000
    123       1.2448      0.00000
    124       1.4164      0.00000
    125       1.5978      0.00000
    126       1.6364      0.00000
    127       1.7036      0.00000
    128       1.8062      0.00000
    129       1.9232      0.00000
    130       1.9409      0.00000
    131       2.1474      0.00000
    132       2.1711      0.00000
    133       2.2591      0.00000
    134       2.2971      0.00000
    135       2.5413      0.00000
    136       2.5568      0.00000
    137       2.6359      0.00000
    138       2.7595      0.00000
    139       2.8063      0.00000
    140       2.8495      0.00000
    141       2.8933      0.00000
    142       2.9459      0.00000
    143       3.0123      0.00000
    144       3.0253      0.00000
    145       3.0805      0.00000
    146       3.3097      0.00000
    147       3.3734      0.00000
    148       3.4185      0.00000
    149       3.4777      0.00000
    150       3.5973      0.00000
    151       3.6568      0.00000
    152       3.6641      0.00000
    153       3.6795      0.00000
    154       3.8930      0.00000
    155       3.9746      0.00000
    156       4.0261      0.00000
    157       4.0693      0.00000
    158       4.2358      0.00000
    159       4.2560      0.00000
    160       4.2648      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1413      1.00000
      2     -22.0484      1.00000
      3     -21.8859      1.00000
      4     -21.3349      1.00000
      5     -20.9772      1.00000
      6     -20.9477      1.00000
      7     -20.4281      1.00000
      8     -20.3961      1.00000
      9     -20.2173      1.00000
     10     -20.2159      1.00000
     11     -19.8865      1.00000
     12     -19.8227      1.00000
     13     -18.8157      1.00000
     14     -18.7448      1.00000
     15     -18.2683      1.00000
     16     -18.2538      1.00000
     17     -18.0801      1.00000
     18     -18.0738      1.00000
     19     -17.7481      1.00000
     20     -17.7318      1.00000
     21     -17.1932      1.00000
     22     -17.1703      1.00000
     23     -17.0937      1.00000
     24     -17.0646      1.00000
     25     -16.0560      1.00000
     26     -15.8068      1.00000
     27     -15.7972      1.00000
     28     -15.7740      1.00000
     29     -15.1624      1.00000
     30     -14.4825      1.00000
     31     -14.4610      1.00000
     32     -14.2065      1.00000
     33     -13.9200      1.00000
     34     -13.8905      1.00000
     35     -13.7603      1.00000
     36     -13.7402      1.00000
     37     -13.5361      1.00000
     38     -13.5098      1.00000
     39     -13.3025      1.00000
     40     -12.5783      1.00000
     41     -12.1000      1.00000
     42     -12.0756      1.00000
     43     -11.9958      1.00000
     44     -11.9478      1.00000
     45     -11.6115      1.00000
     46     -11.6039      1.00000
     47     -11.0812      1.00000
     48     -11.0579      1.00000
     49     -10.7262      1.00000
     50     -10.6579      1.00000
     51     -10.5607      1.00000
     52     -10.1444      1.00000
     53     -10.1394      1.00000
     54     -10.1011      1.00000
     55      -9.9683      1.00000
     56      -9.9286      1.00000
     57      -9.9222      1.00000
     58      -9.7536      1.00000
     59      -9.7336      1.00000
     60      -9.6984      1.00000
     61      -9.6939      1.00000
     62      -9.4013      1.00000
     63      -9.3807      1.00000
     64      -9.0700      1.00000
     65      -8.9848      1.00000
     66      -8.9847      1.00000
     67      -8.9040      1.00000
     68      -8.8120      1.00000
     69      -8.6533      1.00000
     70      -8.6385      1.00000
     71      -8.5503      1.00000
     72      -8.4955      1.00000
     73      -8.4757      1.00000
     74      -8.3951      1.00000
     75      -8.3827      1.00000
     76      -8.2102      1.00000
     77      -8.1028      1.00000
     78      -8.0086      1.00000
     79      -7.9037      1.00000
     80      -7.8463      1.00000
     81      -7.6214      1.00000
     82      -7.5313      1.00000
     83      -7.4532      1.00000
     84      -7.2544      1.00000
     85      -6.9483      1.00000
     86      -6.8744      1.00000
     87      -6.8147      1.00000
     88      -6.4764      1.00000
     89      -6.4643      1.00000
     90      -6.4039      1.00000
     91      -6.3584      1.00000
     92      -6.1935      1.00000
     93      -5.8591      1.00000
     94      -5.7382      1.00000
     95      -5.7115      1.00000
     96      -5.5260      1.00000
     97      -5.3291      1.00000
     98      -5.1746      1.00000
     99      -5.1680      1.00000
    100      -5.1335      1.00000
    101      -4.6950      1.00000
    102      -4.3473      1.00000
    103      -4.2820      1.00000
    104      -4.0300      1.00000
    105      -3.8307      1.00000
    106      -3.2313      1.00000
    107      -2.4064      0.00000
    108      -1.3434      0.00000
    109      -1.2470      0.00000
    110      -1.1534      0.00000
    111      -1.1074      0.00000
    112      -0.5807      0.00000
    113      -0.5219      0.00000
    114      -0.4344      0.00000
    115      -0.2734      0.00000
    116      -0.0704      0.00000
    117      -0.0111      0.00000
    118       0.0575      0.00000
    119       0.5838      0.00000
    120       0.7116      0.00000
    121       0.8084      0.00000
    122       0.9424      0.00000
    123       1.1819      0.00000
    124       1.5073      0.00000
    125       1.6196      0.00000
    126       1.8549      0.00000
    127       2.0018      0.00000
    128       2.0500      0.00000
    129       2.1100      0.00000
    130       2.1562      0.00000
    131       2.2610      0.00000
    132       2.2864      0.00000
    133       2.3490      0.00000
    134       2.4642      0.00000
    135       2.6111      0.00000
    136       2.6985      0.00000
    137       2.8166      0.00000
    138       2.9111      0.00000
    139       2.9396      0.00000
    140       3.0177      0.00000
    141       3.0440      0.00000
    142       3.1545      0.00000
    143       3.1658      0.00000
    144       3.2221      0.00000
    145       3.2974      0.00000
    146       3.3098      0.00000
    147       3.3520      0.00000
    148       3.3711      0.00000
    149       3.4153      0.00000
    150       3.4432      0.00000
    151       3.5561      0.00000
    152       3.6114      0.00000
    153       3.7019      0.00000
    154       3.7260      0.00000
    155       3.8445      0.00000
    156       3.9038      0.00000
    157       3.9312      0.00000
    158       3.9587      0.00000
    159       4.1406      0.00000
    160       4.1783      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2139      1.00000
      2     -22.0088      1.00000
      3     -21.6463      1.00000
      4     -21.6146      1.00000
      5     -20.9103      1.00000
      6     -20.8693      1.00000
      7     -20.5400      1.00000
      8     -20.5080      1.00000
      9     -20.5002      1.00000
     10     -19.9643      1.00000
     11     -19.4391      1.00000
     12     -19.4176      1.00000
     13     -19.2385      1.00000
     14     -19.2315      1.00000
     15     -18.3784      1.00000
     16     -18.3430      1.00000
     17     -17.8582      1.00000
     18     -17.8423      1.00000
     19     -17.6941      1.00000
     20     -17.6578      1.00000
     21     -17.3719      1.00000
     22     -17.3577      1.00000
     23     -17.2718      1.00000
     24     -16.4100      1.00000
     25     -16.3861      1.00000
     26     -15.9075      1.00000
     27     -15.3412      1.00000
     28     -15.3360      1.00000
     29     -15.0288      1.00000
     30     -15.0188      1.00000
     31     -14.7792      1.00000
     32     -14.7767      1.00000
     33     -14.2406      1.00000
     34     -14.1901      1.00000
     35     -13.3906      1.00000
     36     -13.3364      1.00000
     37     -13.1103      1.00000
     38     -13.1019      1.00000
     39     -12.9197      1.00000
     40     -12.9141      1.00000
     41     -12.5451      1.00000
     42     -12.5370      1.00000
     43     -12.1393      1.00000
     44     -11.5085      1.00000
     45     -11.4637      1.00000
     46     -11.2401      1.00000
     47     -11.2083      1.00000
     48     -11.0927      1.00000
     49     -10.7060      1.00000
     50     -10.5931      1.00000
     51     -10.5083      1.00000
     52     -10.2561      1.00000
     53     -10.2514      1.00000
     54     -10.1222      1.00000
     55     -10.0513      1.00000
     56     -10.0361      1.00000
     57      -9.7862      1.00000
     58      -9.6907      1.00000
     59      -9.6761      1.00000
     60      -9.6415      1.00000
     61      -9.6317      1.00000
     62      -9.5855      1.00000
     63      -9.2992      1.00000
     64      -9.2870      1.00000
     65      -9.2444      1.00000
     66      -9.0669      1.00000
     67      -8.8985      1.00000
     68      -8.8869      1.00000
     69      -8.7186      1.00000
     70      -8.5829      1.00000
     71      -8.5180      1.00000
     72      -8.3521      1.00000
     73      -8.3050      1.00000
     74      -8.2442      1.00000
     75      -8.2410      1.00000
     76      -8.1932      1.00000
     77      -8.1787      1.00000
     78      -8.1639      1.00000
     79      -8.1103      1.00000
     80      -7.6917      1.00000
     81      -7.4202      1.00000
     82      -7.3472      1.00000
     83      -7.2617      1.00000
     84      -7.1752      1.00000
     85      -7.1099      1.00000
     86      -7.0032      1.00000
     87      -6.9029      1.00000
     88      -6.8466      1.00000
     89      -6.5351      1.00000
     90      -6.5056      1.00000
     91      -6.2157      1.00000
     92      -6.1949      1.00000
     93      -5.8960      1.00000
     94      -5.6739      1.00000
     95      -5.6099      1.00000
     96      -5.5799      1.00000
     97      -5.2551      1.00000
     98      -5.2324      1.00000
     99      -5.1657      1.00000
    100      -5.1346      1.00000
    101      -4.5999      1.00000
    102      -4.2518      1.00000
    103      -4.0463      1.00000
    104      -3.8825      1.00000
    105      -3.8423      1.00000
    106      -3.7996      1.00000
    107      -1.8089      0.00000
    108      -1.7812      0.00000
    109      -1.2232      0.00000
    110      -1.1787      0.00000
    111      -0.9725      0.00000
    112      -0.7325      0.00000
    113      -0.6507      0.00000
    114      -0.5926      0.00000
    115      -0.5515      0.00000
    116      -0.1502      0.00000
    117       0.1754      0.00000
    118       0.2864      0.00000
    119       0.7039      0.00000
    120       0.9474      0.00000
    121       1.1693      0.00000
    122       1.2794      0.00000
    123       1.3449      0.00000
    124       1.5105      0.00000
    125       1.6076      0.00000
    126       1.6270      0.00000
    127       1.6925      0.00000
    128       1.7735      0.00000
    129       1.8582      0.00000
    130       2.0795      0.00000
    131       2.1638      0.00000
    132       2.3174      0.00000
    133       2.3899      0.00000
    134       2.4204      0.00000
    135       2.5530      0.00000
    136       2.6232      0.00000
    137       2.6846      0.00000
    138       2.7499      0.00000
    139       2.8168      0.00000
    140       2.9076      0.00000
    141       3.0533      0.00000
    142       3.0597      0.00000
    143       3.1785      0.00000
    144       3.2775      0.00000
    145       3.3760      0.00000
    146       3.4092      0.00000
    147       3.4551      0.00000
    148       3.5489      0.00000
    149       3.5693      0.00000
    150       3.6302      0.00000
    151       3.6618      0.00000
    152       3.7015      0.00000
    153       3.7846      0.00000
    154       3.8008      0.00000
    155       3.8202      0.00000
    156       3.8915      0.00000
    157       3.9023      0.00000
    158       3.9764      0.00000
    159       4.1882      0.00000
    160       4.2307      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3565      1.00000
      2     -21.5370      1.00000
      3     -21.4073      1.00000
      4     -21.4056      1.00000
      5     -21.3744      1.00000
      6     -21.3660      1.00000
      7     -21.3585      1.00000
      8     -19.6461      1.00000
      9     -19.5734      1.00000
     10     -19.5637      1.00000
     11     -19.5596      1.00000
     12     -19.5406      1.00000
     13     -19.5364      1.00000
     14     -18.7277      1.00000
     15     -18.6822      1.00000
     16     -18.6710      1.00000
     17     -18.6575      1.00000
     18     -18.6429      1.00000
     19     -18.6421      1.00000
     20     -16.5840      1.00000
     21     -16.5301      1.00000
     22     -16.5248      1.00000
     23     -16.5085      1.00000
     24     -16.4884      1.00000
     25     -16.4841      1.00000
     26     -15.5596      1.00000
     27     -15.5255      1.00000
     28     -15.5248      1.00000
     29     -15.4995      1.00000
     30     -15.4961      1.00000
     31     -15.4885      1.00000
     32     -14.2079      1.00000
     33     -14.1811      1.00000
     34     -14.1649      1.00000
     35     -14.1630      1.00000
     36     -14.1617      1.00000
     37     -14.1493      1.00000
     38     -11.8850      1.00000
     39     -11.8080      1.00000
     40     -11.7922      1.00000
     41     -11.7916      1.00000
     42     -11.7889      1.00000
     43     -11.7833      1.00000
     44     -11.7028      1.00000
     45     -11.7002      1.00000
     46     -11.6758      1.00000
     47     -11.6573      1.00000
     48     -11.6536      1.00000
     49     -11.6518      1.00000
     50     -10.6752      1.00000
     51     -10.3300      1.00000
     52     -10.3208      1.00000
     53     -10.3055      1.00000
     54     -10.3050      1.00000
     55     -10.2899      1.00000
     56     -10.2775      1.00000
     57      -9.9291      1.00000
     58      -9.3733      1.00000
     59      -9.3588      1.00000
     60      -9.2998      1.00000
     61      -9.2923      1.00000
     62      -9.2852      1.00000
     63      -9.0957      1.00000
     64      -9.0529      1.00000
     65      -9.0461      1.00000
     66      -9.0237      1.00000
     67      -9.0118      1.00000
     68      -9.0053      1.00000
     69      -9.0046      1.00000
     70      -8.9933      1.00000
     71      -8.9874      1.00000
     72      -8.9744      1.00000
     73      -8.9618      1.00000
     74      -8.9540      1.00000
     75      -8.5020      1.00000
     76      -7.5136      1.00000
     77      -7.4134      1.00000
     78      -7.4077      1.00000
     79      -7.4021      1.00000
     80      -7.3864      1.00000
     81      -7.3678      1.00000
     82      -7.3414      1.00000
     83      -7.3043      1.00000
     84      -7.2690      1.00000
     85      -7.2074      1.00000
     86      -7.1799      1.00000
     87      -7.1796      1.00000
     88      -7.0749      1.00000
     89      -6.5113      1.00000
     90      -6.4607      1.00000
     91      -6.3542      1.00000
     92      -6.2925      1.00000
     93      -6.2896      1.00000
     94      -6.2859      1.00000
     95      -5.9038      1.00000
     96      -5.8783      1.00000
     97      -5.0511      1.00000
     98      -4.9375      1.00000
     99      -4.5399      1.00000
    100      -4.3391      1.00000
    101      -4.3192      1.00000
    102      -4.3164      1.00000
    103      -4.1149      1.00000
    104      -3.9129      1.00000
    105      -3.9027      1.00000
    106      -3.8345      1.00000
    107      -1.6805      0.00000
    108      -1.6685      0.00000
    109      -1.5370      0.00000
    110      -1.5368      0.00000
    111      -1.5216      0.00000
    112      -1.5089      0.00000
    113      -0.5833      0.00000
    114       0.1312      0.00000
    115       0.2071      0.00000
    116       0.3209      0.00000
    117       0.3286      0.00000
    118       0.3353      0.00000
    119       0.4978      0.00000
    120       0.5940      0.00000
    121       1.2585      0.00000
    122       1.2714      0.00000
    123       1.5249      0.00000
    124       1.7959      0.00000
    125       1.8015      0.00000
    126       1.8058      0.00000
    127       1.8095      0.00000
    128       1.9460      0.00000
    129       1.9785      0.00000
    130       2.0322      0.00000
    131       2.0453      0.00000
    132       2.0501      0.00000
    133       2.0541      0.00000
    134       2.0595      0.00000
    135       2.3044      0.00000
    136       2.3245      0.00000
    137       2.6068      0.00000
    138       2.6166      0.00000
    139       2.6421      0.00000
    140       2.7227      0.00000
    141       2.8597      0.00000
    142       3.0259      0.00000
    143       3.0577      0.00000
    144       3.0794      0.00000
    145       3.0985      0.00000
    146       3.0998      0.00000
    147       3.1062      0.00000
    148       3.2291      0.00000
    149       3.4492      0.00000
    150       3.5377      0.00000
    151       3.7873      0.00000
    152       3.9391      0.00000
    153       3.9414      0.00000
    154       3.9590      0.00000
    155       3.9594      0.00000
    156       3.9977      0.00000
    157       4.1778      0.00000
    158       4.2660      0.00000
    159       4.2853      0.00000
    160       4.2862      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3199      1.00000
      2     -21.7612      1.00000
      3     -21.5708      1.00000
      4     -21.5379      1.00000
      5     -21.2079      1.00000
      6     -21.1628      1.00000
      7     -20.9867      1.00000
      8     -20.1015      1.00000
      9     -20.0572      1.00000
     10     -19.5472      1.00000
     11     -19.5225      1.00000
     12     -19.3481      1.00000
     13     -19.0243      1.00000
     14     -18.9909      1.00000
     15     -18.9809      1.00000
     16     -18.9689      1.00000
     17     -18.2978      1.00000
     18     -18.2787      1.00000
     19     -17.9504      1.00000
     20     -17.0082      1.00000
     21     -16.9582      1.00000
     22     -16.8761      1.00000
     23     -16.8719      1.00000
     24     -16.4055      1.00000
     25     -16.3929      1.00000
     26     -15.5539      1.00000
     27     -15.5361      1.00000
     28     -15.1980      1.00000
     29     -15.1676      1.00000
     30     -15.1130      1.00000
     31     -15.0261      1.00000
     32     -15.0022      1.00000
     33     -14.6385      1.00000
     34     -14.6246      1.00000
     35     -13.6695      1.00000
     36     -13.6517      1.00000
     37     -13.1672      1.00000
     38     -12.5495      1.00000
     39     -12.5178      1.00000
     40     -12.3914      1.00000
     41     -12.3752      1.00000
     42     -12.0580      1.00000
     43     -12.0343      1.00000
     44     -11.6624      1.00000
     45     -11.6201      1.00000
     46     -11.1834      1.00000
     47     -11.1561      1.00000
     48     -10.9659      1.00000
     49     -10.9366      1.00000
     50     -10.8754      1.00000
     51     -10.8389      1.00000
     52     -10.6035      1.00000
     53     -10.0963      1.00000
     54     -10.0838      1.00000
     55     -10.0462      1.00000
     56      -9.9694      1.00000
     57      -9.6557      1.00000
     58      -9.6259      1.00000
     59      -9.5927      1.00000
     60      -9.5283      1.00000
     61      -9.5163      1.00000
     62      -9.4781      1.00000
     63      -9.2650      1.00000
     64      -9.2378      1.00000
     65      -9.2205      1.00000
     66      -9.1701      1.00000
     67      -9.0681      1.00000
     68      -9.0464      1.00000
     69      -9.0379      1.00000
     70      -8.8827      1.00000
     71      -8.8104      1.00000
     72      -8.5818      1.00000
     73      -8.5213      1.00000
     74      -8.4638      1.00000
     75      -8.0320      1.00000
     76      -7.8124      1.00000
     77      -7.8068      1.00000
     78      -7.7958      1.00000
     79      -7.7008      1.00000
     80      -7.6871      1.00000
     81      -7.3638      1.00000
     82      -7.2728      1.00000
     83      -7.2656      1.00000
     84      -7.2154      1.00000
     85      -7.1726      1.00000
     86      -7.0079      1.00000
     87      -6.9510      1.00000
     88      -6.7482      1.00000
     89      -6.6726      1.00000
     90      -6.5942      1.00000
     91      -6.5587      1.00000
     92      -6.0511      1.00000
     93      -6.0471      1.00000
     94      -6.0218      1.00000
     95      -5.9598      1.00000
     96      -5.7355      1.00000
     97      -5.1586      1.00000
     98      -4.9901      1.00000
     99      -4.7180      1.00000
    100      -4.6107      1.00000
    101      -4.4407      1.00000
    102      -4.3737      1.00000
    103      -4.1225      1.00000
    104      -3.8683      1.00000
    105      -3.8344      1.00000
    106      -3.7919      1.00000
    107      -1.7854      0.00000
    108      -1.7380      0.00000
    109      -1.3936      0.00000
    110      -1.3480      0.00000
    111      -1.2638      0.00000
    112      -1.2258      0.00000
    113      -0.7433      0.00000
    114      -0.3776      0.00000
    115      -0.2237      0.00000
    116      -0.0167      0.00000
    117       0.5885      0.00000
    118       0.7344      0.00000
    119       0.7644      0.00000
    120       1.0501      0.00000
    121       1.1415      0.00000
    122       1.2511      0.00000
    123       1.2708      0.00000
    124       1.4131      0.00000
    125       1.4776      0.00000
    126       1.5835      0.00000
    127       1.7571      0.00000
    128       1.8391      0.00000
    129       1.8951      0.00000
    130       1.9587      0.00000
    131       2.1063      0.00000
    132       2.2329      0.00000
    133       2.2476      0.00000
    134       2.2926      0.00000
    135       2.4863      0.00000
    136       2.6127      0.00000
    137       2.6369      0.00000
    138       2.7639      0.00000
    139       2.7974      0.00000
    140       2.8572      0.00000
    141       2.8672      0.00000
    142       2.8921      0.00000
    143       2.9583      0.00000
    144       3.0790      0.00000
    145       3.2789      0.00000
    146       3.3026      0.00000
    147       3.3759      0.00000
    148       3.4090      0.00000
    149       3.4636      0.00000
    150       3.5860      0.00000
    151       3.6388      0.00000
    152       3.6709      0.00000
    153       3.7060      0.00000
    154       3.9029      0.00000
    155       3.9391      0.00000
    156       3.9796      0.00000
    157       4.0808      0.00000
    158       4.2007      0.00000
    159       4.2422      0.00000
    160       4.2944      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2142      1.00000
      2     -22.0078      1.00000
      3     -21.6496      1.00000
      4     -21.6123      1.00000
      5     -20.9131      1.00000
      6     -20.8665      1.00000
      7     -20.5457      1.00000
      8     -20.5055      1.00000
      9     -20.4959      1.00000
     10     -19.9628      1.00000
     11     -19.4433      1.00000
     12     -19.4163      1.00000
     13     -19.2426      1.00000
     14     -19.2280      1.00000
     15     -18.3833      1.00000
     16     -18.3390      1.00000
     17     -17.8600      1.00000
     18     -17.8398      1.00000
     19     -17.6970      1.00000
     20     -17.6541      1.00000
     21     -17.3715      1.00000
     22     -17.3573      1.00000
     23     -17.2723      1.00000
     24     -16.4032      1.00000
     25     -16.3886      1.00000
     26     -15.8954      1.00000
     27     -15.3552      1.00000
     28     -15.3374      1.00000
     29     -15.0375      1.00000
     30     -15.0208      1.00000
     31     -14.7990      1.00000
     32     -14.7734      1.00000
     33     -14.2201      1.00000
     34     -14.1891      1.00000
     35     -13.3690      1.00000
     36     -13.3368      1.00000
     37     -13.1216      1.00000
     38     -13.1022      1.00000
     39     -12.9161      1.00000
     40     -12.9016      1.00000
     41     -12.5581      1.00000
     42     -12.5384      1.00000
     43     -12.1306      1.00000
     44     -11.5250      1.00000
     45     -11.4769      1.00000
     46     -11.2561      1.00000
     47     -11.2226      1.00000
     48     -11.0769      1.00000
     49     -10.6625      1.00000
     50     -10.5884      1.00000
     51     -10.5256      1.00000
     52     -10.2548      1.00000
     53     -10.2479      1.00000
     54     -10.1239      1.00000
     55     -10.0508      1.00000
     56     -10.0416      1.00000
     57      -9.7713      1.00000
     58      -9.6984      1.00000
     59      -9.6834      1.00000
     60      -9.6344      1.00000
     61      -9.6187      1.00000
     62      -9.5880      1.00000
     63      -9.2970      1.00000
     64      -9.2799      1.00000
     65      -9.2577      1.00000
     66      -9.0902      1.00000
     67      -8.8918      1.00000
     68      -8.8853      1.00000
     69      -8.7250      1.00000
     70      -8.5903      1.00000
     71      -8.5181      1.00000
     72      -8.3302      1.00000
     73      -8.3029      1.00000
     74      -8.2652      1.00000
     75      -8.2317      1.00000
     76      -8.1958      1.00000
     77      -8.1865      1.00000
     78      -8.1739      1.00000
     79      -8.1034      1.00000
     80      -7.6882      1.00000
     81      -7.3562      1.00000
     82      -7.3105      1.00000
     83      -7.2629      1.00000
     84      -7.1859      1.00000
     85      -7.1251      1.00000
     86      -7.0772      1.00000
     87      -6.9084      1.00000
     88      -6.8829      1.00000
     89      -6.5528      1.00000
     90      -6.4896      1.00000
     91      -6.2130      1.00000
     92      -6.0705      1.00000
     93      -5.9415      1.00000
     94      -5.7170      1.00000
     95      -5.6324      1.00000
     96      -5.4524      1.00000
     97      -5.3060      1.00000
     98      -5.2326      1.00000
     99      -5.1529      1.00000
    100      -5.1503      1.00000
    101      -4.5241      1.00000
    102      -4.4707      1.00000
    103      -4.1440      1.00000
    104      -3.8375      1.00000
    105      -3.7579      1.00000
    106      -3.6806      1.00000
    107      -1.8707      0.00000
    108      -1.8235      0.00000
    109      -1.2755      0.00000
    110      -1.0388      0.00000
    111      -1.0109      0.00000
    112      -0.7110      0.00000
    113      -0.6425      0.00000
    114      -0.5879      0.00000
    115      -0.5459      0.00000
    116      -0.2007      0.00000
    117       0.2532      0.00000
    118       0.2788      0.00000
    119       0.7591      0.00000
    120       0.9446      0.00000
    121       1.1300      0.00000
    122       1.2262      0.00000
    123       1.3198      0.00000
    124       1.4105      0.00000
    125       1.5987      0.00000
    126       1.6327      0.00000
    127       1.6983      0.00000
    128       1.8252      0.00000
    129       1.9172      0.00000
    130       2.0084      0.00000
    131       2.1062      0.00000
    132       2.3312      0.00000
    133       2.3966      0.00000
    134       2.4299      0.00000
    135       2.5394      0.00000
    136       2.6337      0.00000
    137       2.7568      0.00000
    138       2.8222      0.00000
    139       2.8308      0.00000
    140       2.8872      0.00000
    141       3.0412      0.00000
    142       3.0885      0.00000
    143       3.1835      0.00000
    144       3.2375      0.00000
    145       3.3840      0.00000
    146       3.4217      0.00000
    147       3.4790      0.00000
    148       3.5747      0.00000
    149       3.5993      0.00000
    150       3.6254      0.00000
    151       3.6507      0.00000
    152       3.7415      0.00000
    153       3.7711      0.00000
    154       3.7850      0.00000
    155       3.8069      0.00000
    156       3.8943      0.00000
    157       3.9734      0.00000
    158       4.0050      0.00000
    159       4.1722      0.00000
    160       4.2381      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2480      1.00000
      2     -21.8937      1.00000
      3     -21.8230      1.00000
      4     -21.3122      1.00000
      5     -21.2820      1.00000
      6     -20.7697      1.00000
      7     -20.7038      1.00000
      8     -20.5549      1.00000
      9     -20.0098      1.00000
     10     -20.0028      1.00000
     11     -19.6472      1.00000
     12     -19.6229      1.00000
     13     -18.9297      1.00000
     14     -18.9216      1.00000
     15     -18.5732      1.00000
     16     -18.5588      1.00000
     17     -18.3911      1.00000
     18     -17.6123      1.00000
     19     -17.5564      1.00000
     20     -17.5509      1.00000
     21     -17.5090      1.00000
     22     -17.0572      1.00000
     23     -17.0389      1.00000
     24     -16.8959      1.00000
     25     -15.9333      1.00000
     26     -15.8691      1.00000
     27     -15.5155      1.00000
     28     -15.5142      1.00000
     29     -15.2277      1.00000
     30     -14.7950      1.00000
     31     -14.7673      1.00000
     32     -14.5119      1.00000
     33     -14.4678      1.00000
     34     -14.1059      1.00000
     35     -14.0949      1.00000
     36     -13.0773      1.00000
     37     -13.0296      1.00000
     38     -12.9630      1.00000
     39     -12.9509      1.00000
     40     -12.6419      1.00000
     41     -12.6357      1.00000
     42     -12.2765      1.00000
     43     -12.2451      1.00000
     44     -11.5920      1.00000
     45     -11.5655      1.00000
     46     -11.5083      1.00000
     47     -10.9076      1.00000
     48     -10.8540      1.00000
     49     -10.6214      1.00000
     50     -10.5568      1.00000
     51     -10.4840      1.00000
     52     -10.4375      1.00000
     53     -10.4271      1.00000
     54     -10.3696      1.00000
     55     -10.2859      1.00000
     56     -10.0656      1.00000
     57      -9.8332      1.00000
     58      -9.5403      1.00000
     59      -9.4800      1.00000
     60      -9.4731      1.00000
     61      -9.3505      1.00000
     62      -9.3318      1.00000
     63      -9.3041      1.00000
     64      -9.3036      1.00000
     65      -9.2151      1.00000
     66      -9.1162      1.00000
     67      -9.0861      1.00000
     68      -9.0521      1.00000
     69      -8.8502      1.00000
     70      -8.7977      1.00000
     71      -8.7776      1.00000
     72      -8.5263      1.00000
     73      -8.4754      1.00000
     74      -8.2232      1.00000
     75      -8.1133      1.00000
     76      -8.1029      1.00000
     77      -7.8081      1.00000
     78      -7.7798      1.00000
     79      -7.7760      1.00000
     80      -7.6742      1.00000
     81      -7.6290      1.00000
     82      -7.6290      1.00000
     83      -7.4008      1.00000
     84      -7.3244      1.00000
     85      -7.2006      1.00000
     86      -6.8412      1.00000
     87      -6.8322      1.00000
     88      -6.6634      1.00000
     89      -6.5388      1.00000
     90      -6.3405      1.00000
     91      -6.3077      1.00000
     92      -6.1864      1.00000
     93      -6.1530      1.00000
     94      -5.9762      1.00000
     95      -5.5714      1.00000
     96      -5.4248      1.00000
     97      -5.2571      1.00000
     98      -5.2531      1.00000
     99      -5.1475      1.00000
    100      -4.6972      1.00000
    101      -4.6649      1.00000
    102      -4.3493      1.00000
    103      -4.3169      1.00000
    104      -3.9651      1.00000
    105      -3.8309      1.00000
    106      -3.3911      1.00000
    107      -2.2197      0.00000
    108      -1.3771      0.00000
    109      -1.2873      0.00000
    110      -1.1724      0.00000
    111      -1.0769      0.00000
    112      -0.8926      0.00000
    113      -0.7676      0.00000
    114      -0.7565      0.00000
    115      -0.2163      0.00000
    116       0.1105      0.00000
    117       0.2602      0.00000
    118       0.3458      0.00000
    119       0.7329      0.00000
    120       0.9044      0.00000
    121       0.9725      0.00000
    122       1.0938      0.00000
    123       1.2072      0.00000
    124       1.5285      0.00000
    125       1.5595      0.00000
    126       1.7150      0.00000
    127       1.8399      0.00000
    128       1.8639      0.00000
    129       1.9679      0.00000
    130       1.9949      0.00000
    131       2.1584      0.00000
    132       2.2650      0.00000
    133       2.4531      0.00000
    134       2.4712      0.00000
    135       2.5072      0.00000
    136       2.6634      0.00000
    137       2.6841      0.00000
    138       2.7311      0.00000
    139       2.7442      0.00000
    140       2.8887      0.00000
    141       3.0221      0.00000
    142       3.0804      0.00000
    143       3.1941      0.00000
    144       3.2551      0.00000
    145       3.2583      0.00000
    146       3.2675      0.00000
    147       3.3598      0.00000
    148       3.4779      0.00000
    149       3.5269      0.00000
    150       3.6948      0.00000
    151       3.7516      0.00000
    152       3.7713      0.00000
    153       3.8327      0.00000
    154       3.8767      0.00000
    155       3.9398      0.00000
    156       3.9834      0.00000
    157       4.0264      0.00000
    158       4.0517      0.00000
    159       4.0554      0.00000
    160       4.1052      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1420      1.00000
      2     -22.0467      1.00000
      3     -21.8868      1.00000
      4     -21.3350      1.00000
      5     -20.9817      1.00000
      6     -20.9430      1.00000
      7     -20.4335      1.00000
      8     -20.3907      1.00000
      9     -20.2259      1.00000
     10     -20.2045      1.00000
     11     -19.8897      1.00000
     12     -19.8222      1.00000
     13     -18.8159      1.00000
     14     -18.7449      1.00000
     15     -18.2888      1.00000
     16     -18.2355      1.00000
     17     -18.0857      1.00000
     18     -18.0661      1.00000
     19     -17.7605      1.00000
     20     -17.7185      1.00000
     21     -17.1872      1.00000
     22     -17.1734      1.00000
     23     -17.0974      1.00000
     24     -17.0654      1.00000
     25     -16.0370      1.00000
     26     -15.8249      1.00000
     27     -15.7996      1.00000
     28     -15.7668      1.00000
     29     -15.1724      1.00000
     30     -14.4935      1.00000
     31     -14.4595      1.00000
     32     -14.2170      1.00000
     33     -13.8923      1.00000
     34     -13.8896      1.00000
     35     -13.7544      1.00000
     36     -13.7368      1.00000
     37     -13.5521      1.00000
     38     -13.5033      1.00000
     39     -13.2996      1.00000
     40     -12.5637      1.00000
     41     -12.1266      1.00000
     42     -12.0664      1.00000
     43     -12.0117      1.00000
     44     -11.9533      1.00000
     45     -11.6082      1.00000
     46     -11.5855      1.00000
     47     -11.0885      1.00000
     48     -11.0526      1.00000
     49     -10.7564      1.00000
     50     -10.6677      1.00000
     51     -10.5280      1.00000
     52     -10.1445      1.00000
     53     -10.1388      1.00000
     54     -10.0956      1.00000
     55      -9.9545      1.00000
     56      -9.9446      1.00000
     57      -9.9164      1.00000
     58      -9.7418      1.00000
     59      -9.7230      1.00000
     60      -9.7040      1.00000
     61      -9.6890      1.00000
     62      -9.4318      1.00000
     63      -9.3662      1.00000
     64      -9.0880      1.00000
     65      -9.0030      1.00000
     66      -8.9753      1.00000
     67      -8.8893      1.00000
     68      -8.8112      1.00000
     69      -8.6589      1.00000
     70      -8.6301      1.00000
     71      -8.5804      1.00000
     72      -8.4816      1.00000
     73      -8.4716      1.00000
     74      -8.3995      1.00000
     75      -8.3923      1.00000
     76      -8.1842      1.00000
     77      -8.1147      1.00000
     78      -7.9768      1.00000
     79      -7.9155      1.00000
     80      -7.8455      1.00000
     81      -7.6191      1.00000
     82      -7.5308      1.00000
     83      -7.4714      1.00000
     84      -7.2580      1.00000
     85      -6.9328      1.00000
     86      -6.8550      1.00000
     87      -6.8089      1.00000
     88      -6.5764      1.00000
     89      -6.4694      1.00000
     90      -6.4232      1.00000
     91      -6.3574      1.00000
     92      -6.0526      1.00000
     93      -5.8779      1.00000
     94      -5.7539      1.00000
     95      -5.7204      1.00000
     96      -5.4779      1.00000
     97      -5.3460      1.00000
     98      -5.1798      1.00000
     99      -5.1555      1.00000
    100      -5.1546      1.00000
    101      -4.7088      1.00000
    102      -4.4410      1.00000
    103      -4.2569      1.00000
    104      -3.9967      1.00000
    105      -3.8297      1.00000
    106      -3.1568      1.00000
    107      -2.4626      0.00000
    108      -1.3771      0.00000
    109      -1.2428      0.00000
    110      -1.1452      0.00000
    111      -1.1154      0.00000
    112      -0.5623      0.00000
    113      -0.4349      0.00000
    114      -0.4293      0.00000
    115      -0.3125      0.00000
    116      -0.1894      0.00000
    117       0.0627      0.00000
    118       0.1182      0.00000
    119       0.5388      0.00000
    120       0.6843      0.00000
    121       0.8700      0.00000
    122       0.9668      0.00000
    123       1.1094      0.00000
    124       1.4943      0.00000
    125       1.6609      0.00000
    126       1.7977      0.00000
    127       1.8740      0.00000
    128       2.0901      0.00000
    129       2.1373      0.00000
    130       2.1963      0.00000
    131       2.2157      0.00000
    132       2.3395      0.00000
    133       2.3630      0.00000
    134       2.4877      0.00000
    135       2.5813      0.00000
    136       2.6668      0.00000
    137       2.8786      0.00000
    138       2.9390      0.00000
    139       2.9653      0.00000
    140       2.9893      0.00000
    141       3.0420      0.00000
    142       3.1483      0.00000
    143       3.1832      0.00000
    144       3.2456      0.00000
    145       3.2901      0.00000
    146       3.3310      0.00000
    147       3.3467      0.00000
    148       3.3786      0.00000
    149       3.4059      0.00000
    150       3.4940      0.00000
    151       3.5496      0.00000
    152       3.6298      0.00000
    153       3.6953      0.00000
    154       3.7070      0.00000
    155       3.7249      0.00000
    156       3.9176      0.00000
    157       3.9351      0.00000
    158       4.0555      0.00000
    159       4.0870      0.00000
    160       4.1977      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2479      1.00000
      2     -21.8952      1.00000
      3     -21.8215      1.00000
      4     -21.3161      1.00000
      5     -21.2771      1.00000
      6     -20.7719      1.00000
      7     -20.7030      1.00000
      8     -20.5552      1.00000
      9     -20.0222      1.00000
     10     -19.9898      1.00000
     11     -19.6506      1.00000
     12     -19.6195      1.00000
     13     -18.9431      1.00000
     14     -18.9084      1.00000
     15     -18.5828      1.00000
     16     -18.5454      1.00000
     17     -18.3935      1.00000
     18     -17.6022      1.00000
     19     -17.5737      1.00000
     20     -17.5418      1.00000
     21     -17.5099      1.00000
     22     -17.0736      1.00000
     23     -17.0272      1.00000
     24     -16.8979      1.00000
     25     -15.9435      1.00000
     26     -15.8503      1.00000
     27     -15.5347      1.00000
     28     -15.5063      1.00000
     29     -15.2097      1.00000
     30     -14.8141      1.00000
     31     -14.7608      1.00000
     32     -14.5112      1.00000
     33     -14.4696      1.00000
     34     -14.0931      1.00000
     35     -14.0921      1.00000
     36     -13.1047      1.00000
     37     -13.0310      1.00000
     38     -12.9600      1.00000
     39     -12.9501      1.00000
     40     -12.6583      1.00000
     41     -12.6281      1.00000
     42     -12.2741      1.00000
     43     -12.2447      1.00000
     44     -11.5703      1.00000
     45     -11.5518      1.00000
     46     -11.4998      1.00000
     47     -10.8818      1.00000
     48     -10.8625      1.00000
     49     -10.6842      1.00000
     50     -10.5299      1.00000
     51     -10.5181      1.00000
     52     -10.4296      1.00000
     53     -10.4157      1.00000
     54     -10.3708      1.00000
     55     -10.2917      1.00000
     56     -10.0613      1.00000
     57      -9.8320      1.00000
     58      -9.5625      1.00000
     59      -9.4888      1.00000
     60      -9.4466      1.00000
     61      -9.3477      1.00000
     62      -9.3433      1.00000
     63      -9.3112      1.00000
     64      -9.3046      1.00000
     65      -9.2055      1.00000
     66      -9.0972      1.00000
     67      -9.0658      1.00000
     68      -9.0479      1.00000
     69      -8.8530      1.00000
     70      -8.7887      1.00000
     71      -8.7809      1.00000
     72      -8.5277      1.00000
     73      -8.4978      1.00000
     74      -8.2291      1.00000
     75      -8.1260      1.00000
     76      -8.0932      1.00000
     77      -7.8090      1.00000
     78      -7.7702      1.00000
     79      -7.7397      1.00000
     80      -7.7030      1.00000
     81      -7.6407      1.00000
     82      -7.6222      1.00000
     83      -7.3880      1.00000
     84      -7.3458      1.00000
     85      -7.2197      1.00000
     86      -6.8458      1.00000
     87      -6.8161      1.00000
     88      -6.6412      1.00000
     89      -6.5287      1.00000
     90      -6.3447      1.00000
     91      -6.2720      1.00000
     92      -6.1947      1.00000
     93      -6.1289      1.00000
     94      -6.0222      1.00000
     95      -5.6397      1.00000
     96      -5.5083      1.00000
     97      -5.2990      1.00000
     98      -5.1570      1.00000
     99      -5.0397      1.00000
    100      -4.7279      1.00000
    101      -4.6845      1.00000
    102      -4.3670      1.00000
    103      -4.1866      1.00000
    104      -4.0098      1.00000
    105      -3.8292      1.00000
    106      -3.4831      1.00000
    107      -2.1647      0.00000
    108      -1.3819      0.00000
    109      -1.2362      0.00000
    110      -1.1851      0.00000
    111      -1.0127      0.00000
    112      -0.9585      0.00000
    113      -0.7981      0.00000
    114      -0.7525      0.00000
    115      -0.3637      0.00000
    116       0.2464      0.00000
    117       0.2778      0.00000
    118       0.3651      0.00000
    119       0.6988      0.00000
    120       0.8675      0.00000
    121       0.9657      0.00000
    122       1.1249      0.00000
    123       1.2344      0.00000
    124       1.4549      0.00000
    125       1.5523      0.00000
    126       1.7811      0.00000
    127       1.8495      0.00000
    128       1.8838      0.00000
    129       1.9828      0.00000
    130       2.0292      0.00000
    131       2.1979      0.00000
    132       2.2099      0.00000
    133       2.3999      0.00000
    134       2.4519      0.00000
    135       2.5576      0.00000
    136       2.6589      0.00000
    137       2.6858      0.00000
    138       2.7261      0.00000
    139       2.7664      0.00000
    140       2.8532      0.00000
    141       2.9643      0.00000
    142       3.0792      0.00000
    143       3.1915      0.00000
    144       3.2397      0.00000
    145       3.2554      0.00000
    146       3.2944      0.00000
    147       3.3290      0.00000
    148       3.4800      0.00000
    149       3.5051      0.00000
    150       3.7090      0.00000
    151       3.7197      0.00000
    152       3.7693      0.00000
    153       3.8592      0.00000
    154       3.8744      0.00000
    155       3.8972      0.00000
    156       3.9967      0.00000
    157       3.9990      0.00000
    158       4.0503      0.00000
    159       4.0679      0.00000
    160       4.1118      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3198      1.00000
      2     -21.7620      1.00000
      3     -21.5677      1.00000
      4     -21.5401      1.00000
      5     -21.2051      1.00000
      6     -21.1658      1.00000
      7     -20.9866      1.00000
      8     -20.0995      1.00000
      9     -20.0603      1.00000
     10     -19.5444      1.00000
     11     -19.5245      1.00000
     12     -19.3469      1.00000
     13     -19.0284      1.00000
     14     -18.9873      1.00000
     15     -18.9772      1.00000
     16     -18.9726      1.00000
     17     -18.2949      1.00000
     18     -18.2816      1.00000
     19     -17.9496      1.00000
     20     -17.0033      1.00000
     21     -16.9624      1.00000
     22     -16.8823      1.00000
     23     -16.8693      1.00000
     24     -16.4128      1.00000
     25     -16.3897      1.00000
     26     -15.5387      1.00000
     27     -15.5352      1.00000
     28     -15.1744      1.00000
     29     -15.1726      1.00000
     30     -15.1345      1.00000
     31     -15.0388      1.00000
     32     -15.0034      1.00000
     33     -14.6311      1.00000
     34     -14.6239      1.00000
     35     -13.6613      1.00000
     36     -13.6511      1.00000
     37     -13.1761      1.00000
     38     -12.5750      1.00000
     39     -12.5152      1.00000
     40     -12.3882      1.00000
     41     -12.3875      1.00000
     42     -12.0353      1.00000
     43     -12.0309      1.00000
     44     -11.6491      1.00000
     45     -11.6085      1.00000
     46     -11.2052      1.00000
     47     -11.1555      1.00000
     48     -10.9587      1.00000
     49     -10.9462      1.00000
     50     -10.8574      1.00000
     51     -10.8248      1.00000
     52     -10.6263      1.00000
     53     -10.1492      1.00000
     54     -10.0863      1.00000
     55     -10.0297      1.00000
     56      -9.9485      1.00000
     57      -9.6321      1.00000
     58      -9.6315      1.00000
     59      -9.6041      1.00000
     60      -9.5388      1.00000
     61      -9.4997      1.00000
     62      -9.4773      1.00000
     63      -9.2751      1.00000
     64      -9.2400      1.00000
     65      -9.2098      1.00000
     66      -9.1711      1.00000
     67      -9.0623      1.00000
     68      -9.0510      1.00000
     69      -9.0469      1.00000
     70      -8.8778      1.00000
     71      -8.8001      1.00000
     72      -8.5359      1.00000
     73      -8.5301      1.00000
     74      -8.5006      1.00000
     75      -8.0380      1.00000
     76      -7.8285      1.00000
     77      -7.8017      1.00000
     78      -7.7713      1.00000
     79      -7.7069      1.00000
     80      -7.6883      1.00000
     81      -7.4142      1.00000
     82      -7.2902      1.00000
     83      -7.2552      1.00000
     84      -7.2026      1.00000
     85      -7.0842      1.00000
     86      -7.0746      1.00000
     87      -6.9310      1.00000
     88      -6.7126      1.00000
     89      -6.6739      1.00000
     90      -6.6282      1.00000
     91      -6.5582      1.00000
     92      -6.0758      1.00000
     93      -6.0339      1.00000
     94      -5.9979      1.00000
     95      -5.9333      1.00000
     96      -5.8030      1.00000
     97      -5.1833      1.00000
     98      -4.8963      1.00000
     99      -4.7937      1.00000
    100      -4.6124      1.00000
    101      -4.5121      1.00000
    102      -4.1395      1.00000
    103      -4.0929      1.00000
    104      -3.9297      1.00000
    105      -3.9160      1.00000
    106      -3.8283      1.00000
    107      -1.7520      0.00000
    108      -1.6961      0.00000
    109      -1.4091      0.00000
    110      -1.3715      0.00000
    111      -1.2636      0.00000
    112      -1.2377      0.00000
    113      -0.6217      0.00000
    114      -0.6019      0.00000
    115      -0.1885      0.00000
    116       0.0445      0.00000
    117       0.5828      0.00000
    118       0.7415      0.00000
    119       0.8515      0.00000
    120       0.9276      0.00000
    121       1.1663      0.00000
    122       1.2087      0.00000
    123       1.2448      0.00000
    124       1.4164      0.00000
    125       1.5978      0.00000
    126       1.6364      0.00000
    127       1.7036      0.00000
    128       1.8061      0.00000
    129       1.9232      0.00000
    130       1.9409      0.00000
    131       2.1474      0.00000
    132       2.1711      0.00000
    133       2.2591      0.00000
    134       2.2971      0.00000
    135       2.5413      0.00000
    136       2.5568      0.00000
    137       2.6359      0.00000
    138       2.7595      0.00000
    139       2.8063      0.00000
    140       2.8494      0.00000
    141       2.8933      0.00000
    142       2.9459      0.00000
    143       3.0123      0.00000
    144       3.0253      0.00000
    145       3.0805      0.00000
    146       3.3097      0.00000
    147       3.3733      0.00000
    148       3.4185      0.00000
    149       3.4777      0.00000
    150       3.5973      0.00000
    151       3.6568      0.00000
    152       3.6641      0.00000
    153       3.6795      0.00000
    154       3.8930      0.00000
    155       3.9746      0.00000
    156       4.0261      0.00000
    157       4.0693      0.00000
    158       4.2358      0.00000
    159       4.2560      0.00000
    160       4.2647      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1413      1.00000
      2     -22.0484      1.00000
      3     -21.8859      1.00000
      4     -21.3349      1.00000
      5     -20.9772      1.00000
      6     -20.9477      1.00000
      7     -20.4281      1.00000
      8     -20.3961      1.00000
      9     -20.2173      1.00000
     10     -20.2159      1.00000
     11     -19.8865      1.00000
     12     -19.8227      1.00000
     13     -18.8157      1.00000
     14     -18.7448      1.00000
     15     -18.2683      1.00000
     16     -18.2538      1.00000
     17     -18.0801      1.00000
     18     -18.0738      1.00000
     19     -17.7481      1.00000
     20     -17.7318      1.00000
     21     -17.1932      1.00000
     22     -17.1703      1.00000
     23     -17.0937      1.00000
     24     -17.0646      1.00000
     25     -16.0560      1.00000
     26     -15.8068      1.00000
     27     -15.7972      1.00000
     28     -15.7740      1.00000
     29     -15.1624      1.00000
     30     -14.4825      1.00000
     31     -14.4610      1.00000
     32     -14.2065      1.00000
     33     -13.9200      1.00000
     34     -13.8905      1.00000
     35     -13.7603      1.00000
     36     -13.7402      1.00000
     37     -13.5361      1.00000
     38     -13.5098      1.00000
     39     -13.3025      1.00000
     40     -12.5783      1.00000
     41     -12.1000      1.00000
     42     -12.0756      1.00000
     43     -11.9958      1.00000
     44     -11.9478      1.00000
     45     -11.6115      1.00000
     46     -11.6039      1.00000
     47     -11.0812      1.00000
     48     -11.0579      1.00000
     49     -10.7262      1.00000
     50     -10.6579      1.00000
     51     -10.5607      1.00000
     52     -10.1444      1.00000
     53     -10.1394      1.00000
     54     -10.1011      1.00000
     55      -9.9683      1.00000
     56      -9.9286      1.00000
     57      -9.9222      1.00000
     58      -9.7536      1.00000
     59      -9.7336      1.00000
     60      -9.6984      1.00000
     61      -9.6939      1.00000
     62      -9.4013      1.00000
     63      -9.3807      1.00000
     64      -9.0700      1.00000
     65      -8.9848      1.00000
     66      -8.9847      1.00000
     67      -8.9040      1.00000
     68      -8.8120      1.00000
     69      -8.6533      1.00000
     70      -8.6385      1.00000
     71      -8.5503      1.00000
     72      -8.4955      1.00000
     73      -8.4757      1.00000
     74      -8.3951      1.00000
     75      -8.3827      1.00000
     76      -8.2102      1.00000
     77      -8.1028      1.00000
     78      -8.0086      1.00000
     79      -7.9037      1.00000
     80      -7.8463      1.00000
     81      -7.6214      1.00000
     82      -7.5313      1.00000
     83      -7.4532      1.00000
     84      -7.2544      1.00000
     85      -6.9483      1.00000
     86      -6.8744      1.00000
     87      -6.8147      1.00000
     88      -6.4764      1.00000
     89      -6.4643      1.00000
     90      -6.4039      1.00000
     91      -6.3584      1.00000
     92      -6.1935      1.00000
     93      -5.8591      1.00000
     94      -5.7382      1.00000
     95      -5.7115      1.00000
     96      -5.5260      1.00000
     97      -5.3291      1.00000
     98      -5.1746      1.00000
     99      -5.1680      1.00000
    100      -5.1335      1.00000
    101      -4.6950      1.00000
    102      -4.3473      1.00000
    103      -4.2820      1.00000
    104      -4.0300      1.00000
    105      -3.8307      1.00000
    106      -3.2313      1.00000
    107      -2.4064      0.00000
    108      -1.3434      0.00000
    109      -1.2470      0.00000
    110      -1.1534      0.00000
    111      -1.1074      0.00000
    112      -0.5807      0.00000
    113      -0.5219      0.00000
    114      -0.4344      0.00000
    115      -0.2734      0.00000
    116      -0.0704      0.00000
    117      -0.0111      0.00000
    118       0.0575      0.00000
    119       0.5838      0.00000
    120       0.7116      0.00000
    121       0.8084      0.00000
    122       0.9424      0.00000
    123       1.1819      0.00000
    124       1.5073      0.00000
    125       1.6196      0.00000
    126       1.8549      0.00000
    127       2.0018      0.00000
    128       2.0500      0.00000
    129       2.1100      0.00000
    130       2.1562      0.00000
    131       2.2610      0.00000
    132       2.2864      0.00000
    133       2.3490      0.00000
    134       2.4641      0.00000
    135       2.6110      0.00000
    136       2.6985      0.00000
    137       2.8166      0.00000
    138       2.9111      0.00000
    139       2.9396      0.00000
    140       3.0177      0.00000
    141       3.0440      0.00000
    142       3.1545      0.00000
    143       3.1657      0.00000
    144       3.2221      0.00000
    145       3.2974      0.00000
    146       3.3098      0.00000
    147       3.3520      0.00000
    148       3.3711      0.00000
    149       3.4153      0.00000
    150       3.4432      0.00000
    151       3.5561      0.00000
    152       3.6114      0.00000
    153       3.7019      0.00000
    154       3.7260      0.00000
    155       3.8445      0.00000
    156       3.9038      0.00000
    157       3.9312      0.00000
    158       3.9587      0.00000
    159       4.1406      0.00000
    160       4.1783      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2139      1.00000
      2     -22.0088      1.00000
      3     -21.6463      1.00000
      4     -21.6146      1.00000
      5     -20.9103      1.00000
      6     -20.8693      1.00000
      7     -20.5400      1.00000
      8     -20.5080      1.00000
      9     -20.5002      1.00000
     10     -19.9643      1.00000
     11     -19.4391      1.00000
     12     -19.4176      1.00000
     13     -19.2385      1.00000
     14     -19.2315      1.00000
     15     -18.3784      1.00000
     16     -18.3430      1.00000
     17     -17.8582      1.00000
     18     -17.8423      1.00000
     19     -17.6941      1.00000
     20     -17.6578      1.00000
     21     -17.3719      1.00000
     22     -17.3577      1.00000
     23     -17.2718      1.00000
     24     -16.4100      1.00000
     25     -16.3861      1.00000
     26     -15.9075      1.00000
     27     -15.3412      1.00000
     28     -15.3360      1.00000
     29     -15.0288      1.00000
     30     -15.0188      1.00000
     31     -14.7792      1.00000
     32     -14.7767      1.00000
     33     -14.2406      1.00000
     34     -14.1901      1.00000
     35     -13.3906      1.00000
     36     -13.3364      1.00000
     37     -13.1103      1.00000
     38     -13.1019      1.00000
     39     -12.9197      1.00000
     40     -12.9141      1.00000
     41     -12.5451      1.00000
     42     -12.5370      1.00000
     43     -12.1393      1.00000
     44     -11.5085      1.00000
     45     -11.4637      1.00000
     46     -11.2401      1.00000
     47     -11.2083      1.00000
     48     -11.0927      1.00000
     49     -10.7060      1.00000
     50     -10.5931      1.00000
     51     -10.5083      1.00000
     52     -10.2561      1.00000
     53     -10.2514      1.00000
     54     -10.1222      1.00000
     55     -10.0513      1.00000
     56     -10.0361      1.00000
     57      -9.7862      1.00000
     58      -9.6907      1.00000
     59      -9.6761      1.00000
     60      -9.6415      1.00000
     61      -9.6317      1.00000
     62      -9.5855      1.00000
     63      -9.2992      1.00000
     64      -9.2870      1.00000
     65      -9.2444      1.00000
     66      -9.0669      1.00000
     67      -8.8985      1.00000
     68      -8.8869      1.00000
     69      -8.7186      1.00000
     70      -8.5829      1.00000
     71      -8.5180      1.00000
     72      -8.3521      1.00000
     73      -8.3050      1.00000
     74      -8.2442      1.00000
     75      -8.2410      1.00000
     76      -8.1932      1.00000
     77      -8.1787      1.00000
     78      -8.1639      1.00000
     79      -8.1103      1.00000
     80      -7.6917      1.00000
     81      -7.4202      1.00000
     82      -7.3472      1.00000
     83      -7.2617      1.00000
     84      -7.1752      1.00000
     85      -7.1099      1.00000
     86      -7.0032      1.00000
     87      -6.9029      1.00000
     88      -6.8466      1.00000
     89      -6.5351      1.00000
     90      -6.5056      1.00000
     91      -6.2157      1.00000
     92      -6.1949      1.00000
     93      -5.8960      1.00000
     94      -5.6739      1.00000
     95      -5.6099      1.00000
     96      -5.5799      1.00000
     97      -5.2551      1.00000
     98      -5.2324      1.00000
     99      -5.1657      1.00000
    100      -5.1346      1.00000
    101      -4.5999      1.00000
    102      -4.2518      1.00000
    103      -4.0463      1.00000
    104      -3.8825      1.00000
    105      -3.8423      1.00000
    106      -3.7996      1.00000
    107      -1.8089      0.00000
    108      -1.7812      0.00000
    109      -1.2232      0.00000
    110      -1.1787      0.00000
    111      -0.9725      0.00000
    112      -0.7325      0.00000
    113      -0.6507      0.00000
    114      -0.5926      0.00000
    115      -0.5515      0.00000
    116      -0.1502      0.00000
    117       0.1754      0.00000
    118       0.2864      0.00000
    119       0.7039      0.00000
    120       0.9474      0.00000
    121       1.1693      0.00000
    122       1.2794      0.00000
    123       1.3449      0.00000
    124       1.5105      0.00000
    125       1.6076      0.00000
    126       1.6270      0.00000
    127       1.6925      0.00000
    128       1.7735      0.00000
    129       1.8582      0.00000
    130       2.0794      0.00000
    131       2.1638      0.00000
    132       2.3173      0.00000
    133       2.3899      0.00000
    134       2.4204      0.00000
    135       2.5530      0.00000
    136       2.6232      0.00000
    137       2.6846      0.00000
    138       2.7499      0.00000
    139       2.8168      0.00000
    140       2.9076      0.00000
    141       3.0533      0.00000
    142       3.0597      0.00000
    143       3.1785      0.00000
    144       3.2775      0.00000
    145       3.3760      0.00000
    146       3.4092      0.00000
    147       3.4551      0.00000
    148       3.5489      0.00000
    149       3.5693      0.00000
    150       3.6302      0.00000
    151       3.6618      0.00000
    152       3.7015      0.00000
    153       3.7846      0.00000
    154       3.8007      0.00000
    155       3.8202      0.00000
    156       3.8915      0.00000
    157       3.9022      0.00000
    158       3.9764      0.00000
    159       4.1882      0.00000
    160       4.2307      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0398   -7.2559    3.9846   -1.1324   -0.1855   17.3764    0.4912   -0.8141    0.7715   -0.4770
x    -3.1248   -0.0255   -0.0211   -0.0255    0.0910   -3.0536    0.0298   -0.0245    0.0084    0.0018
x    -0.0956   -0.0029    0.0035   -0.0031    0.0022   -0.0241    0.0000    0.0000   -0.0001    0.0001
x    -0.0035   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0398    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0035    0.0000    0.0004    0.0007    0.0029   -0.0981   -0.0318    0.0621    0.0182
y     0.0236   -3.2436   -0.1777    0.1701   -2.4142   -0.6650
z   204.0398    1.7396    0.2892    0.0893   -0.0013    0.0773   -0.0019    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1048    0.0015   -0.0010   -0.0001    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0013   -0.0001    0.0001    0.0000
z    -0.0001    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  -16.6971
z     0.1393    0.2302   -0.0309    0.0576   -0.0899    0.0006
 total charge-density along one line
x   212.0000  -10.0869    5.9316   -1.9413   -0.4210   19.2957   -0.6577    0.2076    0.0670   -0.1071
x    -2.7053   -0.0092    0.0012   -0.0443    0.0966   -2.3455    0.0473   -0.0345    0.0118    0.0024
x    -0.0857   -0.0055    0.0083   -0.0079    0.0054   -0.0374    0.0000   -0.0001    0.0004   -0.0004
x    -0.0054    0.0000   -0.0002    0.0001    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  -10.0869    5.9316   -1.9413   -0.4210   19.2957   -0.6577    0.2076    0.0670   -0.1071
y    -2.7053   -0.0092    0.0012   -0.0443    0.0966   -2.3455    0.0473   -0.0345    0.0118    0.0024
y    -0.0857   -0.0055    0.0083   -0.0079    0.0054   -0.0374    0.0000   -0.0001    0.0004   -0.0004
y    -0.0054    0.0000   -0.0002    0.0001    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 -205.3070  188.8742 -170.1704  154.0897 -140.4106  126.5061 -111.0249   94.7536  -79.0877
z    64.7216  -51.7874   40.5550  -31.5070   24.7876  -19.8635   15.8643  -12.2164    8.9101   -6.2239
z     4.2926   -2.9601    1.9619   -1.1535    0.5430   -0.1576   -0.0607    0.2213   -0.3837    0.5188
z    -0.5686    0.5251   -0.4412    0.3768   -0.3479    0.3293   -0.2951    0.2452   -0.1976    0.1643
z    -0.1415    0.1197   -0.0959    0.0749   -0.0611    0.0533   -0.0469    0.0391   -0.0314    0.0258
z    -0.0227    0.0203   -0.0173    0.0141   -0.0113    0.0093   -0.0076    0.0058   -0.0043    0.0032
z    -0.0022    0.0013   -0.0004   -0.0002    0.0004   -0.0004    0.0005   -0.0008    0.0009   -0.0007
z     0.0004   -0.0002    0.0001   -0.0001    0.0000    0.0001   -0.0003    0.0003   -0.0003    0.0003
z    -0.0003    0.0003   -0.0002    0.0002   -0.0002    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001
z     0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 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
-10.940   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.269   0.000  -0.101   0.000   0.000   0.239   0.000
  0.041   0.000 -11.245   0.000  -0.024  -0.006   0.000   0.238
  0.000  -0.101   0.000 -11.153   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.938   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.238   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.226   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.199   0.000   0.000   0.000
  0.036   0.000   0.101   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.025   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.940   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.269   0.000  -0.101   0.000   0.000   0.239   0.000
  0.041   0.000 -11.245   0.000  -0.024  -0.006   0.000   0.238
  0.000  -0.101   0.000 -11.153   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.938   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.238   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.226   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.199   0.000   0.000   0.000
  0.036   0.000   0.101   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.025   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.960   0.000  -0.027   0.000   0.002   0.021   0.000   0.057   0.000  -0.014  -0.026   0.026   0.000  -0.001   0.000   0.000
  0.000   1.587   0.000  -0.146   0.000   0.000   0.595   0.000   0.259   0.000   0.000   0.000   0.160   0.000   0.106  -0.035
 -0.027   0.000   1.788   0.000   0.019   0.044   0.000   0.356   0.000  -0.027  -0.233  -0.044   0.000   0.096   0.000   0.000
  0.000  -0.146   0.000   1.755   0.000   0.000   0.259   0.000   0.295   0.000   0.000   0.000   0.108   0.000   0.039   0.005
  0.002   0.000   0.019   0.000   1.966  -0.014   0.000  -0.035   0.000   0.003   0.010  -0.015   0.000   0.003   0.000   0.000
  0.021   0.000   0.044   0.000  -0.014   0.063   0.000   0.101   0.000  -0.024   0.192  -0.052   0.000   0.116   0.000   0.000
  0.000   0.595   0.000   0.259   0.000   0.000   0.329   0.000   0.106   0.000   0.000   0.000   0.057   0.000   0.066  -0.011
  0.057   0.000   0.356   0.000  -0.035   0.101   0.000   0.565   0.000  -0.057   0.703  -0.293   0.000   0.088   0.000   0.000
  0.000   0.259   0.000   0.295   0.000   0.000   0.106   0.000   0.207   0.000   0.000   0.000   0.065   0.000  -0.020  -0.006
 -0.014   0.000  -0.027   0.000   0.003  -0.024   0.000  -0.057   0.000   0.036  -0.109   0.030   0.000  -0.068   0.000   0.000
 -0.026   0.000  -0.233   0.000   0.010   0.192   0.000   0.703   0.000  -0.109   1.352  -0.433   0.000   0.266   0.000   0.000
  0.026   0.000  -0.044   0.000  -0.015  -0.052   0.000  -0.293   0.000   0.030  -0.433   0.193   0.000  -0.034   0.000   0.000
  0.000   0.160   0.000   0.108   0.000   0.000   0.057   0.000   0.065   0.000   0.000   0.000   0.043   0.000   0.012  -0.004
 -0.001   0.000   0.096   0.000   0.003   0.116   0.000   0.088   0.000  -0.068   0.266  -0.034   0.000   0.310   0.000   0.000
  0.000   0.106   0.000   0.039   0.000   0.000   0.066   0.000  -0.020   0.000   0.000   0.000   0.012   0.000   0.031  -0.002
  0.000  -0.035   0.000   0.005   0.000   0.000  -0.011   0.000  -0.006   0.000   0.000   0.000  -0.004   0.000  -0.002   0.001
  0.001   0.000  -0.037   0.000  -0.001  -0.005   0.000  -0.009   0.000   0.003  -0.006   0.000   0.000  -0.014   0.000   0.000
  0.000   0.005   0.000  -0.041   0.000   0.000  -0.006   0.000  -0.004   0.000   0.000   0.000  -0.002   0.000  -0.002   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        0.639   0.277   8.027   8.943
  2        0.514   0.028   0.000   0.542
  3        0.514   0.028   0.000   0.542
  4        0.864   1.783   0.000   2.647
  5        0.864   1.783   0.000   2.646
  6        0.864   1.782   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   1.783   0.000   2.647
 10        0.864   1.784   0.000   2.648
 11        0.863   1.783   0.000   2.646
 12        0.864   1.784   0.000   2.648
 13        0.864   1.783   0.000   2.646
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.863   1.777   0.000   2.640
 17        0.856   1.773   0.000   2.629
 18        0.864   1.784   0.000   2.647
 19        0.864   1.782   0.000   2.646
 20        0.864   1.782   0.000   2.646
 21        0.863   1.781   0.000   2.644
 22        0.863   1.776   0.000   2.640
 23        0.863   1.783   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   1.783   0.000   2.647
 29        0.864   1.783   0.000   2.647
 30        0.864   1.783   0.000   2.647
 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   1.782   0.000   2.646
 35        0.863   1.783   0.000   2.646
 36        0.863   1.776   0.000   2.640
 37        0.863   1.781   0.000   2.644
 38        0.864   1.782   0.000   2.646
 39        0.864   1.784   0.000   2.648
 40        0.864   1.784   0.000   2.647
 41        0.856   1.773   0.000   2.629
 42        0.863   1.777   0.000   2.640
 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   2.646
 46        0.864   1.784   0.000   2.648
 47        0.863   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   1.783   0.000   2.647
 51        0.864   1.784   0.000   2.648
 52        0.864   1.782   0.000   2.646
 53        0.864   1.783   0.000   2.646
------------------------------------------------
tot       44.832  89.436   8.027 142.295
 


 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  114.36: CPU time   57.68
    FORLOC:  VPU time    1.23: CPU time    1.24
    FORNL :  VPU time  442.14: CPU time  221.56
    STRESS:  VPU time 1329.37: CPU time  668.08
    FORCOR:  VPU time    8.69: CPU time    8.69
    FORHAR:  VPU time    2.27: CPU time    2.27
    MIXING:  VPU time    0.20: CPU time    0.20
 d Force = 0.6918118E-04[-0.209E-03, 0.347E-03]  d Energy = 0.1090095E-03-0.398E-04
 d Force = 0.1021515E+01[ 0.102E+01, 0.102E+01]  d Ewald  =-0.1685243E+01 0.271E+01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.644500 eV

  energy  without entropy=     -471.644500  energy(sigma->0) =     -471.644500
 

  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    40730.88  40746.71 -47431.85     13.71      0.00      0.00
  Hartree  40196.48  40200.25 -39450.87      3.26      0.00      0.00
  E(xc)     -779.74   -779.56   -807.27      0.16      0.00      0.00
  Local   -83220.51 -83234.16  84200.16    -11.82      0.00      0.00
  n-local   -215.73   -215.73   -203.80     -0.26      0.00      0.00
  augment     22.09     20.53     17.35     -1.35      0.00      0.00
  Kinetic   3168.26   3171.93   3582.17     -5.28      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.56      0.13     -0.18      0.59      0.00      0.00
  in kB       -0.34      0.08     -0.11      0.36      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
    12.349477348 -0.001628590  0.000000000     0.080981254  0.046768857  0.000000000
    -6.176155716 10.694142861  0.000000000     0.000012332  0.093516253  0.000000000
     0.000000000  0.000000000 19.976687958     0.000000000  0.000000000  0.050058348

  length of vectors
    12.349477455 12.349477356 19.976687958     0.093516253  0.093516254  0.050058348


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.518E-05 -.450E-04 -.960E+03   0.433E-05 -.275E-04 0.968E+03   -.837E-21 0.000E+00 -.786E+01   0.482E-06 -.280E-06 0.946E-03
   -.175E+02 -.304E+02 -.136E+03   0.184E+02 0.318E+02 0.139E+03   -.829E+00 -.144E+01 -.258E+01   -.123E-03 -.214E-03 0.192E-03
   0.175E+02 0.304E+02 -.136E+03   -.184E+02 -.318E+02 0.139E+03   0.829E+00 0.144E+01 -.258E+01   0.123E-03 0.214E-03 0.192E-03
   -.203E+01 0.117E+01 0.169E+02   0.204E+01 -.118E+01 -.169E+02   -.123E-01 0.710E-02 -.696E-02   -.478E-03 0.273E-03 -.104E-02
   0.572E+01 0.696E+01 0.196E+02   -.573E+01 -.700E+01 -.196E+02   0.277E-02 0.341E-01 -.207E-01   -.113E-02 0.519E-03 -.109E-02
   0.112E+02 0.506E+01 0.183E+02   -.112E+02 -.506E+01 -.183E+02   0.182E-01 0.114E-01 -.560E-01   -.925E-03 -.337E-03 -.466E-03
   0.448E+01 -.994E+00 0.164E+02   -.450E+01 0.102E+01 -.164E+02   0.159E-01 -.143E-01 -.261E-02   -.846E-03 0.614E-03 -.890E-04
   -.299E+01 -.234E+01 0.149E+02   0.300E+01 0.236E+01 -.149E+02   -.182E-01 -.126E-01 -.206E-02   -.584E-03 0.828E-03 -.518E-03
   0.533E+00 0.377E+01 0.149E+02   -.544E+00 -.378E+01 -.149E+02   0.180E-02 0.220E-01 -.206E-02   -.101E-02 0.863E-04 -.522E-03
   0.267E+01 0.182E+02 0.246E+02   -.268E+01 -.183E+02 -.246E+02   0.715E-02 0.117E+00 -.918E-02   -.699E-03 -.678E-03 -.734E-03
   0.214E+02 0.227E+02 0.400E+02   -.215E+02 -.230E+02 -.400E+02   0.114E+00 0.228E+00 -.154E-01   -.772E-03 0.114E-02 -.572E-03
   0.265E+02 -.445E+01 0.270E+02   -.267E+02 0.456E+01 -.270E+02   0.232E+00 -.118E+00 -.562E-01   -.436E-03 0.781E-03 -.175E-04
   0.907E+01 -.524E+01 0.154E+02   -.909E+01 0.525E+01 -.154E+02   0.165E-01 -.951E-02 0.103E-02   -.125E-02 0.713E-03 -.213E-03
   0.310E+01 -.338E+01 0.164E+02   -.313E+01 0.339E+01 -.164E+02   0.203E-01 -.663E-02 -.261E-02   -.957E-03 0.421E-03 -.973E-04
   -.610E+01 0.132E+02 0.201E+02   0.610E+01 -.133E+02 -.201E+02   -.110E-01 0.787E-01 -.791E-02   -.519E-03 0.631E-05 -.101E-03
   -.124E+02 0.336E+02 0.461E+02   0.125E+02 -.342E+02 -.465E+02   -.928E-01 0.683E+00 0.350E+00   -.865E-03 0.103E-02 -.517E-03
   0.264E+02 -.152E+02 0.696E+02   -.274E+02 0.158E+02 -.717E+02   0.973E+00 -.562E+00 0.210E+01   -.517E-03 0.296E-03 -.136E-02
   0.171E+02 -.207E+02 0.270E+02   -.173E+02 0.208E+02 -.270E+02   0.219E+00 -.142E+00 -.562E-01   -.897E-03 -.203E-04 -.223E-04
   0.122E+01 -.122E+02 0.183E+02   -.123E+01 0.123E+02 -.183E+02   -.793E-03 -.214E-01 -.560E-01   -.168E-03 0.969E-03 -.472E-03
   -.392E+01 0.161E+01 0.144E+02   0.391E+01 -.161E+01 -.143E+02   -.106E-01 0.393E-02 -.408E-01   -.285E-03 0.656E-03 -.248E-03
   -.183E+02 0.106E+02 0.211E+02   0.184E+02 -.106E+02 -.209E+02   -.664E-01 0.383E-01 -.127E+00   -.601E-03 0.350E-03 0.192E-04
   -.353E+02 -.606E+01 0.461E+02   0.359E+02 0.632E+01 -.465E+02   -.637E+00 -.261E+00 0.350E+00   -.132E-02 0.232E-03 -.514E-03
   -.897E+01 -.299E+02 0.400E+02   0.910E+01 0.301E+02 -.400E+02   -.140E+00 -.213E+00 -.154E-01   -.137E-02 0.942E-04 -.574E-03
   -.317E+01 -.843E+01 0.196E+02   0.320E+01 0.846E+01 -.196E+02   -.282E-01 -.195E-01 -.207E-01   -.101E-02 0.714E-03 -.109E-02
   0.120E+01 -.694E+00 0.146E+02   -.121E+01 0.697E+00 -.146E+02   -.502E-02 0.290E-02 -.318E-01   -.953E-03 0.552E-03 -.746E-03
   -.335E+01 0.259E+01 0.144E+02   0.335E+01 -.259E+01 -.143E+02   -.870E-02 0.721E-02 -.408E-01   -.709E-03 -.766E-04 -.243E-03
   -.145E+02 -.132E+01 0.201E+02   0.145E+02 0.136E+01 -.201E+02   -.737E-01 -.298E-01 -.791E-02   -.263E-03 0.444E-03 -.930E-04
   -.144E+02 -.114E+02 0.246E+02   0.145E+02 0.115E+02 -.246E+02   -.975E-01 -.645E-01 -.918E-02   0.239E-03 0.939E-03 -.731E-03
   0.317E+01 0.843E+01 0.196E+02   -.320E+01 -.846E+01 -.196E+02   0.282E-01 0.195E-01 -.207E-01   0.101E-02 -.714E-03 -.109E-02
   0.144E+02 0.114E+02 0.246E+02   -.145E+02 -.115E+02 -.246E+02   0.975E-01 0.645E-01 -.918E-02   -.239E-03 -.939E-03 -.731E-03
   0.145E+02 0.132E+01 0.201E+02   -.145E+02 -.136E+01 -.201E+02   0.737E-01 0.298E-01 -.791E-02   0.263E-03 -.444E-03 -.931E-04
   0.335E+01 -.259E+01 0.144E+02   -.335E+01 0.259E+01 -.143E+02   0.870E-02 -.721E-02 -.408E-01   0.708E-03 0.767E-04 -.243E-03
   -.120E+01 0.694E+00 0.146E+02   0.121E+01 -.697E+00 -.146E+02   0.502E-02 -.290E-02 -.318E-01   0.953E-03 -.552E-03 -.746E-03
   -.122E+01 0.122E+02 0.183E+02   0.123E+01 -.123E+02 -.183E+02   0.793E-03 0.214E-01 -.560E-01   0.168E-03 -.969E-03 -.472E-03
   0.897E+01 0.299E+02 0.400E+02   -.910E+01 -.301E+02 -.400E+02   0.140E+00 0.213E+00 -.154E-01   0.137E-02 -.943E-04 -.574E-03
   0.353E+02 0.606E+01 0.461E+02   -.359E+02 -.632E+01 -.465E+02   0.637E+00 0.261E+00 0.350E+00   0.132E-02 -.232E-03 -.514E-03
   0.183E+02 -.106E+02 0.211E+02   -.184E+02 0.106E+02 -.209E+02   0.664E-01 -.383E-01 -.127E+00   0.601E-03 -.350E-03 0.191E-04
   0.392E+01 -.161E+01 0.144E+02   -.391E+01 0.161E+01 -.143E+02   0.106E-01 -.393E-02 -.408E-01   0.285E-03 -.656E-03 -.248E-03
   -.310E+01 0.338E+01 0.164E+02   0.313E+01 -.339E+01 -.164E+02   -.203E-01 0.663E-02 -.261E-02   0.957E-03 -.421E-03 -.973E-04
   -.171E+02 0.207E+02 0.270E+02   0.173E+02 -.208E+02 -.270E+02   -.219E+00 0.142E+00 -.562E-01   0.897E-03 0.204E-04 -.222E-04
   -.264E+02 0.152E+02 0.696E+02   0.274E+02 -.158E+02 -.717E+02   -.973E+00 0.562E+00 0.210E+01   0.518E-03 -.296E-03 -.136E-02
   0.124E+02 -.336E+02 0.461E+02   -.125E+02 0.342E+02 -.465E+02   0.928E-01 -.683E+00 0.350E+00   0.866E-03 -.103E-02 -.517E-03
   0.610E+01 -.132E+02 0.201E+02   -.610E+01 0.133E+02 -.201E+02   0.110E-01 -.787E-01 -.791E-02   0.519E-03 -.618E-05 -.101E-03
   -.533E+00 -.377E+01 0.149E+02   0.544E+00 0.378E+01 -.149E+02   -.180E-02 -.220E-01 -.206E-02   0.101E-02 -.862E-04 -.522E-03
   -.907E+01 0.524E+01 0.154E+02   0.909E+01 -.525E+01 -.154E+02   -.165E-01 0.951E-02 0.103E-02   0.125E-02 -.713E-03 -.213E-03
   -.265E+02 0.445E+01 0.270E+02   0.267E+02 -.457E+01 -.270E+02   -.232E+00 0.118E+00 -.562E-01   0.436E-03 -.781E-03 -.174E-04
   -.214E+02 -.227E+02 0.400E+02   0.215E+02 0.230E+02 -.400E+02   -.114E+00 -.228E+00 -.154E-01   0.773E-03 -.114E-02 -.572E-03
   -.267E+01 -.182E+02 0.246E+02   0.268E+01 0.183E+02 -.246E+02   -.715E-02 -.117E+00 -.918E-02   0.699E-03 0.678E-03 -.734E-03
   0.203E+01 -.117E+01 0.169E+02   -.204E+01 0.118E+01 -.169E+02   0.123E-01 -.710E-02 -.696E-02   0.479E-03 -.273E-03 -.104E-02
   0.299E+01 0.234E+01 0.149E+02   -.300E+01 -.236E+01 -.149E+02   0.182E-01 0.126E-01 -.206E-02   0.584E-03 -.827E-03 -.518E-03
   -.448E+01 0.994E+00 0.164E+02   0.450E+01 -.102E+01 -.164E+02   -.159E-01 0.143E-01 -.261E-02   0.846E-03 -.614E-03 -.889E-04
   -.112E+02 -.506E+01 0.183E+02   0.112E+02 0.506E+01 -.183E+02   -.182E-01 -.114E-01 -.560E-01   0.925E-03 0.337E-03 -.466E-03
   -.572E+01 -.696E+01 0.196E+02   0.573E+01 0.700E+01 -.196E+02   -.277E-02 -.341E-01 -.207E-01   0.113E-02 -.519E-03 -.109E-02
 -----------------------------------------------------------------------------------------------
   -.180E-02 0.298E-03 0.861E+01   0.366E-12 -.167E-12 0.828E-12   -.295E-16 0.284E-15 -.860E+01   0.443E-06 -.245E-06 -.228E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85162      6.05931     12.33286         0.000000      0.000000      0.005257
      2.25880      6.76457     13.65198         0.007079      0.012261      0.015815
      1.44444      5.35405     13.65198        -0.007079     -0.012261      0.015815
      0.00070     -0.00040      9.95776        -0.009876      0.005702     -0.003706
     11.11358      2.13598      9.95956        -0.009250      0.001107     -0.004194
      9.87736      4.27543      9.97111        -0.016285      0.008040     -0.001601
      8.64325      6.41477      9.97004        -0.013017      0.009079     -0.000044
     -4.93914      8.55533      9.96587        -0.011450      0.005272     -0.002060
      2.47077     -0.00188      9.96587        -0.010290      0.007280     -0.002060
      1.23448      2.13517      9.97078        -0.008462      0.016196     -0.001374
     -0.00497      4.27419      9.99891        -0.009801     -0.003016      0.002388
     -1.24018      6.41524     10.00486        -0.012808      0.002147      0.001878
     -2.46971      8.55423      9.97832        -0.005029      0.002904     -0.001177
      4.93960     -0.00014      9.97004        -0.014371      0.006733     -0.000044
      3.70512      2.13500      9.97788        -0.015032      0.011206      0.002050
      2.47011      4.26163     10.04250        -0.004928      0.005590      0.001609
      1.22698      6.41994     10.11459        -0.004283      0.002473     -0.005461
     -0.00252      8.55892     10.00486        -0.008264      0.010018      0.001878
      7.40937      0.00075      9.97111        -0.015105      0.010083     -0.001601
      6.17404      2.13802      9.97120        -0.012040      0.003518     -0.001216
      4.94015      4.27615      9.99916        -0.006531      0.003771     -0.000023
      3.71770      6.42251     10.04250        -0.007305      0.001473      0.001609
      2.46929      8.55972      9.99891        -0.002289      0.009996      0.002388
      9.88030     -0.00012      9.95956        -0.005583      0.007457     -0.004194
      8.64369      2.13791      9.96237        -0.009846      0.005685     -0.002947
      7.40877      4.27663      9.97120        -0.009067      0.008668     -0.001216
      6.17692      6.41629      9.97788        -0.017220      0.007415      0.002050
      4.94145      8.55583      9.97078        -0.018257     -0.000769     -0.001374
     -0.00091      1.42459      9.95956         0.005583     -0.007457     -0.004194
     -1.23822      3.56278      9.97078         0.018257      0.000769     -0.001374
     -2.47368      5.70233      9.97788         0.017220     -0.007415      0.002050
     -3.70553      7.84199      9.97120         0.009067     -0.008668     -0.001216
     -4.94045      9.98071      9.96237         0.009846     -0.005685     -0.002947
      2.47002      1.42372      9.97111         0.015105     -0.010083     -0.001601
      1.23395      3.55890      9.99891         0.002289     -0.009996      0.002388
     -0.01446      5.69610     10.04250         0.007305     -0.001473      0.001609
     -1.23691      7.84247      9.99916         0.006531     -0.003771     -0.000023
     -2.47080      9.98060      9.97120         0.012040     -0.003518     -0.001216
      4.93980      1.42462      9.97004         0.014371     -0.006733     -0.000044
      3.70576      3.55970     10.00486         0.008264     -0.010018      0.001878
      2.47626      5.69867     10.11459         0.004283     -0.002473     -0.005461
      1.23312      7.85698     10.04250         0.004928     -0.005590      0.001609
     -0.00188      9.98361      9.97788         0.015032     -0.011206      0.002050
      7.40862      1.42635      9.96587         0.010290     -0.007280     -0.002060
      6.17295      3.56439      9.97832         0.005029     -0.002904     -0.001177
      4.94342      5.70338     10.00486         0.012808     -0.002147      0.001878
      3.70821      7.84443      9.99891         0.009801      0.003016      0.002388
      2.46875      9.98345      9.97078         0.008462     -0.016196     -0.001374
      9.87870      1.42488      9.95776         0.009876     -0.005702     -0.003706
      8.64238      3.56329      9.96587         0.011450     -0.005272     -0.002060
      7.40947      5.70222      9.97004         0.013017     -0.009079     -0.000044
      6.17535      7.84155      9.97111         0.016285     -0.008040     -0.001601
      4.93913      9.98101      9.95956         0.009250     -0.001107     -0.004194
 -----------------------------------------------------------------------------------
    total drift:                               -0.001800      0.000298     -0.008132


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


 Conjugate gradient step on ions:
 trial-energy change:   -0.000109  1 .order   -0.000101   -0.001296    0.001094
  (g-gl).g = 0.164E-02      g.g   = 0.155E-02  gl.gl    = 0.321E-01
 g(Force)  = 0.575E-03   g(Stress)= 0.970E-03 ortho     =-0.900E-04
 gamma     =   0.05098
 trial     =   0.84118
 opt step  =   0.45615  (harmonic =   0.45615) maximal distance =0.00048951
 next E    =  -471.644743   (d E  =  -0.00035)


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


    WAVPRE:  VPU time    1.95: CPU time    1.95
    FEWALD:  VPU time    0.02: CPU time    0.01
    GENKIN:  VPU time    1.34: CPU time    1.35
    ORTHCH:  VPU time  183.46: CPU time   92.07
     LOOP+:  VPU time 9294.50: CPU time 4795.92


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


    POTLOK:  VPU time    9.28: CPU time    9.16
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1839.02: CPU time  947.20
 BZINTS: Fermi energy: -3.078869;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  116.29: CPU time   58.61
    MIXING:  VPU time    0.16: CPU time    0.16
    ------------------------------------------
      LOOP:  VPU time 1965.18: CPU time 1015.51

 eigenvalue-minimisations  :  5984
 total energy-change (2. order) :-0.4716448E+03  (-0.8834390E-03)
 number of electron  212.0000029 magnetization    0.0000000
 augmentation part     7.9599922 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.46138E-02    rms(broyden)= 0.46128E-02
  rms(prec ) = 0.49472E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34044.98780939
  -1/2 Hartree   DENC   =    -40945.13791242
  -V(xc)+E(xc)   XCENC  =       726.61145496
  PAW double counting   =      4092.97245962    -4131.35663957
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.16183676
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64481118 eV

  energy without entropy =     -471.64481118  energy(sigma->0) =     -471.64481118


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




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


    POTLOK:  VPU time    9.00: CPU time    9.01
    SETDIJ:  VPU time    0.34: CPU time    0.33
    EDDAV :  VPU time 1492.35: CPU time  768.97
 BZINTS: Fermi energy: -3.079058;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1501.75: CPU time  778.35

 eigenvalue-minimisations  :  4560
 total energy-change (2. order) : 0.4193668E-04  (-0.1971282E-04)
 number of electron  212.0000029 magnetization    0.0000000
 augmentation part     7.9599922 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34044.98780939
  -1/2 Hartree   DENC   =    -40945.11657346
  -V(xc)+E(xc)   XCENC  =       726.61008740
  PAW double counting   =      4092.93155424    -4131.31580191
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.18169849
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64476924 eV

  energy without entropy =     -471.64476924  energy(sigma->0) =     -471.64476924


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




 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 -58.5410       2 -39.9832       3 -39.9832       4 -58.2438       5 -58.2482
       6 -58.2555       7 -58.2465       8 -58.2445       9 -58.2445      10 -58.2604
      11 -58.3155      12 -58.2922      13 -58.2496      14 -58.2465      15 -58.2576
      16 -58.4375      17 -58.7315      18 -58.2922      19 -58.2555      20 -58.2500
      21 -58.2771      22 -58.4375      23 -58.3155      24 -58.2482      25 -58.2432
      26 -58.2500      27 -58.2576      28 -58.2604      29 -58.2481      30 -58.2603
      31 -58.2575      32 -58.2499      33 -58.2431      34 -58.2554      35 -58.3154
      36 -58.4375      37 -58.2771      38 -58.2499      39 -58.2464      40 -58.2921
      41 -58.7314      42 -58.4375      43 -58.2575      44 -58.2444      45 -58.2495
      46 -58.2921      47 -58.3154      48 -58.2603      49 -58.2437      50 -58.2444
      51 -58.2464      52 -58.2555      53 -58.2481
 
 
 
 E-fermi :  -3.0791     XC(G=0):  -2.3461     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     -22.3558      1.00000
      2     -21.5363      1.00000
      3     -21.4064      1.00000
      4     -21.4054      1.00000
      5     -21.3743      1.00000
      6     -21.3651      1.00000
      7     -21.3578      1.00000
      8     -19.6458      1.00000
      9     -19.5716      1.00000
     10     -19.5645      1.00000
     11     -19.5581      1.00000
     12     -19.5396      1.00000
     13     -19.5367      1.00000
     14     -18.7278      1.00000
     15     -18.6792      1.00000
     16     -18.6716      1.00000
     17     -18.6580      1.00000
     18     -18.6425      1.00000
     19     -18.6408      1.00000
     20     -16.5861      1.00000
     21     -16.5255      1.00000
     22     -16.5235      1.00000
     23     -16.5109      1.00000
     24     -16.4861      1.00000
     25     -16.4848      1.00000
     26     -15.5594      1.00000
     27     -15.5251      1.00000
     28     -15.5241      1.00000
     29     -15.4986      1.00000
     30     -15.4955      1.00000
     31     -15.4876      1.00000
     32     -14.2062      1.00000
     33     -14.1799      1.00000
     34     -14.1664      1.00000
     35     -14.1643      1.00000
     36     -14.1597      1.00000
     37     -14.1481      1.00000
     38     -11.8845      1.00000
     39     -11.8077      1.00000
     40     -11.7921      1.00000
     41     -11.7907      1.00000
     42     -11.7886      1.00000
     43     -11.7820      1.00000
     44     -11.7040      1.00000
     45     -11.6978      1.00000
     46     -11.6726      1.00000
     47     -11.6570      1.00000
     48     -11.6567      1.00000
     49     -11.6504      1.00000
     50     -10.6748      1.00000
     51     -10.3291      1.00000
     52     -10.3204      1.00000
     53     -10.3047      1.00000
     54     -10.3044      1.00000
     55     -10.2899      1.00000
     56     -10.2770      1.00000
     57      -9.9286      1.00000
     58      -9.3726      1.00000
     59      -9.3589      1.00000
     60      -9.2998      1.00000
     61      -9.2915      1.00000
     62      -9.2847      1.00000
     63      -9.0922      1.00000
     64      -9.0532      1.00000
     65      -9.0490      1.00000
     66      -9.0261      1.00000
     67      -9.0068      1.00000
     68      -9.0016      1.00000
     69      -9.0004      1.00000
     70      -8.9941      1.00000
     71      -8.9914      1.00000
     72      -8.9725      1.00000
     73      -8.9640      1.00000
     74      -8.9535      1.00000
     75      -8.5008      1.00000
     76      -7.5146      1.00000
     77      -7.4101      1.00000
     78      -7.4098      1.00000
     79      -7.4011      1.00000
     80      -7.3836      1.00000
     81      -7.3638      1.00000
     82      -7.3410      1.00000
     83      -7.3074      1.00000
     84      -7.2687      1.00000
     85      -7.2061      1.00000
     86      -7.1797      1.00000
     87      -7.1794      1.00000
     88      -7.0744      1.00000
     89      -6.5095      1.00000
     90      -6.4611      1.00000
     91      -6.3549      1.00000
     92      -6.2930      1.00000
     93      -6.2872      1.00000
     94      -6.2861      1.00000
     95      -5.8975      1.00000
     96      -5.8836      1.00000
     97      -5.0509      1.00000
     98      -4.9372      1.00000
     99      -4.5397      1.00000
    100      -4.3403      1.00000
    101      -4.3175      1.00000
    102      -4.3168      1.00000
    103      -4.1146      1.00000
    104      -3.9129      1.00000
    105      -3.9013      1.00000
    106      -3.8362      1.00000
    107      -1.6809      0.00000
    108      -1.6680      0.00000
    109      -1.5365      0.00000
    110      -1.5355      0.00000
    111      -1.5217      0.00000
    112      -1.5087      0.00000
    113      -0.5834      0.00000
    114       0.1340      0.00000
    115       0.2060      0.00000
    116       0.3244      0.00000
    117       0.3271      0.00000
    118       0.3344      0.00000
    119       0.4969      0.00000
    120       0.5951      0.00000
    121       1.2589      0.00000
    122       1.2727      0.00000
    123       1.5261      0.00000
    124       1.7931      0.00000
    125       1.8025      0.00000
    126       1.8060      0.00000
    127       1.8104      0.00000
    128       1.9462      0.00000
    129       1.9791      0.00000
    130       2.0323      0.00000
    131       2.0456      0.00000
    132       2.0507      0.00000
    133       2.0548      0.00000
    134       2.0605      0.00000
    135       2.3058      0.00000
    136       2.3239      0.00000
    137       2.6090      0.00000
    138       2.6169      0.00000
    139       2.6440      0.00000
    140       2.7224      0.00000
    141       2.8607      0.00000
    142       3.0235      0.00000
    143       3.0528      0.00000
    144       3.0809      0.00000
    145       3.0948      0.00000
    146       3.0951      0.00000
    147       3.0991      0.00000
    148       3.2302      0.00000
    149       3.4469      0.00000
    150       3.5373      0.00000
    151       3.7861      0.00000
    152       3.9411      0.00000
    153       3.9424      0.00000
    154       3.9540      0.00000
    155       3.9567      0.00000
    156       3.9967      0.00000
    157       4.1775      0.00000
    158       4.2653      0.00000
    159       4.2862      0.00000
    160       4.2865      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3192      1.00000
      2     -21.7607      1.00000
      3     -21.5700      1.00000
      4     -21.5371      1.00000
      5     -21.2072      1.00000
      6     -21.1622      1.00000
      7     -20.9865      1.00000
      8     -20.1011      1.00000
      9     -20.0569      1.00000
     10     -19.5458      1.00000
     11     -19.5210      1.00000
     12     -19.3485      1.00000
     13     -19.0242      1.00000
     14     -18.9889      1.00000
     15     -18.9808      1.00000
     16     -18.9685      1.00000
     17     -18.2969      1.00000
     18     -18.2774      1.00000
     19     -17.9515      1.00000
     20     -17.0094      1.00000
     21     -16.9591      1.00000
     22     -16.8783      1.00000
     23     -16.8677      1.00000
     24     -16.4044      1.00000
     25     -16.3891      1.00000
     26     -15.5524      1.00000
     27     -15.5347      1.00000
     28     -15.1979      1.00000
     29     -15.1685      1.00000
     30     -15.1138      1.00000
     31     -15.0267      1.00000
     32     -15.0019      1.00000
     33     -14.6360      1.00000
     34     -14.6239      1.00000
     35     -13.6671      1.00000
     36     -13.6515      1.00000
     37     -13.1689      1.00000
     38     -12.5506      1.00000
     39     -12.5167      1.00000
     40     -12.3904      1.00000
     41     -12.3771      1.00000
     42     -12.0573      1.00000
     43     -12.0342      1.00000
     44     -11.6592      1.00000
     45     -11.6167      1.00000
     46     -11.1810      1.00000
     47     -11.1556      1.00000
     48     -10.9649      1.00000
     49     -10.9399      1.00000
     50     -10.8739      1.00000
     51     -10.8366      1.00000
     52     -10.6029      1.00000
     53     -10.0934      1.00000
     54     -10.0877      1.00000
     55     -10.0464      1.00000
     56      -9.9702      1.00000
     57      -9.6545      1.00000
     58      -9.6283      1.00000
     59      -9.5918      1.00000
     60      -9.5290      1.00000
     61      -9.5110      1.00000
     62      -9.4783      1.00000
     63      -9.2644      1.00000
     64      -9.2405      1.00000
     65      -9.2205      1.00000
     66      -9.1659      1.00000
     67      -9.0680      1.00000
     68      -9.0460      1.00000
     69      -9.0404      1.00000
     70      -8.8824      1.00000
     71      -8.8060      1.00000
     72      -8.5788      1.00000
     73      -8.5220      1.00000
     74      -8.4613      1.00000
     75      -8.0345      1.00000
     76      -7.8117      1.00000
     77      -7.8068      1.00000
     78      -7.7924      1.00000
     79      -7.6995      1.00000
     80      -7.6902      1.00000
     81      -7.3636      1.00000
     82      -7.2732      1.00000
     83      -7.2639      1.00000
     84      -7.2155      1.00000
     85      -7.1723      1.00000
     86      -7.0082      1.00000
     87      -6.9472      1.00000
     88      -6.7471      1.00000
     89      -6.6720      1.00000
     90      -6.5937      1.00000
     91      -6.5589      1.00000
     92      -6.0501      1.00000
     93      -6.0472      1.00000
     94      -6.0217      1.00000
     95      -5.9584      1.00000
     96      -5.7362      1.00000
     97      -5.1580      1.00000
     98      -4.9901      1.00000
     99      -4.7188      1.00000
    100      -4.6106      1.00000
    101      -4.4401      1.00000
    102      -4.3735      1.00000
    103      -4.1221      1.00000
    104      -3.8681      1.00000
    105      -3.8360      1.00000
    106      -3.7905      1.00000
    107      -1.7852      0.00000
    108      -1.7381      0.00000
    109      -1.3939      0.00000
    110      -1.3463      0.00000
    111      -1.2636      0.00000
    112      -1.2256      0.00000
    113      -0.7440      0.00000
    114      -0.3783      0.00000
    115      -0.2203      0.00000
    116      -0.0172      0.00000
    117       0.5901      0.00000
    118       0.7362      0.00000
    119       0.7640      0.00000
    120       1.0498      0.00000
    121       1.1417      0.00000
    122       1.2508      0.00000
    123       1.2715      0.00000
    124       1.4134      0.00000
    125       1.4784      0.00000
    126       1.5849      0.00000
    127       1.7559      0.00000
    128       1.8393      0.00000
    129       1.8958      0.00000
    130       1.9591      0.00000
    131       2.1063      0.00000
    132       2.2337      0.00000
    133       2.2482      0.00000
    134       2.2939      0.00000
    135       2.4867      0.00000
    136       2.6123      0.00000
    137       2.6356      0.00000
    138       2.7652      0.00000
    139       2.7954      0.00000
    140       2.8550      0.00000
    141       2.8657      0.00000
    142       2.8920      0.00000
    143       2.9564      0.00000
    144       3.0796      0.00000
    145       3.2792      0.00000
    146       3.3021      0.00000
    147       3.3727      0.00000
    148       3.4058      0.00000
    149       3.4645      0.00000
    150       3.5841      0.00000
    151       3.6349      0.00000
    152       3.6687      0.00000
    153       3.7054      0.00000
    154       3.9032      0.00000
    155       3.9382      0.00000
    156       3.9804      0.00000
    157       4.0805      0.00000
    158       4.2004      0.00000
    159       4.2418      0.00000
    160       4.2950      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2136      1.00000
      2     -22.0073      1.00000
      3     -21.6487      1.00000
      4     -21.6115      1.00000
      5     -20.9125      1.00000
      6     -20.8660      1.00000
      7     -20.5452      1.00000
      8     -20.5056      1.00000
      9     -20.4953      1.00000
     10     -19.9630      1.00000
     11     -19.4420      1.00000
     12     -19.4147      1.00000
     13     -19.2411      1.00000
     14     -19.2266      1.00000
     15     -18.3837      1.00000
     16     -18.3393      1.00000
     17     -17.8596      1.00000
     18     -17.8383      1.00000
     19     -17.6975      1.00000
     20     -17.6548      1.00000
     21     -17.3717      1.00000
     22     -17.3553      1.00000
     23     -17.2741      1.00000
     24     -16.4007      1.00000
     25     -16.3858      1.00000
     26     -15.8954      1.00000
     27     -15.3528      1.00000
     28     -15.3363      1.00000
     29     -15.0348      1.00000
     30     -15.0202      1.00000
     31     -14.7997      1.00000
     32     -14.7747      1.00000
     33     -14.2211      1.00000
     34     -14.1890      1.00000
     35     -13.3704      1.00000
     36     -13.3364      1.00000
     37     -13.1197      1.00000
     38     -13.1021      1.00000
     39     -12.9155      1.00000
     40     -12.9019      1.00000
     41     -12.5566      1.00000
     42     -12.5385      1.00000
     43     -12.1325      1.00000
     44     -11.5221      1.00000
     45     -11.4736      1.00000
     46     -11.2539      1.00000
     47     -11.2195      1.00000
     48     -11.0790      1.00000
     49     -10.6603      1.00000
     50     -10.5879      1.00000
     51     -10.5239      1.00000
     52     -10.2568      1.00000
     53     -10.2487      1.00000
     54     -10.1228      1.00000
     55     -10.0482      1.00000
     56     -10.0408      1.00000
     57      -9.7701      1.00000
     58      -9.7044      1.00000
     59      -9.6797      1.00000
     60      -9.6302      1.00000
     61      -9.6252      1.00000
     62      -9.5874      1.00000
     63      -9.2942      1.00000
     64      -9.2847      1.00000
     65      -9.2532      1.00000
     66      -9.0892      1.00000
     67      -8.8961      1.00000
     68      -8.8833      1.00000
     69      -8.7245      1.00000
     70      -8.5896      1.00000
     71      -8.5140      1.00000
     72      -8.3305      1.00000
     73      -8.3024      1.00000
     74      -8.2644      1.00000
     75      -8.2323      1.00000
     76      -8.1947      1.00000
     77      -8.1859      1.00000
     78      -8.1706      1.00000
     79      -8.1022      1.00000
     80      -7.6883      1.00000
     81      -7.3564      1.00000
     82      -7.3098      1.00000
     83      -7.2637      1.00000
     84      -7.1872      1.00000
     85      -7.1248      1.00000
     86      -7.0765      1.00000
     87      -6.9068      1.00000
     88      -6.8822      1.00000
     89      -6.5494      1.00000
     90      -6.4919      1.00000
     91      -6.2099      1.00000
     92      -6.0702      1.00000
     93      -5.9421      1.00000
     94      -5.7158      1.00000
     95      -5.6329      1.00000
     96      -5.4525      1.00000
     97      -5.3052      1.00000
     98      -5.2339      1.00000
     99      -5.1519      1.00000
    100      -5.1513      1.00000
    101      -4.5237      1.00000
    102      -4.4700      1.00000
    103      -4.1437      1.00000
    104      -3.8389      1.00000
    105      -3.7572      1.00000
    106      -3.6793      1.00000
    107      -1.8709      0.00000
    108      -1.8237      0.00000
    109      -1.2763      0.00000
    110      -1.0363      0.00000
    111      -1.0113      0.00000
    112      -0.7115      0.00000
    113      -0.6400      0.00000
    114      -0.5879      0.00000
    115      -0.5457      0.00000
    116      -0.2006      0.00000
    117       0.2529      0.00000
    118       0.2790      0.00000
    119       0.7600      0.00000
    120       0.9453      0.00000
    121       1.1319      0.00000
    122       1.2258      0.00000
    123       1.3202      0.00000
    124       1.4122      0.00000
    125       1.6000      0.00000
    126       1.6337      0.00000
    127       1.6993      0.00000
    128       1.8241      0.00000
    129       1.9180      0.00000
    130       2.0099      0.00000
    131       2.1050      0.00000
    132       2.3274      0.00000
    133       2.3958      0.00000
    134       2.4312      0.00000
    135       2.5403      0.00000
    136       2.6336      0.00000
    137       2.7536      0.00000
    138       2.8181      0.00000
    139       2.8316      0.00000
    140       2.8863      0.00000
    141       3.0409      0.00000
    142       3.0884      0.00000
    143       3.1846      0.00000
    144       3.2374      0.00000
    145       3.3839      0.00000
    146       3.4210      0.00000
    147       3.4788      0.00000
    148       3.5730      0.00000
    149       3.5984      0.00000
    150       3.6269      0.00000
    151       3.6503      0.00000
    152       3.7413      0.00000
    153       3.7696      0.00000
    154       3.7846      0.00000
    155       3.8043      0.00000
    156       3.8936      0.00000
    157       3.9743      0.00000
    158       4.0051      0.00000
    159       4.1728      0.00000
    160       4.2363      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2474      1.00000
      2     -21.8931      1.00000
      3     -21.8224      1.00000
      4     -21.3111      1.00000
      5     -21.2808      1.00000
      6     -20.7698      1.00000
      7     -20.7040      1.00000
      8     -20.5555      1.00000
      9     -20.0082      1.00000
     10     -20.0008      1.00000
     11     -19.6473      1.00000
     12     -19.6229      1.00000
     13     -18.9288      1.00000
     14     -18.9204      1.00000
     15     -18.5699      1.00000
     16     -18.5560      1.00000
     17     -18.3932      1.00000
     18     -17.6145      1.00000
     19     -17.5582      1.00000
     20     -17.5530      1.00000
     21     -17.5115      1.00000
     22     -17.0553      1.00000
     23     -17.0375      1.00000
     24     -16.8900      1.00000
     25     -15.9282      1.00000
     26     -15.8681      1.00000
     27     -15.5154      1.00000
     28     -15.5144      1.00000
     29     -15.2292      1.00000
     30     -14.7935      1.00000
     31     -14.7661      1.00000
     32     -14.5145      1.00000
     33     -14.4705      1.00000
     34     -14.1018      1.00000
     35     -14.0908      1.00000
     36     -13.0748      1.00000
     37     -13.0318      1.00000
     38     -12.9661      1.00000
     39     -12.9540      1.00000
     40     -12.6444      1.00000
     41     -12.6379      1.00000
     42     -12.2735      1.00000
     43     -12.2422      1.00000
     44     -11.5881      1.00000
     45     -11.5608      1.00000
     46     -11.5066      1.00000
     47     -10.9048      1.00000
     48     -10.8508      1.00000
     49     -10.6216      1.00000
     50     -10.5582      1.00000
     51     -10.4845      1.00000
     52     -10.4331      1.00000
     53     -10.4233      1.00000
     54     -10.3696      1.00000
     55     -10.2925      1.00000
     56     -10.0652      1.00000
     57      -9.8328      1.00000
     58      -9.5471      1.00000
     59      -9.4871      1.00000
     60      -9.4719      1.00000
     61      -9.3460      1.00000
     62      -9.3300      1.00000
     63      -9.3089      1.00000
     64      -9.3074      1.00000
     65      -9.2140      1.00000
     66      -9.1123      1.00000
     67      -9.0810      1.00000
     68      -9.0499      1.00000
     69      -8.8486      1.00000
     70      -8.7927      1.00000
     71      -8.7737      1.00000
     72      -8.5267      1.00000
     73      -8.4754      1.00000
     74      -8.2228      1.00000
     75      -8.1100      1.00000
     76      -8.0993      1.00000
     77      -7.8075      1.00000
     78      -7.7832      1.00000
     79      -7.7806      1.00000
     80      -7.6731      1.00000
     81      -7.6309      1.00000
     82      -7.6299      1.00000
     83      -7.4002      1.00000
     84      -7.3244      1.00000
     85      -7.1994      1.00000
     86      -6.8391      1.00000
     87      -6.8290      1.00000
     88      -6.6626      1.00000
     89      -6.5381      1.00000
     90      -6.3436      1.00000
     91      -6.3071      1.00000
     92      -6.1838      1.00000
     93      -6.1480      1.00000
     94      -5.9772      1.00000
     95      -5.5723      1.00000
     96      -5.4259      1.00000
     97      -5.2585      1.00000
     98      -5.2521      1.00000
     99      -5.1489      1.00000
    100      -4.6955      1.00000
    101      -4.6646      1.00000
    102      -4.3481      1.00000
    103      -4.3166      1.00000
    104      -3.9650      1.00000
    105      -3.8326      1.00000
    106      -3.3889      1.00000
    107      -2.2203      0.00000
    108      -1.3767      0.00000
    109      -1.2863      0.00000
    110      -1.1729      0.00000
    111      -1.0772      0.00000
    112      -0.8933      0.00000
    113      -0.7674      0.00000
    114      -0.7567      0.00000
    115      -0.2161      0.00000
    116       0.1135      0.00000
    117       0.2634      0.00000
    118       0.3464      0.00000
    119       0.7338      0.00000
    120       0.9036      0.00000
    121       0.9719      0.00000
    122       1.0941      0.00000
    123       1.2085      0.00000
    124       1.5290      0.00000
    125       1.5604      0.00000
    126       1.7153      0.00000
    127       1.8389      0.00000
    128       1.8626      0.00000
    129       1.9677      0.00000
    130       1.9960      0.00000
    131       2.1583      0.00000
    132       2.2667      0.00000
    133       2.4542      0.00000
    134       2.4654      0.00000
    135       2.5052      0.00000
    136       2.6660      0.00000
    137       2.6862      0.00000
    138       2.7313      0.00000
    139       2.7432      0.00000
    140       2.8904      0.00000
    141       3.0216      0.00000
    142       3.0804      0.00000
    143       3.1919      0.00000
    144       3.2512      0.00000
    145       3.2566      0.00000
    146       3.2675      0.00000
    147       3.3583      0.00000
    148       3.4785      0.00000
    149       3.5270      0.00000
    150       3.6964      0.00000
    151       3.7507      0.00000
    152       3.7706      0.00000
    153       3.8328      0.00000
    154       3.8768      0.00000
    155       3.9400      0.00000
    156       3.9830      0.00000
    157       4.0235      0.00000
    158       4.0470      0.00000
    159       4.0530      0.00000
    160       4.1011      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1414      1.00000
      2     -22.0462      1.00000
      3     -21.8860      1.00000
      4     -21.3341      1.00000
      5     -20.9812      1.00000
      6     -20.9426      1.00000
      7     -20.4329      1.00000
      8     -20.3901      1.00000
      9     -20.2260      1.00000
     10     -20.2045      1.00000
     11     -19.8885      1.00000
     12     -19.8209      1.00000
     13     -18.8143      1.00000
     14     -18.7432      1.00000
     15     -18.2895      1.00000
     16     -18.2359      1.00000
     17     -18.0854      1.00000
     18     -18.0651      1.00000
     19     -17.7611      1.00000
     20     -17.7186      1.00000
     21     -17.1886      1.00000
     22     -17.1690      1.00000
     23     -17.0995      1.00000
     24     -17.0633      1.00000
     25     -16.0367      1.00000
     26     -15.8233      1.00000
     27     -15.7988      1.00000
     28     -15.7640      1.00000
     29     -15.1737      1.00000
     30     -14.4910      1.00000
     31     -14.4579      1.00000
     32     -14.2179      1.00000
     33     -13.8944      1.00000
     34     -13.8893      1.00000
     35     -13.7556      1.00000
     36     -13.7348      1.00000
     37     -13.5515      1.00000
     38     -13.5028      1.00000
     39     -13.2993      1.00000
     40     -12.5634      1.00000
     41     -12.1252      1.00000
     42     -12.0657      1.00000
     43     -12.0099      1.00000
     44     -11.9513      1.00000
     45     -11.6103      1.00000
     46     -11.5873      1.00000
     47     -11.0853      1.00000
     48     -11.0514      1.00000
     49     -10.7535      1.00000
     50     -10.6638      1.00000
     51     -10.5271      1.00000
     52     -10.1479      1.00000
     53     -10.1382      1.00000
     54     -10.0955      1.00000
     55      -9.9526      1.00000
     56      -9.9472      1.00000
     57      -9.9166      1.00000
     58      -9.7378      1.00000
     59      -9.7301      1.00000
     60      -9.7009      1.00000
     61      -9.6897      1.00000
     62      -9.4298      1.00000
     63      -9.3629      1.00000
     64      -9.0870      1.00000
     65      -9.0058      1.00000
     66      -8.9742      1.00000
     67      -8.8879      1.00000
     68      -8.8109      1.00000
     69      -8.6582      1.00000
     70      -8.6343      1.00000
     71      -8.5790      1.00000
     72      -8.4782      1.00000
     73      -8.4674      1.00000
     74      -8.3980      1.00000
     75      -8.3938      1.00000
     76      -8.1834      1.00000
     77      -8.1143      1.00000
     78      -7.9768      1.00000
     79      -7.9154      1.00000
     80      -7.8461      1.00000
     81      -7.6179      1.00000
     82      -7.5297      1.00000
     83      -7.4691      1.00000
     84      -7.2561      1.00000
     85      -6.9342      1.00000
     86      -6.8569      1.00000
     87      -6.8103      1.00000
     88      -6.5752      1.00000
     89      -6.4670      1.00000
     90      -6.4204      1.00000
     91      -6.3563      1.00000
     92      -6.0525      1.00000
     93      -5.8780      1.00000
     94      -5.7529      1.00000
     95      -5.7214      1.00000
     96      -5.4773      1.00000
     97      -5.3462      1.00000
     98      -5.1800      1.00000
     99      -5.1560      1.00000
    100      -5.1543      1.00000
    101      -4.7076      1.00000
    102      -4.4401      1.00000
    103      -4.2565      1.00000
    104      -3.9966      1.00000
    105      -3.8314      1.00000
    106      -3.1555      1.00000
    107      -2.4628      0.00000
    108      -1.3780      0.00000
    109      -1.2413      0.00000
    110      -1.1456      0.00000
    111      -1.1144      0.00000
    112      -0.5626      0.00000
    113      -0.4342      0.00000
    114      -0.4292      0.00000
    115      -0.3102      0.00000
    116      -0.1894      0.00000
    117       0.0623      0.00000
    118       0.1178      0.00000
    119       0.5403      0.00000
    120       0.6843      0.00000
    121       0.8707      0.00000
    122       0.9676      0.00000
    123       1.1107      0.00000
    124       1.4950      0.00000
    125       1.6615      0.00000
    126       1.7997      0.00000
    127       1.8748      0.00000
    128       2.0916      0.00000
    129       2.1356      0.00000
    130       2.1950      0.00000
    131       2.2146      0.00000
    132       2.3401      0.00000
    133       2.3607      0.00000
    134       2.4871      0.00000
    135       2.5796      0.00000
    136       2.6677      0.00000
    137       2.8784      0.00000
    138       2.9380      0.00000
    139       2.9654      0.00000
    140       2.9904      0.00000
    141       3.0400      0.00000
    142       3.1491      0.00000
    143       3.1794      0.00000
    144       3.2438      0.00000
    145       3.2894      0.00000
    146       3.3313      0.00000
    147       3.3489      0.00000
    148       3.3791      0.00000
    149       3.4068      0.00000
    150       3.4945      0.00000
    151       3.5494      0.00000
    152       3.6293      0.00000
    153       3.6921      0.00000
    154       3.7076      0.00000
    155       3.7219      0.00000
    156       3.9189      0.00000
    157       3.9341      0.00000
    158       4.0568      0.00000
    159       4.0870      0.00000
    160       4.1982      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2472      1.00000
      2     -21.8946      1.00000
      3     -21.8209      1.00000
      4     -21.3157      1.00000
      5     -21.2768      1.00000
      6     -20.7709      1.00000
      7     -20.7020      1.00000
      8     -20.5540      1.00000
      9     -20.0223      1.00000
     10     -19.9898      1.00000
     11     -19.6498      1.00000
     12     -19.6186      1.00000
     13     -18.9429      1.00000
     14     -18.9080      1.00000
     15     -18.5836      1.00000
     16     -18.5460      1.00000
     17     -18.3915      1.00000
     18     -17.6016      1.00000
     19     -17.5699      1.00000
     20     -17.5406      1.00000
     21     -17.5078      1.00000
     22     -17.0740      1.00000
     23     -17.0269      1.00000
     24     -16.8999      1.00000
     25     -15.9454      1.00000
     26     -15.8499      1.00000
     27     -15.5331      1.00000
     28     -15.5060      1.00000
     29     -15.2081      1.00000
     30     -14.8137      1.00000
     31     -14.7609      1.00000
     32     -14.5093      1.00000
     33     -14.4671      1.00000
     34     -14.0954      1.00000
     35     -14.0922      1.00000
     36     -13.1048      1.00000
     37     -13.0293      1.00000
     38     -12.9567      1.00000
     39     -12.9486      1.00000
     40     -12.6556      1.00000
     41     -12.6269      1.00000
     42     -12.2737      1.00000
     43     -12.2464      1.00000
     44     -11.5725      1.00000
     45     -11.5526      1.00000
     46     -11.4996      1.00000
     47     -10.8780      1.00000
     48     -10.8679      1.00000
     49     -10.6832      1.00000
     50     -10.5252      1.00000
     51     -10.5201      1.00000
     52     -10.4326      1.00000
     53     -10.4155      1.00000
     54     -10.3700      1.00000
     55     -10.2877      1.00000
     56     -10.0608      1.00000
     57      -9.8315      1.00000
     58      -9.5590      1.00000
     59      -9.4845      1.00000
     60      -9.4450      1.00000
     61      -9.3546      1.00000
     62      -9.3389      1.00000
     63      -9.3073      1.00000
     64      -9.3024      1.00000
     65      -9.2056      1.00000
     66      -9.0987      1.00000
     67      -9.0674      1.00000
     68      -9.0482      1.00000
     69      -8.8517      1.00000
     70      -8.7956      1.00000
     71      -8.7778      1.00000
     72      -8.5266      1.00000
     73      -8.4972      1.00000
     74      -8.2278      1.00000
     75      -8.1287      1.00000
     76      -8.0924      1.00000
     77      -7.8069      1.00000
     78      -7.7671      1.00000
     79      -7.7389      1.00000
     80      -7.7030      1.00000
     81      -7.6356      1.00000
     82      -7.6240      1.00000
     83      -7.3876      1.00000
     84      -7.3440      1.00000
     85      -7.2190      1.00000
     86      -6.8436      1.00000
     87      -6.8195      1.00000
     88      -6.6401      1.00000
     89      -6.5292      1.00000
     90      -6.3413      1.00000
     91      -6.2728      1.00000
     92      -6.1953      1.00000
     93      -6.1310      1.00000
     94      -6.0212      1.00000
     95      -5.6381      1.00000
     96      -5.5085      1.00000
     97      -5.2974      1.00000
     98      -5.1557      1.00000
     99      -5.0402      1.00000
    100      -4.7268      1.00000
    101      -4.6852      1.00000
    102      -4.3673      1.00000
    103      -4.1860      1.00000
    104      -4.0098      1.00000
    105      -3.8309      1.00000
    106      -3.4837      1.00000
    107      -2.1638      0.00000
    108      -1.3826      0.00000
    109      -1.2356      0.00000
    110      -1.1841      0.00000
    111      -1.0135      0.00000
    112      -0.9560      0.00000
    113      -0.7973      0.00000
    114      -0.7519      0.00000
    115      -0.3639      0.00000
    116       0.2454      0.00000
    117       0.2771      0.00000
    118       0.3650      0.00000
    119       0.6997      0.00000
    120       0.8688      0.00000
    121       0.9660      0.00000
    122       1.1263      0.00000
    123       1.2353      0.00000
    124       1.4558      0.00000
    125       1.5536      0.00000
    126       1.7818      0.00000
    127       1.8509      0.00000
    128       1.8827      0.00000
    129       1.9837      0.00000
    130       2.0296      0.00000
    131       2.1966      0.00000
    132       2.2105      0.00000
    133       2.4010      0.00000
    134       2.4499      0.00000
    135       2.5525      0.00000
    136       2.6585      0.00000
    137       2.6850      0.00000
    138       2.7272      0.00000
    139       2.7668      0.00000
    140       2.8533      0.00000
    141       2.9646      0.00000
    142       3.0797      0.00000
    143       3.1889      0.00000
    144       3.2385      0.00000
    145       3.2534      0.00000
    146       3.2926      0.00000
    147       3.3292      0.00000
    148       3.4794      0.00000
    149       3.5072      0.00000
    150       3.7091      0.00000
    151       3.7200      0.00000
    152       3.7702      0.00000
    153       3.8597      0.00000
    154       3.8737      0.00000
    155       3.8972      0.00000
    156       3.9965      0.00000
    157       3.9978      0.00000
    158       4.0489      0.00000
    159       4.0638      0.00000
    160       4.1066      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3192      1.00000
      2     -21.7611      1.00000
      3     -21.5673      1.00000
      4     -21.5400      1.00000
      5     -21.2045      1.00000
      6     -21.1655      1.00000
      7     -20.9852      1.00000
      8     -20.0982      1.00000
      9     -20.0593      1.00000
     10     -19.5458      1.00000
     11     -19.5256      1.00000
     12     -19.3443      1.00000
     13     -19.0276      1.00000
     14     -18.9876      1.00000
     15     -18.9770      1.00000
     16     -18.9713      1.00000
     17     -18.2955      1.00000
     18     -18.2820      1.00000
     19     -17.9456      1.00000
     20     -16.9999      1.00000
     21     -16.9588      1.00000
     22     -16.8823      1.00000
     23     -16.8694      1.00000
     24     -16.4160      1.00000
     25     -16.3931      1.00000
     26     -15.5398      1.00000
     27     -15.5364      1.00000
     28     -15.1717      1.00000
     29     -15.1701      1.00000
     30     -15.1313      1.00000
     31     -15.0367      1.00000
     32     -15.0014      1.00000
     33     -14.6326      1.00000
     34     -14.6256      1.00000
     35     -13.6621      1.00000
     36     -13.6521      1.00000
     37     -13.1712      1.00000
     38     -12.5733      1.00000
     39     -12.5134      1.00000
     40     -12.3856      1.00000
     41     -12.3851      1.00000
     42     -12.0343      1.00000
     43     -12.0301      1.00000
     44     -11.6539      1.00000
     45     -11.6134      1.00000
     46     -11.2066      1.00000
     47     -11.1570      1.00000
     48     -10.9552      1.00000
     49     -10.9421      1.00000
     50     -10.8595      1.00000
     51     -10.8270      1.00000
     52     -10.6257      1.00000
     53     -10.1473      1.00000
     54     -10.0845      1.00000
     55     -10.0253      1.00000
     56      -9.9464      1.00000
     57      -9.6305      1.00000
     58      -9.6290      1.00000
     59      -9.6028      1.00000
     60      -9.5405      1.00000
     61      -9.5023      1.00000
     62      -9.4782      1.00000
     63      -9.2730      1.00000
     64      -9.2352      1.00000
     65      -9.2069      1.00000
     66      -9.1785      1.00000
     67      -9.0619      1.00000
     68      -9.0469      1.00000
     69      -9.0432      1.00000
     70      -8.8766      1.00000
     71      -8.8075      1.00000
     72      -8.5363      1.00000
     73      -8.5322      1.00000
     74      -8.5015      1.00000
     75      -8.0316      1.00000
     76      -7.8317      1.00000
     77      -7.8005      1.00000
     78      -7.7732      1.00000
     79      -7.7028      1.00000
     80      -7.6843      1.00000
     81      -7.4134      1.00000
     82      -7.2875      1.00000
     83      -7.2515      1.00000
     84      -7.2031      1.00000
     85      -7.0822      1.00000
     86      -7.0747      1.00000
     87      -6.9369      1.00000
     88      -6.7115      1.00000
     89      -6.6743      1.00000
     90      -6.6287      1.00000
     91      -6.5568      1.00000
     92      -6.0721      1.00000
     93      -6.0317      1.00000
     94      -6.0008      1.00000
     95      -5.9362      1.00000
     96      -5.8007      1.00000
     97      -5.1827      1.00000
     98      -4.8956      1.00000
     99      -4.7938      1.00000
    100      -4.6104      1.00000
    101      -4.5119      1.00000
    102      -4.1404      1.00000
    103      -4.0918      1.00000
    104      -3.9307      1.00000
    105      -3.9166      1.00000
    106      -3.8299      1.00000
    107      -1.7512      0.00000
    108      -1.6952      0.00000
    109      -1.4097      0.00000
    110      -1.3709      0.00000
    111      -1.2640      0.00000
    112      -1.2362      0.00000
    113      -0.6221      0.00000
    114      -0.5985      0.00000
    115      -0.1899      0.00000
    116       0.0437      0.00000
    117       0.5836      0.00000
    118       0.7406      0.00000
    119       0.8505      0.00000
    120       0.9284      0.00000
    121       1.1675      0.00000
    122       1.2105      0.00000
    123       1.2468      0.00000
    124       1.4183      0.00000
    125       1.5984      0.00000
    126       1.6377      0.00000
    127       1.7039      0.00000
    128       1.8039      0.00000
    129       1.9228      0.00000
    130       1.9405      0.00000
    131       2.1483      0.00000
    132       2.1717      0.00000
    133       2.2602      0.00000
    134       2.2985      0.00000
    135       2.5414      0.00000
    136       2.5572      0.00000
    137       2.6323      0.00000
    138       2.7601      0.00000
    139       2.8060      0.00000
    140       2.8452      0.00000
    141       2.8935      0.00000
    142       2.9420      0.00000
    143       3.0131      0.00000
    144       3.0262      0.00000
    145       3.0834      0.00000
    146       3.3085      0.00000
    147       3.3687      0.00000
    148       3.4153      0.00000
    149       3.4775      0.00000
    150       3.5988      0.00000
    151       3.6565      0.00000
    152       3.6623      0.00000
    153       3.6784      0.00000
    154       3.8905      0.00000
    155       3.9746      0.00000
    156       4.0238      0.00000
    157       4.0708      0.00000
    158       4.2336      0.00000
    159       4.2548      0.00000
    160       4.2645      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1405      1.00000
      2     -22.0476      1.00000
      3     -21.8855      1.00000
      4     -21.3350      1.00000
      5     -20.9763      1.00000
      6     -20.9467      1.00000
      7     -20.4276      1.00000
      8     -20.3955      1.00000
      9     -20.2155      1.00000
     10     -20.2137      1.00000
     11     -19.8873      1.00000
     12     -19.8235      1.00000
     13     -18.8172      1.00000
     14     -18.7464      1.00000
     15     -18.2654      1.00000
     16     -18.2512      1.00000
     17     -18.0798      1.00000
     18     -18.0733      1.00000
     19     -17.7455      1.00000
     20     -17.7296      1.00000
     21     -17.1948      1.00000
     22     -17.1714      1.00000
     23     -17.0876      1.00000
     24     -17.0676      1.00000
     25     -16.0549      1.00000
     26     -15.8074      1.00000
     27     -15.7979      1.00000
     28     -15.7778      1.00000
     29     -15.1580      1.00000
     30     -14.4850      1.00000
     31     -14.4635      1.00000
     32     -14.2030      1.00000
     33     -13.9168      1.00000
     34     -13.8870      1.00000
     35     -13.7592      1.00000
     36     -13.7391      1.00000
     37     -13.5355      1.00000
     38     -13.5095      1.00000
     39     -13.3012      1.00000
     40     -12.5770      1.00000
     41     -12.1005      1.00000
     42     -12.0763      1.00000
     43     -11.9975      1.00000
     44     -11.9499      1.00000
     45     -11.6061      1.00000
     46     -11.5983      1.00000
     47     -11.0842      1.00000
     48     -11.0607      1.00000
     49     -10.7313      1.00000
     50     -10.6635      1.00000
     51     -10.5605      1.00000
     52     -10.1397      1.00000
     53     -10.1350      1.00000
     54     -10.1004      1.00000
     55      -9.9662      1.00000
     56      -9.9254      1.00000
     57      -9.9210      1.00000
     58      -9.7511      1.00000
     59      -9.7290      1.00000
     60      -9.6974      1.00000
     61      -9.6947      1.00000
     62      -9.4012      1.00000
     63      -9.3882      1.00000
     64      -9.0691      1.00000
     65      -8.9825      1.00000
     66      -8.9815      1.00000
     67      -8.9052      1.00000
     68      -8.8115      1.00000
     69      -8.6495      1.00000
     70      -8.6337      1.00000
     71      -8.5488      1.00000
     72      -8.5012      1.00000
     73      -8.4816      1.00000
     74      -8.3938      1.00000
     75      -8.3817      1.00000
     76      -8.2098      1.00000
     77      -8.1021      1.00000
     78      -8.0070      1.00000
     79      -7.9019      1.00000
     80      -7.8438      1.00000
     81      -7.6214      1.00000
     82      -7.5323      1.00000
     83      -7.4562      1.00000
     84      -7.2529      1.00000
     85      -6.9435      1.00000
     86      -6.8694      1.00000
     87      -6.8102      1.00000
     88      -6.4777      1.00000
     89      -6.4680      1.00000
     90      -6.4082      1.00000
     91      -6.3597      1.00000
     92      -6.1926      1.00000
     93      -5.8578      1.00000
     94      -5.7373      1.00000
     95      -5.7110      1.00000
     96      -5.5244      1.00000
     97      -5.3289      1.00000
     98      -5.1719      1.00000
     99      -5.1673      1.00000
    100      -5.1338      1.00000
    101      -4.6958      1.00000
    102      -4.3475      1.00000
    103      -4.2820      1.00000
    104      -4.0301      1.00000
    105      -3.8324      1.00000
    106      -3.2329      1.00000
    107      -2.4044      0.00000
    108      -1.3444      0.00000
    109      -1.2440      0.00000
    110      -1.1527      0.00000
    111      -1.1079      0.00000
    112      -0.5815      0.00000
    113      -0.5214      0.00000
    114      -0.4339      0.00000
    115      -0.2747      0.00000
    116      -0.0695      0.00000
    117      -0.0103      0.00000
    118       0.0597      0.00000
    119       0.5834      0.00000
    120       0.7112      0.00000
    121       0.8091      0.00000
    122       0.9439      0.00000
    123       1.1828      0.00000
    124       1.5081      0.00000
    125       1.6205      0.00000
    126       1.8569      0.00000
    127       2.0023      0.00000
    128       2.0498      0.00000
    129       2.1105      0.00000
    130       2.1501      0.00000
    131       2.2611      0.00000
    132       2.2860      0.00000
    133       2.3480      0.00000
    134       2.4610      0.00000
    135       2.6101      0.00000
    136       2.6995      0.00000
    137       2.8168      0.00000
    138       2.9147      0.00000
    139       2.9421      0.00000
    140       3.0138      0.00000
    141       3.0461      0.00000
    142       3.1556      0.00000
    143       3.1622      0.00000
    144       3.2224      0.00000
    145       3.2980      0.00000
    146       3.3098      0.00000
    147       3.3528      0.00000
    148       3.3723      0.00000
    149       3.4154      0.00000
    150       3.4424      0.00000
    151       3.5571      0.00000
    152       3.6106      0.00000
    153       3.6991      0.00000
    154       3.7220      0.00000
    155       3.8459      0.00000
    156       3.9037      0.00000
    157       3.9305      0.00000
    158       3.9589      0.00000
    159       4.1436      0.00000
    160       4.1791      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2132      1.00000
      2     -22.0080      1.00000
      3     -21.6460      1.00000
      4     -21.6146      1.00000
      5     -20.9096      1.00000
      6     -20.8687      1.00000
      7     -20.5389      1.00000
      8     -20.5063      1.00000
      9     -20.4994      1.00000
     10     -19.9621      1.00000
     11     -19.4405      1.00000
     12     -19.4186      1.00000
     13     -19.2397      1.00000
     14     -19.2325      1.00000
     15     -18.3759      1.00000
     16     -18.3407      1.00000
     17     -17.8587      1.00000
     18     -17.8425      1.00000
     19     -17.6910      1.00000
     20     -17.6550      1.00000
     21     -17.3722      1.00000
     22     -17.3578      1.00000
     23     -17.2664      1.00000
     24     -16.4135      1.00000
     25     -16.3898      1.00000
     26     -15.9056      1.00000
     27     -15.3429      1.00000
     28     -15.3378      1.00000
     29     -15.0305      1.00000
     30     -15.0207      1.00000
     31     -14.7753      1.00000
     32     -14.7731      1.00000
     33     -14.2381      1.00000
     34     -14.1874      1.00000
     35     -13.3881      1.00000
     36     -13.3337      1.00000
     37     -13.1106      1.00000
     38     -13.1023      1.00000
     39     -12.9182      1.00000
     40     -12.9124      1.00000
     41     -12.5448      1.00000
     42     -12.5368      1.00000
     43     -12.1339      1.00000
     44     -11.5129      1.00000
     45     -11.4683      1.00000
     46     -11.2438      1.00000
     47     -11.2121      1.00000
     48     -11.0870      1.00000
     49     -10.7071      1.00000
     50     -10.5954      1.00000
     51     -10.5093      1.00000
     52     -10.2515      1.00000
     53     -10.2473      1.00000
     54     -10.1220      1.00000
     55     -10.0539      1.00000
     56     -10.0383      1.00000
     57      -9.7852      1.00000
     58      -9.6872      1.00000
     59      -9.6734      1.00000
     60      -9.6377      1.00000
     61      -9.6280      1.00000
     62      -9.5854      1.00000
     63      -9.2959      1.00000
     64      -9.2836      1.00000
     65      -9.2521      1.00000
     66      -9.0661      1.00000
     67      -8.8947      1.00000
     68      -8.8834      1.00000
     69      -8.7182      1.00000
     70      -8.5822      1.00000
     71      -8.5251      1.00000
     72      -8.3509      1.00000
     73      -8.3047      1.00000
     74      -8.2430      1.00000
     75      -8.2378      1.00000
     76      -8.1938      1.00000
     77      -8.1803      1.00000
     78      -8.1687      1.00000
     79      -8.1088      1.00000
     80      -7.6898      1.00000
     81      -7.4187      1.00000
     82      -7.3441      1.00000
     83      -7.2583      1.00000
     84      -7.1693      1.00000
     85      -7.1103      1.00000
     86      -7.0038      1.00000
     87      -6.9038      1.00000
     88      -6.8472      1.00000
     89      -6.5408      1.00000
     90      -6.4992      1.00000
     91      -6.2147      1.00000
     92      -6.2005      1.00000
     93      -5.8943      1.00000
     94      -5.6739      1.00000
     95      -5.6086      1.00000
     96      -5.5802      1.00000
     97      -5.2530      1.00000
     98      -5.2310      1.00000
     99      -5.1647      1.00000
    100      -5.1343      1.00000
    101      -4.5992      1.00000
    102      -4.2517      1.00000
    103      -4.0465      1.00000
    104      -3.8843      1.00000
    105      -3.8443      1.00000
    106      -3.8006      1.00000
    107      -1.8073      0.00000
    108      -1.7798      0.00000
    109      -1.2243      0.00000
    110      -1.1758      0.00000
    111      -0.9735      0.00000
    112      -0.7337      0.00000
    113      -0.6500      0.00000
    114      -0.5935      0.00000
    115      -0.5498      0.00000
    116      -0.1503      0.00000
    117       0.1764      0.00000
    118       0.2879      0.00000
    119       0.7047      0.00000
    120       0.9488      0.00000
    121       1.1687      0.00000
    122       1.2785      0.00000
    123       1.3462      0.00000
    124       1.5111      0.00000
    125       1.6075      0.00000
    126       1.6270      0.00000
    127       1.6922      0.00000
    128       1.7732      0.00000
    129       1.8597      0.00000
    130       2.0774      0.00000
    131       2.1627      0.00000
    132       2.3171      0.00000
    133       2.3905      0.00000
    134       2.4218      0.00000
    135       2.5543      0.00000
    136       2.6238      0.00000
    137       2.6851      0.00000
    138       2.7451      0.00000
    139       2.8133      0.00000
    140       2.9073      0.00000
    141       3.0512      0.00000
    142       3.0607      0.00000
    143       3.1802      0.00000
    144       3.2784      0.00000
    145       3.3772      0.00000
    146       3.4110      0.00000
    147       3.4575      0.00000
    148       3.5473      0.00000
    149       3.5708      0.00000
    150       3.6317      0.00000
    151       3.6623      0.00000
    152       3.7013      0.00000
    153       3.7824      0.00000
    154       3.7961      0.00000
    155       3.8223      0.00000
    156       3.8918      0.00000
    157       3.9032      0.00000
    158       3.9749      0.00000
    159       4.1870      0.00000
    160       4.2300      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3558      1.00000
      2     -21.5363      1.00000
      3     -21.4064      1.00000
      4     -21.4054      1.00000
      5     -21.3743      1.00000
      6     -21.3651      1.00000
      7     -21.3578      1.00000
      8     -19.6458      1.00000
      9     -19.5716      1.00000
     10     -19.5645      1.00000
     11     -19.5581      1.00000
     12     -19.5396      1.00000
     13     -19.5367      1.00000
     14     -18.7278      1.00000
     15     -18.6792      1.00000
     16     -18.6716      1.00000
     17     -18.6580      1.00000
     18     -18.6425      1.00000
     19     -18.6408      1.00000
     20     -16.5861      1.00000
     21     -16.5255      1.00000
     22     -16.5235      1.00000
     23     -16.5109      1.00000
     24     -16.4861      1.00000
     25     -16.4848      1.00000
     26     -15.5594      1.00000
     27     -15.5251      1.00000
     28     -15.5241      1.00000
     29     -15.4986      1.00000
     30     -15.4955      1.00000
     31     -15.4876      1.00000
     32     -14.2062      1.00000
     33     -14.1799      1.00000
     34     -14.1664      1.00000
     35     -14.1643      1.00000
     36     -14.1597      1.00000
     37     -14.1481      1.00000
     38     -11.8845      1.00000
     39     -11.8077      1.00000
     40     -11.7921      1.00000
     41     -11.7907      1.00000
     42     -11.7886      1.00000
     43     -11.7820      1.00000
     44     -11.7040      1.00000
     45     -11.6978      1.00000
     46     -11.6726      1.00000
     47     -11.6570      1.00000
     48     -11.6567      1.00000
     49     -11.6504      1.00000
     50     -10.6748      1.00000
     51     -10.3291      1.00000
     52     -10.3204      1.00000
     53     -10.3047      1.00000
     54     -10.3044      1.00000
     55     -10.2899      1.00000
     56     -10.2770      1.00000
     57      -9.9286      1.00000
     58      -9.3726      1.00000
     59      -9.3589      1.00000
     60      -9.2998      1.00000
     61      -9.2915      1.00000
     62      -9.2847      1.00000
     63      -9.0922      1.00000
     64      -9.0532      1.00000
     65      -9.0490      1.00000
     66      -9.0261      1.00000
     67      -9.0068      1.00000
     68      -9.0016      1.00000
     69      -9.0004      1.00000
     70      -8.9941      1.00000
     71      -8.9914      1.00000
     72      -8.9725      1.00000
     73      -8.9640      1.00000
     74      -8.9535      1.00000
     75      -8.5008      1.00000
     76      -7.5146      1.00000
     77      -7.4101      1.00000
     78      -7.4098      1.00000
     79      -7.4011      1.00000
     80      -7.3836      1.00000
     81      -7.3638      1.00000
     82      -7.3410      1.00000
     83      -7.3074      1.00000
     84      -7.2687      1.00000
     85      -7.2061      1.00000
     86      -7.1797      1.00000
     87      -7.1794      1.00000
     88      -7.0744      1.00000
     89      -6.5095      1.00000
     90      -6.4611      1.00000
     91      -6.3549      1.00000
     92      -6.2930      1.00000
     93      -6.2872      1.00000
     94      -6.2861      1.00000
     95      -5.8975      1.00000
     96      -5.8836      1.00000
     97      -5.0509      1.00000
     98      -4.9372      1.00000
     99      -4.5397      1.00000
    100      -4.3403      1.00000
    101      -4.3175      1.00000
    102      -4.3168      1.00000
    103      -4.1146      1.00000
    104      -3.9129      1.00000
    105      -3.9013      1.00000
    106      -3.8362      1.00000
    107      -1.6809      0.00000
    108      -1.6680      0.00000
    109      -1.5365      0.00000
    110      -1.5355      0.00000
    111      -1.5217      0.00000
    112      -1.5087      0.00000
    113      -0.5834      0.00000
    114       0.1340      0.00000
    115       0.2060      0.00000
    116       0.3244      0.00000
    117       0.3271      0.00000
    118       0.3344      0.00000
    119       0.4969      0.00000
    120       0.5951      0.00000
    121       1.2589      0.00000
    122       1.2727      0.00000
    123       1.5261      0.00000
    124       1.7931      0.00000
    125       1.8025      0.00000
    126       1.8060      0.00000
    127       1.8104      0.00000
    128       1.9462      0.00000
    129       1.9791      0.00000
    130       2.0323      0.00000
    131       2.0456      0.00000
    132       2.0507      0.00000
    133       2.0548      0.00000
    134       2.0605      0.00000
    135       2.3058      0.00000
    136       2.3239      0.00000
    137       2.6090      0.00000
    138       2.6169      0.00000
    139       2.6440      0.00000
    140       2.7224      0.00000
    141       2.8607      0.00000
    142       3.0234      0.00000
    143       3.0528      0.00000
    144       3.0809      0.00000
    145       3.0947      0.00000
    146       3.0951      0.00000
    147       3.0991      0.00000
    148       3.2302      0.00000
    149       3.4469      0.00000
    150       3.5373      0.00000
    151       3.7861      0.00000
    152       3.9411      0.00000
    153       3.9424      0.00000
    154       3.9540      0.00000
    155       3.9567      0.00000
    156       3.9967      0.00000
    157       4.1775      0.00000
    158       4.2653      0.00000
    159       4.2862      0.00000
    160       4.2865      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3192      1.00000
      2     -21.7607      1.00000
      3     -21.5700      1.00000
      4     -21.5371      1.00000
      5     -21.2072      1.00000
      6     -21.1622      1.00000
      7     -20.9865      1.00000
      8     -20.1011      1.00000
      9     -20.0569      1.00000
     10     -19.5458      1.00000
     11     -19.5210      1.00000
     12     -19.3485      1.00000
     13     -19.0242      1.00000
     14     -18.9889      1.00000
     15     -18.9808      1.00000
     16     -18.9685      1.00000
     17     -18.2969      1.00000
     18     -18.2774      1.00000
     19     -17.9515      1.00000
     20     -17.0094      1.00000
     21     -16.9591      1.00000
     22     -16.8783      1.00000
     23     -16.8677      1.00000
     24     -16.4044      1.00000
     25     -16.3891      1.00000
     26     -15.5524      1.00000
     27     -15.5347      1.00000
     28     -15.1979      1.00000
     29     -15.1685      1.00000
     30     -15.1138      1.00000
     31     -15.0267      1.00000
     32     -15.0019      1.00000
     33     -14.6360      1.00000
     34     -14.6239      1.00000
     35     -13.6671      1.00000
     36     -13.6515      1.00000
     37     -13.1689      1.00000
     38     -12.5506      1.00000
     39     -12.5167      1.00000
     40     -12.3904      1.00000
     41     -12.3771      1.00000
     42     -12.0573      1.00000
     43     -12.0342      1.00000
     44     -11.6592      1.00000
     45     -11.6167      1.00000
     46     -11.1810      1.00000
     47     -11.1556      1.00000
     48     -10.9649      1.00000
     49     -10.9399      1.00000
     50     -10.8739      1.00000
     51     -10.8366      1.00000
     52     -10.6029      1.00000
     53     -10.0934      1.00000
     54     -10.0877      1.00000
     55     -10.0464      1.00000
     56      -9.9702      1.00000
     57      -9.6545      1.00000
     58      -9.6283      1.00000
     59      -9.5918      1.00000
     60      -9.5290      1.00000
     61      -9.5110      1.00000
     62      -9.4783      1.00000
     63      -9.2644      1.00000
     64      -9.2405      1.00000
     65      -9.2205      1.00000
     66      -9.1659      1.00000
     67      -9.0680      1.00000
     68      -9.0460      1.00000
     69      -9.0404      1.00000
     70      -8.8824      1.00000
     71      -8.8060      1.00000
     72      -8.5788      1.00000
     73      -8.5220      1.00000
     74      -8.4613      1.00000
     75      -8.0345      1.00000
     76      -7.8117      1.00000
     77      -7.8068      1.00000
     78      -7.7924      1.00000
     79      -7.6995      1.00000
     80      -7.6902      1.00000
     81      -7.3636      1.00000
     82      -7.2732      1.00000
     83      -7.2639      1.00000
     84      -7.2155      1.00000
     85      -7.1723      1.00000
     86      -7.0082      1.00000
     87      -6.9472      1.00000
     88      -6.7471      1.00000
     89      -6.6720      1.00000
     90      -6.5937      1.00000
     91      -6.5589      1.00000
     92      -6.0501      1.00000
     93      -6.0472      1.00000
     94      -6.0217      1.00000
     95      -5.9584      1.00000
     96      -5.7362      1.00000
     97      -5.1580      1.00000
     98      -4.9901      1.00000
     99      -4.7188      1.00000
    100      -4.6106      1.00000
    101      -4.4401      1.00000
    102      -4.3735      1.00000
    103      -4.1221      1.00000
    104      -3.8681      1.00000
    105      -3.8360      1.00000
    106      -3.7905      1.00000
    107      -1.7852      0.00000
    108      -1.7381      0.00000
    109      -1.3939      0.00000
    110      -1.3463      0.00000
    111      -1.2636      0.00000
    112      -1.2256      0.00000
    113      -0.7440      0.00000
    114      -0.3783      0.00000
    115      -0.2203      0.00000
    116      -0.0172      0.00000
    117       0.5901      0.00000
    118       0.7362      0.00000
    119       0.7640      0.00000
    120       1.0498      0.00000
    121       1.1417      0.00000
    122       1.2508      0.00000
    123       1.2715      0.00000
    124       1.4134      0.00000
    125       1.4784      0.00000
    126       1.5849      0.00000
    127       1.7558      0.00000
    128       1.8393      0.00000
    129       1.8958      0.00000
    130       1.9591      0.00000
    131       2.1063      0.00000
    132       2.2337      0.00000
    133       2.2482      0.00000
    134       2.2939      0.00000
    135       2.4867      0.00000
    136       2.6123      0.00000
    137       2.6356      0.00000
    138       2.7652      0.00000
    139       2.7953      0.00000
    140       2.8550      0.00000
    141       2.8657      0.00000
    142       2.8920      0.00000
    143       2.9564      0.00000
    144       3.0796      0.00000
    145       3.2792      0.00000
    146       3.3020      0.00000
    147       3.3727      0.00000
    148       3.4058      0.00000
    149       3.4645      0.00000
    150       3.5840      0.00000
    151       3.6349      0.00000
    152       3.6687      0.00000
    153       3.7054      0.00000
    154       3.9032      0.00000
    155       3.9382      0.00000
    156       3.9804      0.00000
    157       4.0805      0.00000
    158       4.2004      0.00000
    159       4.2418      0.00000
    160       4.2950      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2136      1.00000
      2     -22.0073      1.00000
      3     -21.6487      1.00000
      4     -21.6115      1.00000
      5     -20.9125      1.00000
      6     -20.8660      1.00000
      7     -20.5452      1.00000
      8     -20.5056      1.00000
      9     -20.4953      1.00000
     10     -19.9630      1.00000
     11     -19.4420      1.00000
     12     -19.4147      1.00000
     13     -19.2411      1.00000
     14     -19.2266      1.00000
     15     -18.3837      1.00000
     16     -18.3393      1.00000
     17     -17.8596      1.00000
     18     -17.8383      1.00000
     19     -17.6975      1.00000
     20     -17.6548      1.00000
     21     -17.3717      1.00000
     22     -17.3553      1.00000
     23     -17.2741      1.00000
     24     -16.4007      1.00000
     25     -16.3858      1.00000
     26     -15.8954      1.00000
     27     -15.3528      1.00000
     28     -15.3363      1.00000
     29     -15.0348      1.00000
     30     -15.0202      1.00000
     31     -14.7997      1.00000
     32     -14.7747      1.00000
     33     -14.2211      1.00000
     34     -14.1890      1.00000
     35     -13.3704      1.00000
     36     -13.3364      1.00000
     37     -13.1197      1.00000
     38     -13.1021      1.00000
     39     -12.9155      1.00000
     40     -12.9019      1.00000
     41     -12.5566      1.00000
     42     -12.5385      1.00000
     43     -12.1325      1.00000
     44     -11.5221      1.00000
     45     -11.4736      1.00000
     46     -11.2539      1.00000
     47     -11.2195      1.00000
     48     -11.0790      1.00000
     49     -10.6603      1.00000
     50     -10.5879      1.00000
     51     -10.5239      1.00000
     52     -10.2568      1.00000
     53     -10.2487      1.00000
     54     -10.1228      1.00000
     55     -10.0482      1.00000
     56     -10.0408      1.00000
     57      -9.7701      1.00000
     58      -9.7044      1.00000
     59      -9.6797      1.00000
     60      -9.6302      1.00000
     61      -9.6252      1.00000
     62      -9.5874      1.00000
     63      -9.2942      1.00000
     64      -9.2847      1.00000
     65      -9.2532      1.00000
     66      -9.0892      1.00000
     67      -8.8961      1.00000
     68      -8.8833      1.00000
     69      -8.7245      1.00000
     70      -8.5896      1.00000
     71      -8.5140      1.00000
     72      -8.3305      1.00000
     73      -8.3024      1.00000
     74      -8.2644      1.00000
     75      -8.2323      1.00000
     76      -8.1947      1.00000
     77      -8.1859      1.00000
     78      -8.1706      1.00000
     79      -8.1022      1.00000
     80      -7.6883      1.00000
     81      -7.3564      1.00000
     82      -7.3098      1.00000
     83      -7.2637      1.00000
     84      -7.1872      1.00000
     85      -7.1248      1.00000
     86      -7.0765      1.00000
     87      -6.9068      1.00000
     88      -6.8822      1.00000
     89      -6.5494      1.00000
     90      -6.4919      1.00000
     91      -6.2099      1.00000
     92      -6.0702      1.00000
     93      -5.9421      1.00000
     94      -5.7158      1.00000
     95      -5.6329      1.00000
     96      -5.4525      1.00000
     97      -5.3052      1.00000
     98      -5.2339      1.00000
     99      -5.1519      1.00000
    100      -5.1513      1.00000
    101      -4.5237      1.00000
    102      -4.4700      1.00000
    103      -4.1437      1.00000
    104      -3.8389      1.00000
    105      -3.7572      1.00000
    106      -3.6793      1.00000
    107      -1.8709      0.00000
    108      -1.8237      0.00000
    109      -1.2763      0.00000
    110      -1.0363      0.00000
    111      -1.0113      0.00000
    112      -0.7115      0.00000
    113      -0.6400      0.00000
    114      -0.5879      0.00000
    115      -0.5457      0.00000
    116      -0.2006      0.00000
    117       0.2529      0.00000
    118       0.2790      0.00000
    119       0.7600      0.00000
    120       0.9453      0.00000
    121       1.1319      0.00000
    122       1.2258      0.00000
    123       1.3202      0.00000
    124       1.4122      0.00000
    125       1.6000      0.00000
    126       1.6337      0.00000
    127       1.6993      0.00000
    128       1.8241      0.00000
    129       1.9180      0.00000
    130       2.0099      0.00000
    131       2.1049      0.00000
    132       2.3274      0.00000
    133       2.3958      0.00000
    134       2.4312      0.00000
    135       2.5403      0.00000
    136       2.6336      0.00000
    137       2.7536      0.00000
    138       2.8181      0.00000
    139       2.8316      0.00000
    140       2.8863      0.00000
    141       3.0409      0.00000
    142       3.0884      0.00000
    143       3.1846      0.00000
    144       3.2374      0.00000
    145       3.3839      0.00000
    146       3.4210      0.00000
    147       3.4788      0.00000
    148       3.5730      0.00000
    149       3.5984      0.00000
    150       3.6269      0.00000
    151       3.6503      0.00000
    152       3.7413      0.00000
    153       3.7696      0.00000
    154       3.7846      0.00000
    155       3.8043      0.00000
    156       3.8936      0.00000
    157       3.9743      0.00000
    158       4.0051      0.00000
    159       4.1729      0.00000
    160       4.2364      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2474      1.00000
      2     -21.8931      1.00000
      3     -21.8224      1.00000
      4     -21.3111      1.00000
      5     -21.2808      1.00000
      6     -20.7698      1.00000
      7     -20.7040      1.00000
      8     -20.5555      1.00000
      9     -20.0082      1.00000
     10     -20.0008      1.00000
     11     -19.6473      1.00000
     12     -19.6229      1.00000
     13     -18.9288      1.00000
     14     -18.9204      1.00000
     15     -18.5699      1.00000
     16     -18.5560      1.00000
     17     -18.3932      1.00000
     18     -17.6145      1.00000
     19     -17.5582      1.00000
     20     -17.5530      1.00000
     21     -17.5115      1.00000
     22     -17.0553      1.00000
     23     -17.0375      1.00000
     24     -16.8900      1.00000
     25     -15.9282      1.00000
     26     -15.8681      1.00000
     27     -15.5154      1.00000
     28     -15.5144      1.00000
     29     -15.2292      1.00000
     30     -14.7935      1.00000
     31     -14.7661      1.00000
     32     -14.5145      1.00000
     33     -14.4705      1.00000
     34     -14.1018      1.00000
     35     -14.0908      1.00000
     36     -13.0748      1.00000
     37     -13.0318      1.00000
     38     -12.9661      1.00000
     39     -12.9540      1.00000
     40     -12.6444      1.00000
     41     -12.6379      1.00000
     42     -12.2735      1.00000
     43     -12.2422      1.00000
     44     -11.5881      1.00000
     45     -11.5608      1.00000
     46     -11.5066      1.00000
     47     -10.9048      1.00000
     48     -10.8508      1.00000
     49     -10.6216      1.00000
     50     -10.5582      1.00000
     51     -10.4845      1.00000
     52     -10.4331      1.00000
     53     -10.4233      1.00000
     54     -10.3696      1.00000
     55     -10.2925      1.00000
     56     -10.0652      1.00000
     57      -9.8328      1.00000
     58      -9.5471      1.00000
     59      -9.4871      1.00000
     60      -9.4719      1.00000
     61      -9.3460      1.00000
     62      -9.3300      1.00000
     63      -9.3089      1.00000
     64      -9.3074      1.00000
     65      -9.2140      1.00000
     66      -9.1123      1.00000
     67      -9.0810      1.00000
     68      -9.0499      1.00000
     69      -8.8486      1.00000
     70      -8.7927      1.00000
     71      -8.7737      1.00000
     72      -8.5267      1.00000
     73      -8.4754      1.00000
     74      -8.2228      1.00000
     75      -8.1100      1.00000
     76      -8.0993      1.00000
     77      -7.8075      1.00000
     78      -7.7832      1.00000
     79      -7.7806      1.00000
     80      -7.6731      1.00000
     81      -7.6309      1.00000
     82      -7.6299      1.00000
     83      -7.4002      1.00000
     84      -7.3244      1.00000
     85      -7.1994      1.00000
     86      -6.8391      1.00000
     87      -6.8290      1.00000
     88      -6.6626      1.00000
     89      -6.5381      1.00000
     90      -6.3436      1.00000
     91      -6.3071      1.00000
     92      -6.1838      1.00000
     93      -6.1480      1.00000
     94      -5.9772      1.00000
     95      -5.5723      1.00000
     96      -5.4259      1.00000
     97      -5.2585      1.00000
     98      -5.2521      1.00000
     99      -5.1489      1.00000
    100      -4.6955      1.00000
    101      -4.6646      1.00000
    102      -4.3481      1.00000
    103      -4.3166      1.00000
    104      -3.9650      1.00000
    105      -3.8326      1.00000
    106      -3.3889      1.00000
    107      -2.2203      0.00000
    108      -1.3767      0.00000
    109      -1.2863      0.00000
    110      -1.1729      0.00000
    111      -1.0772      0.00000
    112      -0.8933      0.00000
    113      -0.7674      0.00000
    114      -0.7567      0.00000
    115      -0.2161      0.00000
    116       0.1135      0.00000
    117       0.2634      0.00000
    118       0.3464      0.00000
    119       0.7338      0.00000
    120       0.9036      0.00000
    121       0.9719      0.00000
    122       1.0941      0.00000
    123       1.2085      0.00000
    124       1.5290      0.00000
    125       1.5604      0.00000
    126       1.7152      0.00000
    127       1.8389      0.00000
    128       1.8626      0.00000
    129       1.9677      0.00000
    130       1.9960      0.00000
    131       2.1583      0.00000
    132       2.2667      0.00000
    133       2.4542      0.00000
    134       2.4653      0.00000
    135       2.5052      0.00000
    136       2.6660      0.00000
    137       2.6862      0.00000
    138       2.7313      0.00000
    139       2.7432      0.00000
    140       2.8904      0.00000
    141       3.0216      0.00000
    142       3.0804      0.00000
    143       3.1919      0.00000
    144       3.2512      0.00000
    145       3.2566      0.00000
    146       3.2675      0.00000
    147       3.3583      0.00000
    148       3.4785      0.00000
    149       3.5270      0.00000
    150       3.6964      0.00000
    151       3.7507      0.00000
    152       3.7706      0.00000
    153       3.8328      0.00000
    154       3.8768      0.00000
    155       3.9400      0.00000
    156       3.9830      0.00000
    157       4.0235      0.00000
    158       4.0470      0.00000
    159       4.0530      0.00000
    160       4.1013      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1414      1.00000
      2     -22.0462      1.00000
      3     -21.8860      1.00000
      4     -21.3341      1.00000
      5     -20.9812      1.00000
      6     -20.9426      1.00000
      7     -20.4329      1.00000
      8     -20.3901      1.00000
      9     -20.2260      1.00000
     10     -20.2045      1.00000
     11     -19.8885      1.00000
     12     -19.8209      1.00000
     13     -18.8143      1.00000
     14     -18.7432      1.00000
     15     -18.2895      1.00000
     16     -18.2359      1.00000
     17     -18.0854      1.00000
     18     -18.0651      1.00000
     19     -17.7611      1.00000
     20     -17.7186      1.00000
     21     -17.1886      1.00000
     22     -17.1690      1.00000
     23     -17.0995      1.00000
     24     -17.0633      1.00000
     25     -16.0367      1.00000
     26     -15.8233      1.00000
     27     -15.7988      1.00000
     28     -15.7640      1.00000
     29     -15.1737      1.00000
     30     -14.4910      1.00000
     31     -14.4579      1.00000
     32     -14.2179      1.00000
     33     -13.8944      1.00000
     34     -13.8893      1.00000
     35     -13.7556      1.00000
     36     -13.7348      1.00000
     37     -13.5515      1.00000
     38     -13.5028      1.00000
     39     -13.2993      1.00000
     40     -12.5634      1.00000
     41     -12.1252      1.00000
     42     -12.0657      1.00000
     43     -12.0099      1.00000
     44     -11.9513      1.00000
     45     -11.6103      1.00000
     46     -11.5873      1.00000
     47     -11.0853      1.00000
     48     -11.0514      1.00000
     49     -10.7535      1.00000
     50     -10.6638      1.00000
     51     -10.5271      1.00000
     52     -10.1479      1.00000
     53     -10.1382      1.00000
     54     -10.0955      1.00000
     55      -9.9526      1.00000
     56      -9.9472      1.00000
     57      -9.9166      1.00000
     58      -9.7378      1.00000
     59      -9.7301      1.00000
     60      -9.7009      1.00000
     61      -9.6897      1.00000
     62      -9.4298      1.00000
     63      -9.3629      1.00000
     64      -9.0870      1.00000
     65      -9.0058      1.00000
     66      -8.9742      1.00000
     67      -8.8879      1.00000
     68      -8.8109      1.00000
     69      -8.6582      1.00000
     70      -8.6343      1.00000
     71      -8.5790      1.00000
     72      -8.4782      1.00000
     73      -8.4674      1.00000
     74      -8.3980      1.00000
     75      -8.3938      1.00000
     76      -8.1834      1.00000
     77      -8.1143      1.00000
     78      -7.9768      1.00000
     79      -7.9154      1.00000
     80      -7.8461      1.00000
     81      -7.6179      1.00000
     82      -7.5297      1.00000
     83      -7.4691      1.00000
     84      -7.2561      1.00000
     85      -6.9342      1.00000
     86      -6.8569      1.00000
     87      -6.8103      1.00000
     88      -6.5752      1.00000
     89      -6.4670      1.00000
     90      -6.4204      1.00000
     91      -6.3563      1.00000
     92      -6.0525      1.00000
     93      -5.8780      1.00000
     94      -5.7529      1.00000
     95      -5.7214      1.00000
     96      -5.4773      1.00000
     97      -5.3462      1.00000
     98      -5.1800      1.00000
     99      -5.1560      1.00000
    100      -5.1543      1.00000
    101      -4.7076      1.00000
    102      -4.4401      1.00000
    103      -4.2565      1.00000
    104      -3.9966      1.00000
    105      -3.8314      1.00000
    106      -3.1555      1.00000
    107      -2.4628      0.00000
    108      -1.3780      0.00000
    109      -1.2413      0.00000
    110      -1.1456      0.00000
    111      -1.1144      0.00000
    112      -0.5626      0.00000
    113      -0.4342      0.00000
    114      -0.4292      0.00000
    115      -0.3102      0.00000
    116      -0.1894      0.00000
    117       0.0623      0.00000
    118       0.1178      0.00000
    119       0.5403      0.00000
    120       0.6843      0.00000
    121       0.8707      0.00000
    122       0.9676      0.00000
    123       1.1107      0.00000
    124       1.4950      0.00000
    125       1.6615      0.00000
    126       1.7997      0.00000
    127       1.8748      0.00000
    128       2.0915      0.00000
    129       2.1356      0.00000
    130       2.1950      0.00000
    131       2.2146      0.00000
    132       2.3401      0.00000
    133       2.3606      0.00000
    134       2.4871      0.00000
    135       2.5796      0.00000
    136       2.6677      0.00000
    137       2.8784      0.00000
    138       2.9380      0.00000
    139       2.9654      0.00000
    140       2.9904      0.00000
    141       3.0400      0.00000
    142       3.1491      0.00000
    143       3.1794      0.00000
    144       3.2438      0.00000
    145       3.2894      0.00000
    146       3.3313      0.00000
    147       3.3489      0.00000
    148       3.3791      0.00000
    149       3.4068      0.00000
    150       3.4945      0.00000
    151       3.5494      0.00000
    152       3.6293      0.00000
    153       3.6921      0.00000
    154       3.7076      0.00000
    155       3.7219      0.00000
    156       3.9189      0.00000
    157       3.9341      0.00000
    158       4.0568      0.00000
    159       4.0870      0.00000
    160       4.1982      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2472      1.00000
      2     -21.8946      1.00000
      3     -21.8209      1.00000
      4     -21.3157      1.00000
      5     -21.2768      1.00000
      6     -20.7709      1.00000
      7     -20.7020      1.00000
      8     -20.5540      1.00000
      9     -20.0223      1.00000
     10     -19.9898      1.00000
     11     -19.6498      1.00000
     12     -19.6186      1.00000
     13     -18.9429      1.00000
     14     -18.9080      1.00000
     15     -18.5836      1.00000
     16     -18.5460      1.00000
     17     -18.3915      1.00000
     18     -17.6016      1.00000
     19     -17.5699      1.00000
     20     -17.5406      1.00000
     21     -17.5078      1.00000
     22     -17.0740      1.00000
     23     -17.0269      1.00000
     24     -16.8999      1.00000
     25     -15.9454      1.00000
     26     -15.8499      1.00000
     27     -15.5331      1.00000
     28     -15.5060      1.00000
     29     -15.2081      1.00000
     30     -14.8137      1.00000
     31     -14.7609      1.00000
     32     -14.5093      1.00000
     33     -14.4671      1.00000
     34     -14.0954      1.00000
     35     -14.0922      1.00000
     36     -13.1048      1.00000
     37     -13.0293      1.00000
     38     -12.9567      1.00000
     39     -12.9486      1.00000
     40     -12.6556      1.00000
     41     -12.6269      1.00000
     42     -12.2737      1.00000
     43     -12.2464      1.00000
     44     -11.5725      1.00000
     45     -11.5526      1.00000
     46     -11.4996      1.00000
     47     -10.8780      1.00000
     48     -10.8679      1.00000
     49     -10.6832      1.00000
     50     -10.5252      1.00000
     51     -10.5201      1.00000
     52     -10.4326      1.00000
     53     -10.4155      1.00000
     54     -10.3700      1.00000
     55     -10.2877      1.00000
     56     -10.0608      1.00000
     57      -9.8315      1.00000
     58      -9.5590      1.00000
     59      -9.4845      1.00000
     60      -9.4450      1.00000
     61      -9.3546      1.00000
     62      -9.3389      1.00000
     63      -9.3073      1.00000
     64      -9.3024      1.00000
     65      -9.2056      1.00000
     66      -9.0987      1.00000
     67      -9.0674      1.00000
     68      -9.0482      1.00000
     69      -8.8517      1.00000
     70      -8.7956      1.00000
     71      -8.7778      1.00000
     72      -8.5266      1.00000
     73      -8.4972      1.00000
     74      -8.2278      1.00000
     75      -8.1287      1.00000
     76      -8.0924      1.00000
     77      -7.8069      1.00000
     78      -7.7671      1.00000
     79      -7.7389      1.00000
     80      -7.7030      1.00000
     81      -7.6356      1.00000
     82      -7.6240      1.00000
     83      -7.3876      1.00000
     84      -7.3440      1.00000
     85      -7.2190      1.00000
     86      -6.8436      1.00000
     87      -6.8195      1.00000
     88      -6.6401      1.00000
     89      -6.5292      1.00000
     90      -6.3413      1.00000
     91      -6.2728      1.00000
     92      -6.1953      1.00000
     93      -6.1310      1.00000
     94      -6.0212      1.00000
     95      -5.6381      1.00000
     96      -5.5085      1.00000
     97      -5.2974      1.00000
     98      -5.1557      1.00000
     99      -5.0402      1.00000
    100      -4.7268      1.00000
    101      -4.6852      1.00000
    102      -4.3673      1.00000
    103      -4.1860      1.00000
    104      -4.0098      1.00000
    105      -3.8309      1.00000
    106      -3.4837      1.00000
    107      -2.1638      0.00000
    108      -1.3826      0.00000
    109      -1.2356      0.00000
    110      -1.1841      0.00000
    111      -1.0135      0.00000
    112      -0.9560      0.00000
    113      -0.7973      0.00000
    114      -0.7519      0.00000
    115      -0.3639      0.00000
    116       0.2454      0.00000
    117       0.2771      0.00000
    118       0.3650      0.00000
    119       0.6997      0.00000
    120       0.8688      0.00000
    121       0.9660      0.00000
    122       1.1263      0.00000
    123       1.2353      0.00000
    124       1.4558      0.00000
    125       1.5536      0.00000
    126       1.7818      0.00000
    127       1.8509      0.00000
    128       1.8827      0.00000
    129       1.9837      0.00000
    130       2.0296      0.00000
    131       2.1966      0.00000
    132       2.2105      0.00000
    133       2.4010      0.00000
    134       2.4499      0.00000
    135       2.5525      0.00000
    136       2.6585      0.00000
    137       2.6850      0.00000
    138       2.7272      0.00000
    139       2.7668      0.00000
    140       2.8533      0.00000
    141       2.9646      0.00000
    142       3.0797      0.00000
    143       3.1889      0.00000
    144       3.2384      0.00000
    145       3.2534      0.00000
    146       3.2926      0.00000
    147       3.3292      0.00000
    148       3.4794      0.00000
    149       3.5072      0.00000
    150       3.7091      0.00000
    151       3.7200      0.00000
    152       3.7702      0.00000
    153       3.8597      0.00000
    154       3.8737      0.00000
    155       3.8972      0.00000
    156       3.9965      0.00000
    157       3.9978      0.00000
    158       4.0489      0.00000
    159       4.0638      0.00000
    160       4.1069      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3192      1.00000
      2     -21.7611      1.00000
      3     -21.5673      1.00000
      4     -21.5400      1.00000
      5     -21.2045      1.00000
      6     -21.1655      1.00000
      7     -20.9852      1.00000
      8     -20.0982      1.00000
      9     -20.0593      1.00000
     10     -19.5458      1.00000
     11     -19.5256      1.00000
     12     -19.3443      1.00000
     13     -19.0276      1.00000
     14     -18.9876      1.00000
     15     -18.9770      1.00000
     16     -18.9713      1.00000
     17     -18.2955      1.00000
     18     -18.2820      1.00000
     19     -17.9456      1.00000
     20     -16.9999      1.00000
     21     -16.9588      1.00000
     22     -16.8823      1.00000
     23     -16.8694      1.00000
     24     -16.4160      1.00000
     25     -16.3931      1.00000
     26     -15.5398      1.00000
     27     -15.5364      1.00000
     28     -15.1717      1.00000
     29     -15.1701      1.00000
     30     -15.1313      1.00000
     31     -15.0367      1.00000
     32     -15.0014      1.00000
     33     -14.6326      1.00000
     34     -14.6256      1.00000
     35     -13.6621      1.00000
     36     -13.6521      1.00000
     37     -13.1712      1.00000
     38     -12.5733      1.00000
     39     -12.5134      1.00000
     40     -12.3856      1.00000
     41     -12.3851      1.00000
     42     -12.0343      1.00000
     43     -12.0301      1.00000
     44     -11.6539      1.00000
     45     -11.6134      1.00000
     46     -11.2066      1.00000
     47     -11.1570      1.00000
     48     -10.9552      1.00000
     49     -10.9421      1.00000
     50     -10.8595      1.00000
     51     -10.8270      1.00000
     52     -10.6257      1.00000
     53     -10.1473      1.00000
     54     -10.0845      1.00000
     55     -10.0253      1.00000
     56      -9.9464      1.00000
     57      -9.6305      1.00000
     58      -9.6290      1.00000
     59      -9.6028      1.00000
     60      -9.5405      1.00000
     61      -9.5023      1.00000
     62      -9.4782      1.00000
     63      -9.2730      1.00000
     64      -9.2352      1.00000
     65      -9.2069      1.00000
     66      -9.1785      1.00000
     67      -9.0619      1.00000
     68      -9.0469      1.00000
     69      -9.0432      1.00000
     70      -8.8766      1.00000
     71      -8.8075      1.00000
     72      -8.5363      1.00000
     73      -8.5322      1.00000
     74      -8.5015      1.00000
     75      -8.0316      1.00000
     76      -7.8317      1.00000
     77      -7.8005      1.00000
     78      -7.7732      1.00000
     79      -7.7028      1.00000
     80      -7.6843      1.00000
     81      -7.4134      1.00000
     82      -7.2875      1.00000
     83      -7.2515      1.00000
     84      -7.2031      1.00000
     85      -7.0822      1.00000
     86      -7.0747      1.00000
     87      -6.9369      1.00000
     88      -6.7115      1.00000
     89      -6.6743      1.00000
     90      -6.6287      1.00000
     91      -6.5568      1.00000
     92      -6.0721      1.00000
     93      -6.0317      1.00000
     94      -6.0008      1.00000
     95      -5.9362      1.00000
     96      -5.8007      1.00000
     97      -5.1827      1.00000
     98      -4.8956      1.00000
     99      -4.7938      1.00000
    100      -4.6104      1.00000
    101      -4.5119      1.00000
    102      -4.1404      1.00000
    103      -4.0918      1.00000
    104      -3.9307      1.00000
    105      -3.9166      1.00000
    106      -3.8299      1.00000
    107      -1.7512      0.00000
    108      -1.6952      0.00000
    109      -1.4097      0.00000
    110      -1.3709      0.00000
    111      -1.2640      0.00000
    112      -1.2362      0.00000
    113      -0.6221      0.00000
    114      -0.5985      0.00000
    115      -0.1899      0.00000
    116       0.0437      0.00000
    117       0.5836      0.00000
    118       0.7406      0.00000
    119       0.8505      0.00000
    120       0.9284      0.00000
    121       1.1675      0.00000
    122       1.2105      0.00000
    123       1.2468      0.00000
    124       1.4183      0.00000
    125       1.5984      0.00000
    126       1.6377      0.00000
    127       1.7039      0.00000
    128       1.8039      0.00000
    129       1.9228      0.00000
    130       1.9405      0.00000
    131       2.1483      0.00000
    132       2.1717      0.00000
    133       2.2602      0.00000
    134       2.2985      0.00000
    135       2.5414      0.00000
    136       2.5572      0.00000
    137       2.6323      0.00000
    138       2.7601      0.00000
    139       2.8060      0.00000
    140       2.8452      0.00000
    141       2.8935      0.00000
    142       2.9420      0.00000
    143       3.0131      0.00000
    144       3.0262      0.00000
    145       3.0834      0.00000
    146       3.3085      0.00000
    147       3.3687      0.00000
    148       3.4153      0.00000
    149       3.4775      0.00000
    150       3.5988      0.00000
    151       3.6565      0.00000
    152       3.6623      0.00000
    153       3.6784      0.00000
    154       3.8905      0.00000
    155       3.9746      0.00000
    156       4.0237      0.00000
    157       4.0708      0.00000
    158       4.2336      0.00000
    159       4.2548      0.00000
    160       4.2645      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1405      1.00000
      2     -22.0476      1.00000
      3     -21.8855      1.00000
      4     -21.3350      1.00000
      5     -20.9763      1.00000
      6     -20.9467      1.00000
      7     -20.4276      1.00000
      8     -20.3955      1.00000
      9     -20.2155      1.00000
     10     -20.2137      1.00000
     11     -19.8873      1.00000
     12     -19.8235      1.00000
     13     -18.8172      1.00000
     14     -18.7464      1.00000
     15     -18.2654      1.00000
     16     -18.2512      1.00000
     17     -18.0798      1.00000
     18     -18.0733      1.00000
     19     -17.7455      1.00000
     20     -17.7296      1.00000
     21     -17.1948      1.00000
     22     -17.1714      1.00000
     23     -17.0876      1.00000
     24     -17.0676      1.00000
     25     -16.0549      1.00000
     26     -15.8074      1.00000
     27     -15.7979      1.00000
     28     -15.7778      1.00000
     29     -15.1580      1.00000
     30     -14.4850      1.00000
     31     -14.4635      1.00000
     32     -14.2030      1.00000
     33     -13.9168      1.00000
     34     -13.8870      1.00000
     35     -13.7592      1.00000
     36     -13.7391      1.00000
     37     -13.5355      1.00000
     38     -13.5095      1.00000
     39     -13.3012      1.00000
     40     -12.5770      1.00000
     41     -12.1005      1.00000
     42     -12.0763      1.00000
     43     -11.9975      1.00000
     44     -11.9499      1.00000
     45     -11.6061      1.00000
     46     -11.5983      1.00000
     47     -11.0842      1.00000
     48     -11.0607      1.00000
     49     -10.7313      1.00000
     50     -10.6635      1.00000
     51     -10.5605      1.00000
     52     -10.1397      1.00000
     53     -10.1350      1.00000
     54     -10.1004      1.00000
     55      -9.9662      1.00000
     56      -9.9254      1.00000
     57      -9.9210      1.00000
     58      -9.7511      1.00000
     59      -9.7290      1.00000
     60      -9.6974      1.00000
     61      -9.6947      1.00000
     62      -9.4012      1.00000
     63      -9.3882      1.00000
     64      -9.0691      1.00000
     65      -8.9825      1.00000
     66      -8.9815      1.00000
     67      -8.9052      1.00000
     68      -8.8115      1.00000
     69      -8.6495      1.00000
     70      -8.6337      1.00000
     71      -8.5488      1.00000
     72      -8.5012      1.00000
     73      -8.4816      1.00000
     74      -8.3938      1.00000
     75      -8.3817      1.00000
     76      -8.2098      1.00000
     77      -8.1021      1.00000
     78      -8.0070      1.00000
     79      -7.9019      1.00000
     80      -7.8438      1.00000
     81      -7.6214      1.00000
     82      -7.5323      1.00000
     83      -7.4562      1.00000
     84      -7.2529      1.00000
     85      -6.9435      1.00000
     86      -6.8694      1.00000
     87      -6.8102      1.00000
     88      -6.4777      1.00000
     89      -6.4680      1.00000
     90      -6.4082      1.00000
     91      -6.3597      1.00000
     92      -6.1926      1.00000
     93      -5.8578      1.00000
     94      -5.7373      1.00000
     95      -5.7110      1.00000
     96      -5.5244      1.00000
     97      -5.3289      1.00000
     98      -5.1719      1.00000
     99      -5.1673      1.00000
    100      -5.1338      1.00000
    101      -4.6958      1.00000
    102      -4.3475      1.00000
    103      -4.2820      1.00000
    104      -4.0301      1.00000
    105      -3.8324      1.00000
    106      -3.2329      1.00000
    107      -2.4044      0.00000
    108      -1.3444      0.00000
    109      -1.2440      0.00000
    110      -1.1527      0.00000
    111      -1.1079      0.00000
    112      -0.5815      0.00000
    113      -0.5214      0.00000
    114      -0.4339      0.00000
    115      -0.2747      0.00000
    116      -0.0695      0.00000
    117      -0.0103      0.00000
    118       0.0597      0.00000
    119       0.5834      0.00000
    120       0.7112      0.00000
    121       0.8091      0.00000
    122       0.9439      0.00000
    123       1.1828      0.00000
    124       1.5081      0.00000
    125       1.6205      0.00000
    126       1.8569      0.00000
    127       2.0023      0.00000
    128       2.0498      0.00000
    129       2.1105      0.00000
    130       2.1501      0.00000
    131       2.2611      0.00000
    132       2.2860      0.00000
    133       2.3480      0.00000
    134       2.4610      0.00000
    135       2.6101      0.00000
    136       2.6995      0.00000
    137       2.8168      0.00000
    138       2.9147      0.00000
    139       2.9421      0.00000
    140       3.0138      0.00000
    141       3.0461      0.00000
    142       3.1556      0.00000
    143       3.1622      0.00000
    144       3.2224      0.00000
    145       3.2980      0.00000
    146       3.3098      0.00000
    147       3.3528      0.00000
    148       3.3723      0.00000
    149       3.4154      0.00000
    150       3.4424      0.00000
    151       3.5571      0.00000
    152       3.6106      0.00000
    153       3.6991      0.00000
    154       3.7220      0.00000
    155       3.8459      0.00000
    156       3.9037      0.00000
    157       3.9305      0.00000
    158       3.9589      0.00000
    159       4.1436      0.00000
    160       4.1791      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2132      1.00000
      2     -22.0080      1.00000
      3     -21.6460      1.00000
      4     -21.6146      1.00000
      5     -20.9096      1.00000
      6     -20.8687      1.00000
      7     -20.5389      1.00000
      8     -20.5063      1.00000
      9     -20.4994      1.00000
     10     -19.9621      1.00000
     11     -19.4405      1.00000
     12     -19.4186      1.00000
     13     -19.2397      1.00000
     14     -19.2325      1.00000
     15     -18.3759      1.00000
     16     -18.3407      1.00000
     17     -17.8587      1.00000
     18     -17.8425      1.00000
     19     -17.6910      1.00000
     20     -17.6550      1.00000
     21     -17.3722      1.00000
     22     -17.3578      1.00000
     23     -17.2664      1.00000
     24     -16.4135      1.00000
     25     -16.3898      1.00000
     26     -15.9056      1.00000
     27     -15.3429      1.00000
     28     -15.3378      1.00000
     29     -15.0305      1.00000
     30     -15.0207      1.00000
     31     -14.7753      1.00000
     32     -14.7731      1.00000
     33     -14.2381      1.00000
     34     -14.1874      1.00000
     35     -13.3881      1.00000
     36     -13.3337      1.00000
     37     -13.1106      1.00000
     38     -13.1023      1.00000
     39     -12.9182      1.00000
     40     -12.9124      1.00000
     41     -12.5448      1.00000
     42     -12.5368      1.00000
     43     -12.1339      1.00000
     44     -11.5129      1.00000
     45     -11.4683      1.00000
     46     -11.2438      1.00000
     47     -11.2121      1.00000
     48     -11.0870      1.00000
     49     -10.7071      1.00000
     50     -10.5954      1.00000
     51     -10.5093      1.00000
     52     -10.2515      1.00000
     53     -10.2473      1.00000
     54     -10.1220      1.00000
     55     -10.0539      1.00000
     56     -10.0383      1.00000
     57      -9.7852      1.00000
     58      -9.6872      1.00000
     59      -9.6734      1.00000
     60      -9.6377      1.00000
     61      -9.6280      1.00000
     62      -9.5854      1.00000
     63      -9.2959      1.00000
     64      -9.2836      1.00000
     65      -9.2521      1.00000
     66      -9.0661      1.00000
     67      -8.8947      1.00000
     68      -8.8834      1.00000
     69      -8.7182      1.00000
     70      -8.5822      1.00000
     71      -8.5251      1.00000
     72      -8.3509      1.00000
     73      -8.3047      1.00000
     74      -8.2430      1.00000
     75      -8.2378      1.00000
     76      -8.1938      1.00000
     77      -8.1803      1.00000
     78      -8.1687      1.00000
     79      -8.1088      1.00000
     80      -7.6898      1.00000
     81      -7.4187      1.00000
     82      -7.3441      1.00000
     83      -7.2583      1.00000
     84      -7.1693      1.00000
     85      -7.1103      1.00000
     86      -7.0038      1.00000
     87      -6.9038      1.00000
     88      -6.8472      1.00000
     89      -6.5408      1.00000
     90      -6.4992      1.00000
     91      -6.2147      1.00000
     92      -6.2005      1.00000
     93      -5.8943      1.00000
     94      -5.6739      1.00000
     95      -5.6086      1.00000
     96      -5.5802      1.00000
     97      -5.2530      1.00000
     98      -5.2310      1.00000
     99      -5.1647      1.00000
    100      -5.1343      1.00000
    101      -4.5992      1.00000
    102      -4.2517      1.00000
    103      -4.0465      1.00000
    104      -3.8843      1.00000
    105      -3.8443      1.00000
    106      -3.8006      1.00000
    107      -1.8073      0.00000
    108      -1.7798      0.00000
    109      -1.2243      0.00000
    110      -1.1758      0.00000
    111      -0.9735      0.00000
    112      -0.7337      0.00000
    113      -0.6500      0.00000
    114      -0.5935      0.00000
    115      -0.5498      0.00000
    116      -0.1503      0.00000
    117       0.1764      0.00000
    118       0.2879      0.00000
    119       0.7047      0.00000
    120       0.9488      0.00000
    121       1.1687      0.00000
    122       1.2785      0.00000
    123       1.3462      0.00000
    124       1.5111      0.00000
    125       1.6075      0.00000
    126       1.6270      0.00000
    127       1.6922      0.00000
    128       1.7732      0.00000
    129       1.8597      0.00000
    130       2.0774      0.00000
    131       2.1627      0.00000
    132       2.3171      0.00000
    133       2.3905      0.00000
    134       2.4218      0.00000
    135       2.5543      0.00000
    136       2.6238      0.00000
    137       2.6851      0.00000
    138       2.7450      0.00000
    139       2.8133      0.00000
    140       2.9073      0.00000
    141       3.0512      0.00000
    142       3.0607      0.00000
    143       3.1802      0.00000
    144       3.2784      0.00000
    145       3.3772      0.00000
    146       3.4110      0.00000
    147       3.4575      0.00000
    148       3.5473      0.00000
    149       3.5708      0.00000
    150       3.6317      0.00000
    151       3.6623      0.00000
    152       3.7013      0.00000
    153       3.7824      0.00000
    154       3.7961      0.00000
    155       3.8223      0.00000
    156       3.8918      0.00000
    157       3.9032      0.00000
    158       3.9749      0.00000
    159       4.1870      0.00000
    160       4.2300      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0400   -7.2559    3.9849   -1.1328   -0.1858   17.3785    0.4904   -0.8142    0.7717   -0.4772
x    -3.1249   -0.0255   -0.0212   -0.0254    0.0910   -3.0537    0.0298   -0.0244    0.0084    0.0018
x    -0.0954   -0.0029    0.0035   -0.0031    0.0022   -0.0242    0.0000    0.0000   -0.0001    0.0001
x    -0.0035   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0400    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0034    0.0000    0.0004    0.0007    0.0028   -0.0985   -0.0317    0.0620    0.0183
y     0.0233   -3.2429   -0.1784    0.1698   -2.4129   -0.6649
z   204.0400    1.7388    0.2892    0.0891   -0.0013    0.0776   -0.0019    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1048    0.0015   -0.0010   -0.0001    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0013   -0.0001    0.0001    0.0000
z    -0.0001    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  -16.6955
z     0.1387    0.2300   -0.0310    0.0576   -0.0902    0.0006
 total charge-density along one line
x   212.0000  -10.0866    5.9313   -1.9414   -0.4212   19.2922   -0.6583    0.2076    0.0671   -0.1070
x    -2.7050   -0.0092    0.0012   -0.0443    0.0966   -2.3453    0.0473   -0.0345    0.0118    0.0024
x    -0.0855   -0.0054    0.0083   -0.0079    0.0054   -0.0375    0.0000   -0.0001    0.0003   -0.0004
x    -0.0054    0.0000   -0.0002    0.0001    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  -10.0866    5.9313   -1.9414   -0.4212   19.2922   -0.6583    0.2076    0.0671   -0.1070
y    -2.7050   -0.0092    0.0012   -0.0443    0.0966   -2.3453    0.0473   -0.0345    0.0118    0.0024
y    -0.0855   -0.0054    0.0083   -0.0079    0.0054   -0.0375    0.0000   -0.0001    0.0003   -0.0004
y    -0.0054    0.0000   -0.0002    0.0001    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 -205.3080  188.8768 -170.1729  154.0898 -140.4075  126.5012 -111.0204   94.7510  -79.0873
z    64.7227  -51.7887   40.5554  -31.5061   24.7858  -19.8615   15.8630  -12.2158    8.9100   -6.2238
z     4.2924   -2.9599    1.9618   -1.1535    0.5429   -0.1575   -0.0608    0.2213   -0.3836    0.5186
z    -0.5686    0.5252   -0.4413    0.3769   -0.3478    0.3293   -0.2950    0.2452   -0.1976    0.1643
z    -0.1415    0.1197   -0.0959    0.0749   -0.0611    0.0533   -0.0469    0.0391   -0.0314    0.0258
z    -0.0227    0.0203   -0.0173    0.0141   -0.0113    0.0093   -0.0076    0.0058   -0.0043    0.0032
z    -0.0022    0.0013   -0.0004   -0.0002    0.0004   -0.0004    0.0005   -0.0008    0.0009   -0.0007
z     0.0004   -0.0002    0.0001   -0.0001    0.0000    0.0001   -0.0003    0.0003   -0.0004    0.0003
z    -0.0003    0.0003   -0.0002    0.0002   -0.0002    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001
z     0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 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
-10.940   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.269   0.000  -0.101   0.000   0.000   0.239   0.000
  0.041   0.000 -11.245   0.000  -0.024  -0.006   0.000   0.238
  0.000  -0.101   0.000 -11.153   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.938   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.238   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.226   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.199   0.000   0.000   0.000
  0.036   0.000   0.101   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.025   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.940   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.269   0.000  -0.101   0.000   0.000   0.239   0.000
  0.041   0.000 -11.245   0.000  -0.024  -0.006   0.000   0.238
  0.000  -0.101   0.000 -11.153   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.938   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.238   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.226   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.199   0.000   0.000   0.000
  0.036   0.000   0.101   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.025   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.960   0.000  -0.027   0.000   0.002   0.021   0.000   0.057   0.000  -0.014  -0.026   0.024   0.000  -0.001   0.000   0.000
  0.000   1.587   0.000  -0.146   0.000   0.000   0.594   0.000   0.259   0.000   0.000   0.000   0.160   0.000   0.106  -0.035
 -0.027   0.000   1.788   0.000   0.019   0.044   0.000   0.356   0.000  -0.027  -0.233  -0.044   0.000   0.096   0.000   0.000
  0.000  -0.146   0.000   1.755   0.000   0.000   0.259   0.000   0.295   0.000   0.000   0.000   0.108   0.000   0.038   0.005
  0.002   0.000   0.019   0.000   1.966  -0.014   0.000  -0.035   0.000   0.003   0.010  -0.015   0.000   0.003   0.000   0.000
  0.021   0.000   0.044   0.000  -0.014   0.063   0.000   0.101   0.000  -0.024   0.191  -0.052   0.000   0.116   0.000   0.000
  0.000   0.594   0.000   0.259   0.000   0.000   0.329   0.000   0.106   0.000   0.000   0.000   0.056   0.000   0.066  -0.011
  0.057   0.000   0.356   0.000  -0.035   0.101   0.000   0.566   0.000  -0.057   0.703  -0.294   0.000   0.087   0.000   0.000
  0.000   0.259   0.000   0.295   0.000   0.000   0.106   0.000   0.207   0.000   0.000   0.000   0.065   0.000  -0.020  -0.006
 -0.014   0.000  -0.027   0.000   0.003  -0.024   0.000  -0.057   0.000   0.036  -0.109   0.030   0.000  -0.068   0.000   0.000
 -0.026   0.000  -0.233   0.000   0.010   0.191   0.000   0.703   0.000  -0.109   1.352  -0.433   0.000   0.265   0.000   0.000
  0.024   0.000  -0.044   0.000  -0.015  -0.052   0.000  -0.294   0.000   0.030  -0.433   0.193   0.000  -0.034   0.000   0.000
  0.000   0.160   0.000   0.108   0.000   0.000   0.056   0.000   0.065   0.000   0.000   0.000   0.043   0.000   0.012  -0.004
 -0.001   0.000   0.096   0.000   0.003   0.116   0.000   0.087   0.000  -0.068   0.265  -0.034   0.000   0.310   0.000   0.000
  0.000   0.106   0.000   0.038   0.000   0.000   0.066   0.000  -0.020   0.000   0.000   0.000   0.012   0.000   0.031  -0.002
  0.000  -0.035   0.000   0.005   0.000   0.000  -0.011   0.000  -0.006   0.000   0.000   0.000  -0.004   0.000  -0.002   0.001
  0.001   0.000  -0.037   0.000  -0.001  -0.005   0.000  -0.009   0.000   0.003  -0.007   0.000   0.000  -0.014   0.000   0.000
  0.000   0.005   0.000  -0.041   0.000   0.000  -0.006   0.000  -0.004   0.000   0.000   0.000  -0.002   0.000  -0.002   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        0.639   0.278   8.027   8.943
  2        0.514   0.028   0.000   0.542
  3        0.514   0.028   0.000   0.542
  4        0.864   1.783   0.000   2.647
  5        0.864   1.783   0.000   2.646
  6        0.864   1.782   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   1.783   0.000   2.647
 10        0.864   1.784   0.000   2.648
 11        0.863   1.783   0.000   2.646
 12        0.864   1.784   0.000   2.648
 13        0.864   1.783   0.000   2.646
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.863   1.777   0.000   2.640
 17        0.856   1.772   0.000   2.629
 18        0.864   1.784   0.000   2.647
 19        0.864   1.782   0.000   2.646
 20        0.864   1.782   0.000   2.645
 21        0.863   1.781   0.000   2.644
 22        0.863   1.776   0.000   2.639
 23        0.863   1.783   0.000   2.646
 24        0.864   1.783   0.000   2.646
 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   1.783   0.000   2.647
 29        0.864   1.783   0.000   2.646
 30        0.864   1.783   0.000   2.647
 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   1.782   0.000   2.646
 35        0.863   1.783   0.000   2.646
 36        0.863   1.776   0.000   2.639
 37        0.863   1.781   0.000   2.644
 38        0.864   1.782   0.000   2.645
 39        0.864   1.784   0.000   2.648
 40        0.864   1.784   0.000   2.647
 41        0.856   1.772   0.000   2.629
 42        0.863   1.777   0.000   2.640
 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   2.646
 46        0.864   1.784   0.000   2.648
 47        0.863   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   1.783   0.000   2.647
 51        0.864   1.784   0.000   2.648
 52        0.864   1.782   0.000   2.646
 53        0.864   1.783   0.000   2.646
------------------------------------------------
tot       44.832  89.435   8.027 142.293
 


 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  114.63: CPU time   57.77
    FORLOC:  VPU time    1.23: CPU time    1.23
    FORNL :  VPU time  442.74: CPU time  221.82
    STRESS:  VPU time 1358.03: CPU time  682.64
    FORCOR:  VPU time    8.77: CPU time    8.77
    FORHAR:  VPU time    2.31: CPU time    2.30
    MIXING:  VPU time    0.18: CPU time    0.18
 d Force = 0.1573438E-04[-0.640E-04, 0.954E-04]  d Energy = 0.2690034E-03-0.253E-03
 d Force =-0.4679310E+00[-0.468E+00,-0.468E+00]  d Ewald  = 0.7737921E+00-0.124E+01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.644769 eV

  energy  without entropy=     -471.644769  energy(sigma->0) =     -471.644769
 

  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    40729.60  40746.33 -47430.97     14.49      0.00      0.00
  Hartree  40195.72  40199.47 -39450.12      3.25      0.00      0.00
  E(xc)     -779.75   -779.55   -807.27      0.17      0.00      0.00
  Local   -83218.63 -83232.85  84198.52    -12.31      0.00      0.00
  n-local   -215.77   -215.67   -203.79     -0.17      0.00      0.00
  augment     22.09     20.54     17.34     -1.34      0.00      0.00
  Kinetic   3168.67   3171.46   3582.12     -6.05      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.35     -0.12     -0.23      0.20      0.00      0.00
  in kB       -0.21     -0.07     -0.14      0.12      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
    12.347727866  0.001551010  0.000000000     0.080980689  0.046740728  0.000000000
    -6.172527361 10.694217567  0.000000000    -0.000011745  0.093501698  0.000000000
     0.000000000  0.000000000 19.976408816     0.000000000  0.000000000  0.050059048

  length of vectors
    12.347727963 12.347727864 19.976408816     0.093501698  0.093501699  0.050059048


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.418E-05 -.456E-04 -.960E+03   0.435E-05 -.275E-04 0.968E+03   -.842E-21 0.000E+00 -.783E+01   -.187E-06 0.116E-06 0.188E-02
   -.175E+02 -.304E+02 -.136E+03   0.184E+02 0.318E+02 0.139E+03   -.829E+00 -.144E+01 -.258E+01   0.579E-03 0.100E-02 -.651E-03
   0.175E+02 0.304E+02 -.136E+03   -.184E+02 -.318E+02 0.139E+03   0.829E+00 0.144E+01 -.258E+01   -.579E-03 -.100E-02 -.651E-03
   -.196E+01 0.113E+01 0.169E+02   0.198E+01 -.114E+01 -.169E+02   -.738E-02 0.426E-02 -.706E-02   -.827E-02 0.477E-02 -.147E-02
   0.580E+01 0.691E+01 0.196E+02   -.580E+01 -.695E+01 -.196E+02   0.764E-02 0.319E-01 -.209E-01   -.857E-02 0.573E-02 -.127E-02
   0.113E+02 0.504E+01 0.183E+02   -.113E+02 -.505E+01 -.183E+02   0.242E-01 0.840E-02 -.557E-01   -.720E-02 0.290E-02 -.366E-03
   0.454E+01 -.103E+01 0.164E+02   -.455E+01 0.104E+01 -.164E+02   0.214E-01 -.178E-01 -.282E-02   -.766E-02 0.423E-02 -.256E-03
   -.292E+01 -.240E+01 0.149E+02   0.294E+01 0.241E+01 -.149E+02   -.127E-01 -.157E-01 -.263E-02   -.832E-02 0.559E-02 -.100E-02
   0.622E+00 0.373E+01 0.149E+02   -.616E+00 -.375E+01 -.149E+02   0.724E-02 0.189E-01 -.263E-02   -.901E-02 0.440E-02 -.101E-02
   0.275E+01 0.182E+02 0.245E+02   -.275E+01 -.183E+02 -.245E+02   0.115E-01 0.111E+00 -.109E-01   -.866E-02 0.265E-02 -.313E-04
   0.215E+02 0.226E+02 0.400E+02   -.216E+02 -.229E+02 -.400E+02   0.118E+00 0.227E+00 -.147E-01   -.637E-02 0.620E-02 0.321E-02
   0.265E+02 -.450E+01 0.271E+02   -.268E+02 0.461E+01 -.270E+02   0.238E+00 -.121E+00 -.555E-01   -.759E-02 0.500E-02 -.635E-03
   0.917E+01 -.530E+01 0.154E+02   -.918E+01 0.530E+01 -.155E+02   0.206E-01 -.119E-01 0.132E-02   -.991E-02 0.572E-02 -.119E-02
   0.317E+01 -.342E+01 0.164E+02   -.318E+01 0.342E+01 -.164E+02   0.261E-01 -.960E-02 -.282E-02   -.750E-02 0.452E-02 -.264E-03
   -.604E+01 0.132E+02 0.201E+02   0.605E+01 -.133E+02 -.201E+02   -.500E-02 0.751E-01 -.759E-02   -.781E-02 0.368E-02 0.315E-03
   -.123E+02 0.335E+02 0.462E+02   0.124E+02 -.342E+02 -.465E+02   -.887E-01 0.681E+00 0.352E+00   -.114E-01 0.549E-02 0.338E-03
   0.265E+02 -.153E+02 0.696E+02   -.275E+02 0.159E+02 -.717E+02   0.978E+00 -.565E+00 0.210E+01   -.570E-02 0.329E-02 -.425E-02
   0.172E+02 -.207E+02 0.271E+02   -.174E+02 0.209E+02 -.270E+02   0.223E+00 -.146E+00 -.555E-01   -.813E-02 0.407E-02 -.640E-03
   0.127E+01 -.123E+02 0.183E+02   -.127E+01 0.123E+02 -.183E+02   0.483E-02 -.252E-01 -.557E-01   -.610E-02 0.479E-02 -.372E-03
   -.386E+01 0.156E+01 0.144E+02   0.387E+01 -.157E+01 -.143E+02   -.578E-02 0.179E-02 -.404E-01   -.702E-02 0.527E-02 -.682E-03
   -.182E+02 0.105E+02 0.210E+02   0.183E+02 -.106E+02 -.209E+02   -.622E-01 0.359E-01 -.128E+00   -.906E-02 0.523E-02 -.138E-02
   -.352E+02 -.612E+01 0.462E+02   0.358E+02 0.637E+01 -.465E+02   -.634E+00 -.264E+00 0.352E+00   -.104E-01 0.710E-02 0.341E-03
   -.888E+01 -.299E+02 0.400E+02   0.903E+01 0.301E+02 -.400E+02   -.137E+00 -.216E+00 -.147E-01   -.855E-02 0.241E-02 0.321E-02
   -.308E+01 -.848E+01 0.196E+02   0.312E+01 0.849E+01 -.196E+02   -.238E-01 -.226E-01 -.209E-01   -.924E-02 0.455E-02 -.127E-02
   0.127E+01 -.736E+00 0.146E+02   -.126E+01 0.729E+00 -.146E+02   -.456E-03 0.263E-03 -.317E-01   -.799E-02 0.461E-02 -.119E-02
   -.328E+01 0.256E+01 0.144E+02   0.329E+01 -.257E+01 -.143E+02   -.444E-02 0.411E-02 -.404E-01   -.807E-02 0.345E-02 -.677E-03
   -.144E+02 -.136E+01 0.201E+02   0.145E+02 0.139E+01 -.201E+02   -.676E-01 -.332E-01 -.759E-02   -.709E-02 0.492E-02 0.323E-03
   -.144E+02 -.115E+02 0.245E+02   0.145E+02 0.115E+02 -.245E+02   -.903E-01 -.655E-01 -.109E-01   -.662E-02 0.617E-02 -.284E-04
   0.308E+01 0.848E+01 0.196E+02   -.312E+01 -.849E+01 -.196E+02   0.238E-01 0.226E-01 -.209E-01   0.924E-02 -.455E-02 -.127E-02
   0.144E+02 0.115E+02 0.245E+02   -.145E+02 -.115E+02 -.245E+02   0.903E-01 0.655E-01 -.109E-01   0.662E-02 -.617E-02 -.284E-04
   0.144E+02 0.136E+01 0.201E+02   -.145E+02 -.139E+01 -.201E+02   0.676E-01 0.332E-01 -.759E-02   0.709E-02 -.492E-02 0.323E-03
   0.328E+01 -.256E+01 0.144E+02   -.329E+01 0.257E+01 -.143E+02   0.444E-02 -.411E-02 -.404E-01   0.807E-02 -.345E-02 -.677E-03
   -.127E+01 0.736E+00 0.146E+02   0.126E+01 -.729E+00 -.146E+02   0.456E-03 -.263E-03 -.317E-01   0.799E-02 -.461E-02 -.119E-02
   -.127E+01 0.123E+02 0.183E+02   0.127E+01 -.123E+02 -.183E+02   -.483E-02 0.252E-01 -.557E-01   0.610E-02 -.479E-02 -.372E-03
   0.888E+01 0.299E+02 0.400E+02   -.903E+01 -.301E+02 -.400E+02   0.137E+00 0.216E+00 -.147E-01   0.855E-02 -.241E-02 0.321E-02
   0.352E+02 0.612E+01 0.462E+02   -.358E+02 -.637E+01 -.465E+02   0.634E+00 0.264E+00 0.352E+00   0.104E-01 -.711E-02 0.341E-03
   0.182E+02 -.105E+02 0.210E+02   -.183E+02 0.106E+02 -.209E+02   0.622E-01 -.359E-01 -.128E+00   0.906E-02 -.523E-02 -.138E-02
   0.386E+01 -.156E+01 0.144E+02   -.387E+01 0.157E+01 -.143E+02   0.578E-02 -.179E-02 -.404E-01   0.702E-02 -.527E-02 -.682E-03
   -.317E+01 0.342E+01 0.164E+02   0.318E+01 -.342E+01 -.164E+02   -.261E-01 0.960E-02 -.282E-02   0.749E-02 -.452E-02 -.264E-03
   -.172E+02 0.207E+02 0.271E+02   0.174E+02 -.209E+02 -.270E+02   -.223E+00 0.146E+00 -.555E-01   0.813E-02 -.407E-02 -.640E-03
   -.265E+02 0.153E+02 0.696E+02   0.275E+02 -.159E+02 -.717E+02   -.978E+00 0.565E+00 0.210E+01   0.570E-02 -.329E-02 -.425E-02
   0.123E+02 -.335E+02 0.462E+02   -.124E+02 0.342E+02 -.465E+02   0.887E-01 -.681E+00 0.352E+00   0.114E-01 -.549E-02 0.338E-03
   0.604E+01 -.132E+02 0.201E+02   -.605E+01 0.133E+02 -.201E+02   0.500E-02 -.751E-01 -.759E-02   0.781E-02 -.368E-02 0.315E-03
   -.622E+00 -.373E+01 0.149E+02   0.616E+00 0.375E+01 -.149E+02   -.724E-02 -.189E-01 -.263E-02   0.901E-02 -.440E-02 -.101E-02
   -.917E+01 0.530E+01 0.154E+02   0.918E+01 -.530E+01 -.155E+02   -.206E-01 0.119E-01 0.132E-02   0.991E-02 -.572E-02 -.119E-02
   -.265E+02 0.450E+01 0.271E+02   0.268E+02 -.461E+01 -.270E+02   -.238E+00 0.121E+00 -.555E-01   0.759E-02 -.500E-02 -.635E-03
   -.215E+02 -.226E+02 0.400E+02   0.216E+02 0.229E+02 -.400E+02   -.118E+00 -.227E+00 -.147E-01   0.637E-02 -.620E-02 0.321E-02
   -.275E+01 -.182E+02 0.245E+02   0.275E+01 0.183E+02 -.245E+02   -.115E-01 -.111E+00 -.109E-01   0.866E-02 -.265E-02 -.313E-04
   0.196E+01 -.113E+01 0.169E+02   -.198E+01 0.114E+01 -.169E+02   0.738E-02 -.426E-02 -.706E-02   0.827E-02 -.477E-02 -.147E-02
   0.292E+01 0.240E+01 0.149E+02   -.294E+01 -.241E+01 -.149E+02   0.127E-01 0.157E-01 -.263E-02   0.832E-02 -.559E-02 -.100E-02
   -.454E+01 0.103E+01 0.164E+02   0.455E+01 -.104E+01 -.164E+02   -.214E-01 0.178E-01 -.282E-02   0.766E-02 -.423E-02 -.256E-03
   -.113E+02 -.504E+01 0.183E+02   0.113E+02 0.505E+01 -.183E+02   -.242E-01 -.840E-02 -.557E-01   0.720E-02 -.290E-02 -.366E-03
   -.580E+01 -.691E+01 0.196E+02   0.580E+01 0.695E+01 -.196E+02   -.764E-02 -.319E-01 -.209E-01   0.857E-02 -.573E-02 -.127E-02
 -----------------------------------------------------------------------------------------------
   -.182E-02 0.307E-03 0.860E+01   -.139E-12 0.121E-12 0.178E-13   0.290E-15 0.222E-15 -.857E+01   -.393E-07 0.460E-07 -.199E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85292      6.06073     12.33228         0.000000      0.000000      0.025178
      2.26014      6.76606     13.65162         0.006001      0.010395      0.012962
      1.44569      5.35540     13.65162        -0.006001     -0.010395      0.012962
      0.00054     -0.00031      9.95768         0.004086     -0.002359     -0.003537
     11.11242      2.13924      9.95949         0.004355     -0.004523     -0.004215
      9.87689      4.27876      9.97099         0.000694     -0.001437     -0.001598
      8.64350      6.41810      9.96991         0.002759     -0.000687     -0.000474
     -4.93641      8.55547      9.96578         0.003718     -0.002624     -0.002459
      2.47027     -0.00113      9.96578         0.004131     -0.001908     -0.002459
      1.23471      2.13599      9.97071         0.004751      0.001997     -0.002738
     -0.00402      4.27487      9.99868         0.003638     -0.005898      0.002869
     -1.23854      6.41597     10.00466         0.003747     -0.003830      0.002190
     -2.46728      8.55499      9.97820         0.006745     -0.003894     -0.001085
      4.93872      0.00123      9.96991         0.001974     -0.002046     -0.000474
      3.70496      2.13639      9.97770         0.001593      0.000407      0.001585
      2.47073      4.26298     10.04229         0.006631     -0.000890      0.002055
      1.22830      6.42135     10.11469         0.007201     -0.004157     -0.008280
     -0.00046      8.56039     10.00466         0.005190     -0.001330      0.002190
      7.40814      0.00275      9.97099         0.001591      0.000118     -0.001598
      6.17356      2.14000      9.97107         0.002778     -0.003037     -0.001209
      4.94043      4.27815      9.99907         0.005370     -0.003100     -0.001750
      3.71873      6.42456     10.04229         0.004086     -0.005297      0.002055
      2.47105      8.56181      9.99868         0.006927     -0.000202      0.002869
      9.87878      0.00252      9.95949         0.006094     -0.001510     -0.004215
      8.64287      2.14055      9.96228         0.003741     -0.002160     -0.002911
      7.40869      4.27931      9.97107         0.004019     -0.000887     -0.001209
      6.17751      6.41898      9.97770         0.000444     -0.001583      0.001585
      4.94273      8.55848      9.97071         0.000646     -0.005114     -0.002738
     -0.00042      1.42472      9.95949        -0.006094      0.001510     -0.004215
     -1.23690      3.56298      9.97071        -0.000646      0.005114     -0.002738
     -2.47168      5.70248      9.97770        -0.000444      0.001583      0.001585
     -3.70285      7.84215      9.97107        -0.004019      0.000887     -0.001209
     -4.93704      9.98091      9.96228        -0.003741      0.002160     -0.002911
      2.47022      1.42449      9.97099        -0.001591     -0.000118     -0.001598
      1.23479      3.55965      9.99868        -0.006927      0.000202      0.002869
     -0.01289      5.69690     10.04229        -0.004086      0.005297      0.002055
     -1.23460      7.84331      9.99907        -0.005370      0.003100     -0.001750
     -2.46772      9.98146      9.97107        -0.002778      0.003037     -0.001209
      4.93964      1.42601      9.96991        -0.001974      0.002046     -0.000474
      3.70630      3.56107     10.00466        -0.005190      0.001330      0.002190
      2.47754      5.70011     10.11469        -0.007201      0.004157     -0.008280
      1.23510      7.85848     10.04229        -0.006631      0.000890      0.002055
      0.00087      9.98506      9.97770        -0.001593     -0.000407      0.001585
      7.40809      1.42837      9.96578        -0.004131      0.001908     -0.002459
      6.17311      3.56646      9.97820        -0.006745      0.003894     -0.001085
      4.94438      5.70549     10.00466        -0.003747      0.003830      0.002190
      3.70985      7.84659      9.99868        -0.003638      0.005898      0.002869
      2.47112      9.98547      9.97071        -0.004751     -0.001997     -0.002738
      9.87782      1.42755      9.95768        -0.004086      0.002359     -0.003537
      8.64225      3.56599      9.96578        -0.003718      0.002624     -0.002459
      7.41006      5.70491      9.96991        -0.002759      0.000687     -0.000474
      6.17667      7.84425      9.97099        -0.000694      0.001437     -0.001598
      4.94114      9.98377      9.95949        -0.004355      0.004523     -0.004215
 -----------------------------------------------------------------------------------
    total drift:                               -0.001815      0.000307      0.007369


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




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


    WAVPRE:  VPU time    1.98: CPU time    1.98
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.36: CPU time    1.36
    ORTHCH:  VPU time  190.27: CPU time   95.31
     LOOP+:  VPU time 5589.00: CPU time 2867.65


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


    POTLOK:  VPU time    9.21: CPU time    9.17
    SETDIJ:  VPU time    0.35: CPU time    0.34
    EDDAV :  VPU time 1542.89: CPU time  801.96
 BZINTS: Fermi energy: -3.154500;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  114.04: CPU time   57.65
    MIXING:  VPU time    0.16: CPU time    0.16
    ------------------------------------------
      LOOP:  VPU time 1666.71: CPU time  869.33

 eigenvalue-minimisations  :  4736
 total energy-change (2. order) :-0.4716447E+03  (-0.2106997E-04)
 number of electron  212.0000029 magnetization    0.0000000
 augmentation part     7.9600358 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.57642E-03    rms(broyden)= 0.57616E-03
  rms(prec ) = 0.61427E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34044.88622132
  -1/2 Hartree   DENC   =    -40944.99847843
  -V(xc)+E(xc)   XCENC  =       726.60846783
  PAW double counting   =      4092.87584002    -4131.26030047
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.19634899
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64474513 eV

  energy without entropy =     -471.64474513  energy(sigma->0) =     -471.64474513


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




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


    POTLOK:  VPU time    9.07: CPU time    9.07
    SETDIJ:  VPU time    0.34: CPU time    0.33
    EDDAV :  VPU time 1385.86: CPU time  717.71
 BZINTS: Fermi energy: -3.154218;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1395.34: CPU time  727.15

 eigenvalue-minimisations  :  4064
 total energy-change (2. order) :-0.1248520E-05  (-0.1650454E-05)
 number of electron  212.0000029 magnetization    0.0000000
 augmentation part     7.9600358 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34044.88622132
  -1/2 Hartree   DENC   =    -40944.99678224
  -V(xc)+E(xc)   XCENC  =       726.60834409
  PAW double counting   =      4092.86896975    -4131.25352495
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.19782795
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64474637 eV

  energy without entropy =     -471.64474637  energy(sigma->0) =     -471.64474637


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




 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 -58.5417       2 -39.9847       3 -39.9847       4 -58.2440       5 -58.2485
       6 -58.2557       7 -58.2466       8 -58.2447       9 -58.2447      10 -58.2606
      11 -58.3154      12 -58.2922      13 -58.2497      14 -58.2466      15 -58.2575
      16 -58.4378      17 -58.7319      18 -58.2922      19 -58.2557      20 -58.2501
      21 -58.2772      22 -58.4378      23 -58.3154      24 -58.2485      25 -58.2434
      26 -58.2501      27 -58.2575      28 -58.2607      29 -58.2484      30 -58.2605
      31 -58.2574      32 -58.2500      33 -58.2433      34 -58.2556      35 -58.3153
      36 -58.4378      37 -58.2771      38 -58.2500      39 -58.2464      40 -58.2921
      41 -58.7318      42 -58.4378      43 -58.2574      44 -58.2446      45 -58.2496
      46 -58.2921      47 -58.3153      48 -58.2605      49 -58.2439      50 -58.2446
      51 -58.2465      52 -58.2556      53 -58.2484
 
 
 
 E-fermi :  -3.1542     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     -22.3559      1.00000
      2     -21.5364      1.00000
      3     -21.4063      1.00000
      4     -21.4055      1.00000
      5     -21.3743      1.00000
      6     -21.3651      1.00000
      7     -21.3579      1.00000
      8     -19.6459      1.00000
      9     -19.5715      1.00000
     10     -19.5647      1.00000
     11     -19.5580      1.00000
     12     -19.5396      1.00000
     13     -19.5369      1.00000
     14     -18.7278      1.00000
     15     -18.6790      1.00000
     16     -18.6718      1.00000
     17     -18.6582      1.00000
     18     -18.6427      1.00000
     19     -18.6406      1.00000
     20     -16.5860      1.00000
     21     -16.5258      1.00000
     22     -16.5236      1.00000
     23     -16.5107      1.00000
     24     -16.4863      1.00000
     25     -16.4847      1.00000
     26     -15.5581      1.00000
     27     -15.5259      1.00000
     28     -15.5250      1.00000
     29     -15.4995      1.00000
     30     -15.4941      1.00000
     31     -15.4884      1.00000
     32     -14.2060      1.00000
     33     -14.1800      1.00000
     34     -14.1670      1.00000
     35     -14.1649      1.00000
     36     -14.1592      1.00000
     37     -14.1480      1.00000
     38     -11.8842      1.00000
     39     -11.8076      1.00000
     40     -11.7921      1.00000
     41     -11.7915      1.00000
     42     -11.7884      1.00000
     43     -11.7826      1.00000
     44     -11.7045      1.00000
     45     -11.6974      1.00000
     46     -11.6721      1.00000
     47     -11.6579      1.00000
     48     -11.6571      1.00000
     49     -11.6498      1.00000
     50     -10.6748      1.00000
     51     -10.3286      1.00000
     52     -10.3210      1.00000
     53     -10.3053      1.00000
     54     -10.3034      1.00000
     55     -10.2905      1.00000
     56     -10.2773      1.00000
     57      -9.9286      1.00000
     58      -9.3726      1.00000
     59      -9.3590      1.00000
     60      -9.2998      1.00000
     61      -9.2914      1.00000
     62      -9.2846      1.00000
     63      -9.0917      1.00000
     64      -9.0549      1.00000
     65      -9.0485      1.00000
     66      -9.0269      1.00000
     67      -9.0059      1.00000
     68      -9.0010      1.00000
     69      -8.9997      1.00000
     70      -8.9956      1.00000
     71      -8.9915      1.00000
     72      -8.9721      1.00000
     73      -8.9648      1.00000
     74      -8.9534      1.00000
     75      -8.5010      1.00000
     76      -7.5156      1.00000
     77      -7.4106      1.00000
     78      -7.4096      1.00000
     79      -7.4010      1.00000
     80      -7.3833      1.00000
     81      -7.3631      1.00000
     82      -7.3411      1.00000
     83      -7.3084      1.00000
     84      -7.2689      1.00000
     85      -7.2061      1.00000
     86      -7.1797      1.00000
     87      -7.1793      1.00000
     88      -7.0749      1.00000
     89      -6.5094      1.00000
     90      -6.4612      1.00000
     91      -6.3550      1.00000
     92      -6.2931      1.00000
     93      -6.2871      1.00000
     94      -6.2861      1.00000
     95      -5.8960      1.00000
     96      -5.8853      1.00000
     97      -5.0508      1.00000
     98      -4.9380      1.00000
     99      -4.5398      1.00000
    100      -4.3403      1.00000
    101      -4.3176      1.00000
    102      -4.3168      1.00000
    103      -4.1151      1.00000
    104      -3.9131      1.00000
    105      -3.9011      1.00000
    106      -3.8354      1.00000
    107      -1.6813      0.00000
    108      -1.6676      0.00000
    109      -1.5367      0.00000
    110      -1.5349      0.00000
    111      -1.5219      0.00000
    112      -1.5088      0.00000
    113      -0.5842      0.00000
    114       0.1345      0.00000
    115       0.2057      0.00000
    116       0.3252      0.00000
    117       0.3267      0.00000
    118       0.3341      0.00000
    119       0.4965      0.00000
    120       0.5963      0.00000
    121       1.2595      0.00000
    122       1.2742      0.00000
    123       1.5275      0.00000
    124       1.7954      0.00000
    125       1.8037      0.00000
    126       1.8071      0.00000
    127       1.8118      0.00000
    128       1.9463      0.00000
    129       1.9802      0.00000
    130       2.0321      0.00000
    131       2.0455      0.00000
    132       2.0508      0.00000
    133       2.0551      0.00000
    134       2.0611      0.00000
    135       2.3073      0.00000
    136       2.3242      0.00000
    137       2.6115      0.00000
    138       2.6193      0.00000
    139       2.6472      0.00000
    140       2.7241      0.00000
    141       2.8613      0.00000
    142       3.0255      0.00000
    143       3.0547      0.00000
    144       3.0844      0.00000
    145       3.0981      0.00000
    146       3.0996      0.00000
    147       3.1012      0.00000
    148       3.2318      0.00000
    149       3.4502      0.00000
    150       3.5383      0.00000
    151       3.7853      0.00000
    152       3.9417      0.00000
    153       3.9427      0.00000
    154       3.9531      0.00000
    155       3.9568      0.00000
    156       3.9969      0.00000
    157       4.1809      0.00000
    158       4.2688      0.00000
    159       4.2878      0.00000
    160       4.2878      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3193      1.00000
      2     -21.7608      1.00000
      3     -21.5701      1.00000
      4     -21.5371      1.00000
      5     -21.2072      1.00000
      6     -21.1622      1.00000
      7     -20.9866      1.00000
      8     -20.1013      1.00000
      9     -20.0570      1.00000
     10     -19.5457      1.00000
     11     -19.5209      1.00000
     12     -19.3487      1.00000
     13     -19.0244      1.00000
     14     -18.9888      1.00000
     15     -18.9810      1.00000
     16     -18.9685      1.00000
     17     -18.2969      1.00000
     18     -18.2774      1.00000
     19     -17.9517      1.00000
     20     -17.0095      1.00000
     21     -16.9592      1.00000
     22     -16.8784      1.00000
     23     -16.8679      1.00000
     24     -16.4043      1.00000
     25     -16.3892      1.00000
     26     -15.5512      1.00000
     27     -15.5353      1.00000
     28     -15.1973      1.00000
     29     -15.1687      1.00000
     30     -15.1144      1.00000
     31     -15.0273      1.00000
     32     -15.0025      1.00000
     33     -14.6356      1.00000
     34     -14.6238      1.00000
     35     -13.6669      1.00000
     36     -13.6514      1.00000
     37     -13.1695      1.00000
     38     -12.5509      1.00000
     39     -12.5174      1.00000
     40     -12.3907      1.00000
     41     -12.3776      1.00000
     42     -12.0571      1.00000
     43     -12.0339      1.00000
     44     -11.6587      1.00000
     45     -11.6162      1.00000
     46     -11.1803      1.00000
     47     -11.1565      1.00000
     48     -10.9649      1.00000
     49     -10.9406      1.00000
     50     -10.8733      1.00000
     51     -10.8366      1.00000
     52     -10.6028      1.00000
     53     -10.0934      1.00000
     54     -10.0889      1.00000
     55     -10.0466      1.00000
     56      -9.9706      1.00000
     57      -9.6540      1.00000
     58      -9.6293      1.00000
     59      -9.5914      1.00000
     60      -9.5294      1.00000
     61      -9.5099      1.00000
     62      -9.4785      1.00000
     63      -9.2645      1.00000
     64      -9.2414      1.00000
     65      -9.2204      1.00000
     66      -9.1652      1.00000
     67      -9.0681      1.00000
     68      -9.0472      1.00000
     69      -9.0400      1.00000
     70      -8.8824      1.00000
     71      -8.8053      1.00000
     72      -8.5784      1.00000
     73      -8.5222      1.00000
     74      -8.4611      1.00000
     75      -8.0353      1.00000
     76      -7.8119      1.00000
     77      -7.8068      1.00000
     78      -7.7919      1.00000
     79      -7.6998      1.00000
     80      -7.6906      1.00000
     81      -7.3644      1.00000
     82      -7.2738      1.00000
     83      -7.2637      1.00000
     84      -7.2160      1.00000
     85      -7.1726      1.00000
     86      -7.0084      1.00000
     87      -6.9466      1.00000
     88      -6.7471      1.00000
     89      -6.6720      1.00000
     90      -6.5938      1.00000
     91      -6.5590      1.00000
     92      -6.0506      1.00000
     93      -6.0474      1.00000
     94      -6.0216      1.00000
     95      -5.9580      1.00000
     96      -5.7363      1.00000
     97      -5.1579      1.00000
     98      -4.9906      1.00000
     99      -4.7189      1.00000
    100      -4.6106      1.00000
    101      -4.4401      1.00000
    102      -4.3739      1.00000
    103      -4.1224      1.00000
    104      -3.8683      1.00000
    105      -3.8352      1.00000
    106      -3.7903      1.00000
    107      -1.7850      0.00000
    108      -1.7382      0.00000
    109      -1.3944      0.00000
    110      -1.3457      0.00000
    111      -1.2639      0.00000
    112      -1.2258      0.00000
    113      -0.7446      0.00000
    114      -0.3788      0.00000
    115      -0.2195      0.00000
    116      -0.0178      0.00000
    117       0.5910      0.00000
    118       0.7368      0.00000
    119       0.7640      0.00000
    120       1.0499      0.00000
    121       1.1416      0.00000
    122       1.2509      0.00000
    123       1.2723      0.00000
    124       1.4144      0.00000
    125       1.4795      0.00000
    126       1.5862      0.00000
    127       1.7576      0.00000
    128       1.8404      0.00000
    129       1.8966      0.00000
    130       1.9595      0.00000
    131       2.1076      0.00000
    132       2.2356      0.00000
    133       2.2494      0.00000
    134       2.2959      0.00000
    135       2.4877      0.00000
    136       2.6140      0.00000
    137       2.6378      0.00000
    138       2.7668      0.00000
    139       2.7969      0.00000
    140       2.8565      0.00000
    141       2.8668      0.00000
    142       2.8925      0.00000
    143       2.9594      0.00000
    144       3.0820      0.00000
    145       3.2806      0.00000
    146       3.3063      0.00000
    147       3.3744      0.00000
    148       3.4082      0.00000
    149       3.4658      0.00000
    150       3.5854      0.00000
    151       3.6366      0.00000
    152       3.6685      0.00000
    153       3.7060      0.00000
    154       3.9054      0.00000
    155       3.9415      0.00000
    156       3.9817      0.00000
    157       4.0845      0.00000
    158       4.2034      0.00000
    159       4.2423      0.00000
    160       4.2971      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2137      1.00000
      2     -22.0073      1.00000
      3     -21.6487      1.00000
      4     -21.6115      1.00000
      5     -20.9125      1.00000
      6     -20.8660      1.00000
      7     -20.5453      1.00000
      8     -20.5058      1.00000
      9     -20.4953      1.00000
     10     -19.9631      1.00000
     11     -19.4419      1.00000
     12     -19.4146      1.00000
     13     -19.2411      1.00000
     14     -19.2265      1.00000
     15     -18.3839      1.00000
     16     -18.3394      1.00000
     17     -17.8597      1.00000
     18     -17.8383      1.00000
     19     -17.6977      1.00000
     20     -17.6549      1.00000
     21     -17.3718      1.00000
     22     -17.3554      1.00000
     23     -17.2742      1.00000
     24     -16.4007      1.00000
     25     -16.3858      1.00000
     26     -15.8962      1.00000
     27     -15.3519      1.00000
     28     -15.3367      1.00000
     29     -15.0341      1.00000
     30     -15.0204      1.00000
     31     -14.7994      1.00000
     32     -14.7745      1.00000
     33     -14.2217      1.00000
     34     -14.1896      1.00000
     35     -13.3709      1.00000
     36     -13.3370      1.00000
     37     -13.1195      1.00000
     38     -13.1019      1.00000
     39     -12.9159      1.00000
     40     -12.9024      1.00000
     41     -12.5565      1.00000
     42     -12.5383      1.00000
     43     -12.1332      1.00000
     44     -11.5216      1.00000
     45     -11.4731      1.00000
     46     -11.2533      1.00000
     47     -11.2191      1.00000
     48     -11.0796      1.00000
     49     -10.6601      1.00000
     50     -10.5884      1.00000
     51     -10.5237      1.00000
     52     -10.2582      1.00000
     53     -10.2483      1.00000
     54     -10.1227      1.00000
     55     -10.0483      1.00000
     56     -10.0405      1.00000
     57      -9.7700      1.00000
     58      -9.7059      1.00000
     59      -9.6793      1.00000
     60      -9.6296      1.00000
     61      -9.6267      1.00000
     62      -9.5873      1.00000
     63      -9.2945      1.00000
     64      -9.2854      1.00000
     65      -9.2525      1.00000
     66      -9.0891      1.00000
     67      -8.8974      1.00000
     68      -8.8826      1.00000
     69      -8.7245      1.00000
     70      -8.5896      1.00000
     71      -8.5134      1.00000
     72      -8.3306      1.00000
     73      -8.3024      1.00000
     74      -8.2643      1.00000
     75      -8.2324      1.00000
     76      -8.1947      1.00000
     77      -8.1854      1.00000
     78      -8.1701      1.00000
     79      -8.1023      1.00000
     80      -7.6884      1.00000
     81      -7.3574      1.00000
     82      -7.3101      1.00000
     83      -7.2644      1.00000
     84      -7.1878      1.00000
     85      -7.1252      1.00000
     86      -7.0766      1.00000
     87      -6.9067      1.00000
     88      -6.8822      1.00000
     89      -6.5487      1.00000
     90      -6.4927      1.00000
     91      -6.2093      1.00000
     92      -6.0702      1.00000
     93      -5.9422      1.00000
     94      -5.7157      1.00000
     95      -5.6330      1.00000
     96      -5.4525      1.00000
     97      -5.3052      1.00000
     98      -5.2340      1.00000
     99      -5.1520      1.00000
    100      -5.1512      1.00000
    101      -4.5236      1.00000
    102      -4.4709      1.00000
    103      -4.1440      1.00000
    104      -3.8383      1.00000
    105      -3.7572      1.00000
    106      -3.6792      1.00000
    107      -1.8708      0.00000
    108      -1.8237      0.00000
    109      -1.2769      0.00000
    110      -1.0356      0.00000
    111      -1.0116      0.00000
    112      -0.7120      0.00000
    113      -0.6394      0.00000
    114      -0.5880      0.00000
    115      -0.5459      0.00000
    116      -0.2012      0.00000
    117       0.2527      0.00000
    118       0.2788      0.00000
    119       0.7611      0.00000
    120       0.9461      0.00000
    121       1.1327      0.00000
    122       1.2262      0.00000
    123       1.3208      0.00000
    124       1.4132      0.00000
    125       1.6010      0.00000
    126       1.6340      0.00000
    127       1.7009      0.00000
    128       1.8250      0.00000
    129       1.9198      0.00000
    130       2.0118      0.00000
    131       2.1075      0.00000
    132       2.3298      0.00000
    133       2.3959      0.00000
    134       2.4328      0.00000
    135       2.5417      0.00000
    136       2.6343      0.00000
    137       2.7558      0.00000
    138       2.8211      0.00000
    139       2.8328      0.00000
    140       2.8870      0.00000
    141       3.0410      0.00000
    142       3.0897      0.00000
    143       3.1866      0.00000
    144       3.2392      0.00000
    145       3.3869      0.00000
    146       3.4221      0.00000
    147       3.4802      0.00000
    148       3.5730      0.00000
    149       3.6002      0.00000
    150       3.6277      0.00000
    151       3.6513      0.00000
    152       3.7425      0.00000
    153       3.7719      0.00000
    154       3.7870      0.00000
    155       3.8067      0.00000
    156       3.8965      0.00000
    157       3.9763      0.00000
    158       4.0093      0.00000
    159       4.1753      0.00000
    160       4.2388      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2475      1.00000
      2     -21.8931      1.00000
      3     -21.8224      1.00000
      4     -21.3111      1.00000
      5     -21.2808      1.00000
      6     -20.7700      1.00000
      7     -20.7041      1.00000
      8     -20.5557      1.00000
      9     -20.0081      1.00000
     10     -20.0007      1.00000
     11     -19.6474      1.00000
     12     -19.6230      1.00000
     13     -18.9288      1.00000
     14     -18.9204      1.00000
     15     -18.5698      1.00000
     16     -18.5558      1.00000
     17     -18.3935      1.00000
     18     -17.6148      1.00000
     19     -17.5583      1.00000
     20     -17.5533      1.00000
     21     -17.5118      1.00000
     22     -17.0552      1.00000
     23     -17.0374      1.00000
     24     -16.8904      1.00000
     25     -15.9287      1.00000
     26     -15.8667      1.00000
     27     -15.5160      1.00000
     28     -15.5150      1.00000
     29     -15.2281      1.00000
     30     -14.7940      1.00000
     31     -14.7665      1.00000
     32     -14.5151      1.00000
     33     -14.4710      1.00000
     34     -14.1008      1.00000
     35     -14.0898      1.00000
     36     -13.0756      1.00000
     37     -13.0327      1.00000
     38     -12.9667      1.00000
     39     -12.9546      1.00000
     40     -12.6451      1.00000
     41     -12.6385      1.00000
     42     -12.2733      1.00000
     43     -12.2419      1.00000
     44     -11.5871      1.00000
     45     -11.5597      1.00000
     46     -11.5056      1.00000
     47     -10.9043      1.00000
     48     -10.8502      1.00000
     49     -10.6218      1.00000
     50     -10.5590      1.00000
     51     -10.4850      1.00000
     52     -10.4327      1.00000
     53     -10.4229      1.00000
     54     -10.3707      1.00000
     55     -10.2940      1.00000
     56     -10.0652      1.00000
     57      -9.8327      1.00000
     58      -9.5487      1.00000
     59      -9.4887      1.00000
     60      -9.4718      1.00000
     61      -9.3453      1.00000
     62      -9.3300      1.00000
     63      -9.3104      1.00000
     64      -9.3082      1.00000
     65      -9.2139      1.00000
     66      -9.1114      1.00000
     67      -9.0798      1.00000
     68      -9.0488      1.00000
     69      -8.8484      1.00000
     70      -8.7920      1.00000
     71      -8.7731      1.00000
     72      -8.5267      1.00000
     73      -8.4756      1.00000
     74      -8.2229      1.00000
     75      -8.1095      1.00000
     76      -8.0985      1.00000
     77      -7.8077      1.00000
     78      -7.7843      1.00000
     79      -7.7820      1.00000
     80      -7.6732      1.00000
     81      -7.6314      1.00000
     82      -7.6302      1.00000
     83      -7.4006      1.00000
     84      -7.3245      1.00000
     85      -7.2001      1.00000
     86      -6.8390      1.00000
     87      -6.8286      1.00000
     88      -6.6626      1.00000
     89      -6.5381      1.00000
     90      -6.3449      1.00000
     91      -6.3074      1.00000
     92      -6.1836      1.00000
     93      -6.1468      1.00000
     94      -5.9773      1.00000
     95      -5.5725      1.00000
     96      -5.4260      1.00000
     97      -5.2586      1.00000
     98      -5.2520      1.00000
     99      -5.1490      1.00000
    100      -4.6955      1.00000
    101      -4.6649      1.00000
    102      -4.3489      1.00000
    103      -4.3166      1.00000
    104      -3.9652      1.00000
    105      -3.8318      1.00000
    106      -3.3889      1.00000
    107      -2.2200      0.00000
    108      -1.3766      0.00000
    109      -1.2861      0.00000
    110      -1.1730      0.00000
    111      -1.0775      0.00000
    112      -0.8937      0.00000
    113      -0.7678      0.00000
    114      -0.7571      0.00000
    115      -0.2168      0.00000
    116       0.1141      0.00000
    117       0.2642      0.00000
    118       0.3461      0.00000
    119       0.7348      0.00000
    120       0.9036      0.00000
    121       0.9719      0.00000
    122       1.0950      0.00000
    123       1.2095      0.00000
    124       1.5298      0.00000
    125       1.5626      0.00000
    126       1.7163      0.00000
    127       1.8388      0.00000
    128       1.8624      0.00000
    129       1.9699      0.00000
    130       1.9984      0.00000
    131       2.1597      0.00000
    132       2.2681      0.00000
    133       2.4559      0.00000
    134       2.4679      0.00000
    135       2.5077      0.00000
    136       2.6666      0.00000
    137       2.6870      0.00000
    138       2.7326      0.00000
    139       2.7433      0.00000
    140       2.8924      0.00000
    141       3.0227      0.00000
    142       3.0812      0.00000
    143       3.1939      0.00000
    144       3.2547      0.00000
    145       3.2582      0.00000
    146       3.2696      0.00000
    147       3.3587      0.00000
    148       3.4817      0.00000
    149       3.5289      0.00000
    150       3.6975      0.00000
    151       3.7560      0.00000
    152       3.7705      0.00000
    153       3.8350      0.00000
    154       3.8787      0.00000
    155       3.9421      0.00000
    156       3.9835      0.00000
    157       4.0232      0.00000
    158       4.0491      0.00000
    159       4.0560      0.00000
    160       4.0986      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1415      1.00000
      2     -22.0462      1.00000
      3     -21.8861      1.00000
      4     -21.3341      1.00000
      5     -20.9813      1.00000
      6     -20.9427      1.00000
      7     -20.4329      1.00000
      8     -20.3901      1.00000
      9     -20.2261      1.00000
     10     -20.2047      1.00000
     11     -19.8885      1.00000
     12     -19.8209      1.00000
     13     -18.8143      1.00000
     14     -18.7432      1.00000
     15     -18.2897      1.00000
     16     -18.2361      1.00000
     17     -18.0855      1.00000
     18     -18.0652      1.00000
     19     -17.7612      1.00000
     20     -17.7187      1.00000
     21     -17.1887      1.00000
     22     -17.1691      1.00000
     23     -17.0995      1.00000
     24     -17.0632      1.00000
     25     -16.0375      1.00000
     26     -15.8224      1.00000
     27     -15.7992      1.00000
     28     -15.7640      1.00000
     29     -15.1735      1.00000
     30     -14.4906      1.00000
     31     -14.4578      1.00000
     32     -14.2176      1.00000
     33     -13.8951      1.00000
     34     -13.8899      1.00000
     35     -13.7558      1.00000
     36     -13.7354      1.00000
     37     -13.5514      1.00000
     38     -13.5026      1.00000
     39     -13.2996      1.00000
     40     -12.5640      1.00000
     41     -12.1250      1.00000
     42     -12.0656      1.00000
     43     -12.0095      1.00000
     44     -11.9510      1.00000
     45     -11.6110      1.00000
     46     -11.5880      1.00000
     47     -11.0849      1.00000
     48     -11.0514      1.00000
     49     -10.7530      1.00000
     50     -10.6633      1.00000
     51     -10.5271      1.00000
     52     -10.1492      1.00000
     53     -10.1377      1.00000
     54     -10.0956      1.00000
     55      -9.9528      1.00000
     56      -9.9477      1.00000
     57      -9.9167      1.00000
     58      -9.7371      1.00000
     59      -9.7317      1.00000
     60      -9.7002      1.00000
     61      -9.6907      1.00000
     62      -9.4296      1.00000
     63      -9.3624      1.00000
     64      -9.0869      1.00000
     65      -9.0069      1.00000
     66      -8.9741      1.00000
     67      -8.8874      1.00000
     68      -8.8110      1.00000
     69      -8.6582      1.00000
     70      -8.6352      1.00000
     71      -8.5788      1.00000
     72      -8.4776      1.00000
     73      -8.4669      1.00000
     74      -8.3980      1.00000
     75      -8.3939      1.00000
     76      -8.1834      1.00000
     77      -8.1144      1.00000
     78      -7.9769      1.00000
     79      -7.9155      1.00000
     80      -7.8468      1.00000
     81      -7.6179      1.00000
     82      -7.5296      1.00000
     83      -7.4687      1.00000
     84      -7.2570      1.00000
     85      -6.9349      1.00000
     86      -6.8577      1.00000
     87      -6.8111      1.00000
     88      -6.5751      1.00000
     89      -6.4665      1.00000
     90      -6.4199      1.00000
     91      -6.3562      1.00000
     92      -6.0526      1.00000
     93      -5.8780      1.00000
     94      -5.7528      1.00000
     95      -5.7215      1.00000
     96      -5.4774      1.00000
     97      -5.3464      1.00000
     98      -5.1801      1.00000
     99      -5.1560      1.00000
    100      -5.1543      1.00000
    101      -4.7076      1.00000
    102      -4.4411      1.00000
    103      -4.2565      1.00000
    104      -3.9969      1.00000
    105      -3.8307      1.00000
    106      -3.1555      1.00000
    107      -2.4628      0.00000
    108      -1.3786      0.00000
    109      -1.2409      0.00000
    110      -1.1459      0.00000
    111      -1.1142      0.00000
    112      -0.5631      0.00000
    113      -0.4344      0.00000
    114      -0.4294      0.00000
    115      -0.3097      0.00000
    116      -0.1897      0.00000
    117       0.0620      0.00000
    118       0.1175      0.00000
    119       0.5406      0.00000
    120       0.6843      0.00000
    121       0.8718      0.00000
    122       0.9687      0.00000
    123       1.1118      0.00000
    124       1.4960      0.00000
    125       1.6627      0.00000
    126       1.8023      0.00000
    127       1.8765      0.00000
    128       2.0929      0.00000
    129       2.1386      0.00000
    130       2.1971      0.00000
    131       2.2154      0.00000
    132       2.3403      0.00000
    133       2.3623      0.00000
    134       2.4885      0.00000
    135       2.5815      0.00000
    136       2.6688      0.00000
    137       2.8790      0.00000
    138       2.9378      0.00000
    139       2.9661      0.00000
    140       2.9903      0.00000
    141       3.0401      0.00000
    142       3.1504      0.00000
    143       3.1815      0.00000
    144       3.2443      0.00000
    145       3.2904      0.00000
    146       3.3323      0.00000
    147       3.3499      0.00000
    148       3.3799      0.00000
    149       3.4119      0.00000
    150       3.4959      0.00000
    151       3.5528      0.00000
    152       3.6325      0.00000
    153       3.6947      0.00000
    154       3.7096      0.00000
    155       3.7257      0.00000
    156       3.9203      0.00000
    157       3.9347      0.00000
    158       4.0586      0.00000
    159       4.0889      0.00000
    160       4.2008      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2473      1.00000
      2     -21.8946      1.00000
      3     -21.8210      1.00000
      4     -21.3158      1.00000
      5     -21.2768      1.00000
      6     -20.7709      1.00000
      7     -20.7020      1.00000
      8     -20.5539      1.00000
      9     -20.0224      1.00000
     10     -19.9899      1.00000
     11     -19.6498      1.00000
     12     -19.6186      1.00000
     13     -18.9430      1.00000
     14     -18.9081      1.00000
     15     -18.5837      1.00000
     16     -18.5461      1.00000
     17     -18.3915      1.00000
     18     -17.6016      1.00000
     19     -17.5698      1.00000
     20     -17.5406      1.00000
     21     -17.5078      1.00000
     22     -17.0741      1.00000
     23     -17.0270      1.00000
     24     -16.8999      1.00000
     25     -15.9452      1.00000
     26     -15.8507      1.00000
     27     -15.5327      1.00000
     28     -15.5061      1.00000
     29     -15.2088      1.00000
     30     -14.8135      1.00000
     31     -14.7609      1.00000
     32     -14.5089      1.00000
     33     -14.4672      1.00000
     34     -14.0960      1.00000
     35     -14.0928      1.00000
     36     -13.1045      1.00000
     37     -13.0290      1.00000
     38     -12.9560      1.00000
     39     -12.9490      1.00000
     40     -12.6553      1.00000
     41     -12.6267      1.00000
     42     -12.2737      1.00000
     43     -12.2469      1.00000
     44     -11.5731      1.00000
     45     -11.5533      1.00000
     46     -11.5002      1.00000
     47     -10.8776      1.00000
     48     -10.8693      1.00000
     49     -10.6832      1.00000
     50     -10.5243      1.00000
     51     -10.5205      1.00000
     52     -10.4335      1.00000
     53     -10.4152      1.00000
     54     -10.3696      1.00000
     55     -10.2870      1.00000
     56     -10.0608      1.00000
     57      -9.8315      1.00000
     58      -9.5585      1.00000
     59      -9.4838      1.00000
     60      -9.4447      1.00000
     61      -9.3562      1.00000
     62      -9.3382      1.00000
     63      -9.3069      1.00000
     64      -9.3018      1.00000
     65      -9.2057      1.00000
     66      -9.0993      1.00000
     67      -9.0682      1.00000
     68      -9.0489      1.00000
     69      -8.8516      1.00000
     70      -8.7972      1.00000
     71      -8.7773      1.00000
     72      -8.5265      1.00000
     73      -8.4972      1.00000
     74      -8.2279      1.00000
     75      -8.1297      1.00000
     76      -8.0923      1.00000
     77      -7.8064      1.00000
     78      -7.7668      1.00000
     79      -7.7388      1.00000
     80      -7.7032      1.00000
     81      -7.6346      1.00000
     82      -7.6247      1.00000
     83      -7.3879      1.00000
     84      -7.3441      1.00000
     85      -7.2197      1.00000
     86      -6.8433      1.00000
     87      -6.8204      1.00000
     88      -6.6401      1.00000
     89      -6.5293      1.00000
     90      -6.3406      1.00000
     91      -6.2729      1.00000
     92      -6.1953      1.00000
     93      -6.1318      1.00000
     94      -6.0212      1.00000
     95      -5.6380      1.00000
     96      -5.5086      1.00000
     97      -5.2974      1.00000
     98      -5.1557      1.00000
     99      -5.0403      1.00000
    100      -4.7268      1.00000
    101      -4.6855      1.00000
    102      -4.3679      1.00000
    103      -4.1859      1.00000
    104      -4.0100      1.00000
    105      -3.8302      1.00000
    106      -3.4837      1.00000
    107      -2.1639      0.00000
    108      -1.3831      0.00000
    109      -1.2354      0.00000
    110      -1.1844      0.00000
    111      -1.0139      0.00000
    112      -0.9554      0.00000
    113      -0.7971      0.00000
    114      -0.7517      0.00000
    115      -0.3645      0.00000
    116       0.2452      0.00000
    117       0.2767      0.00000
    118       0.3649      0.00000
    119       0.7008      0.00000
    120       0.8692      0.00000
    121       0.9659      0.00000
    122       1.1273      0.00000
    123       1.2363      0.00000
    124       1.4565      0.00000
    125       1.5555      0.00000
    126       1.7826      0.00000
    127       1.8515      0.00000
    128       1.8836      0.00000
    129       1.9859      0.00000
    130       2.0316      0.00000
    131       2.1980      0.00000
    132       2.2120      0.00000
    133       2.4025      0.00000
    134       2.4529      0.00000
    135       2.5547      0.00000
    136       2.6584      0.00000
    137       2.6850      0.00000
    138       2.7286      0.00000
    139       2.7672      0.00000
    140       2.8548      0.00000
    141       2.9659      0.00000
    142       3.0808      0.00000
    143       3.1902      0.00000
    144       3.2408      0.00000
    145       3.2567      0.00000
    146       3.2946      0.00000
    147       3.3303      0.00000
    148       3.4818      0.00000
    149       3.5092      0.00000
    150       3.7129      0.00000
    151       3.7229      0.00000
    152       3.7707      0.00000
    153       3.8616      0.00000
    154       3.8753      0.00000
    155       3.8982      0.00000
    156       3.9977      0.00000
    157       3.9990      0.00000
    158       4.0507      0.00000
    159       4.0651      0.00000
    160       4.1026      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3192      1.00000
      2     -21.7611      1.00000
      3     -21.5674      1.00000
      4     -21.5401      1.00000
      5     -21.2046      1.00000
      6     -21.1656      1.00000
      7     -20.9851      1.00000
      8     -20.0982      1.00000
      9     -20.0592      1.00000
     10     -19.5460      1.00000
     11     -19.5259      1.00000
     12     -19.3441      1.00000
     13     -19.0277      1.00000
     14     -18.9877      1.00000
     15     -18.9771      1.00000
     16     -18.9713      1.00000
     17     -18.2956      1.00000
     18     -18.2821      1.00000
     19     -17.9455      1.00000
     20     -16.9999      1.00000
     21     -16.9588      1.00000
     22     -16.8822      1.00000
     23     -16.8694      1.00000
     24     -16.4161      1.00000
     25     -16.3932      1.00000
     26     -15.5407      1.00000
     27     -15.5372      1.00000
     28     -15.1723      1.00000
     29     -15.1707      1.00000
     30     -15.1303      1.00000
     31     -15.0357      1.00000
     32     -15.0004      1.00000
     33     -14.6333      1.00000
     34     -14.6262      1.00000
     35     -13.6627      1.00000
     36     -13.6526      1.00000
     37     -13.1702      1.00000
     38     -12.5727      1.00000
     39     -12.5127      1.00000
     40     -12.3850      1.00000
     41     -12.3845      1.00000
     42     -12.0351      1.00000
     43     -12.0309      1.00000
     44     -11.6553      1.00000
     45     -11.6148      1.00000
     46     -11.2066      1.00000
     47     -11.1571      1.00000
     48     -10.9547      1.00000
     49     -10.9415      1.00000
     50     -10.8605      1.00000
     51     -10.8280      1.00000
     52     -10.6258      1.00000
     53     -10.1468      1.00000
     54     -10.0837      1.00000
     55     -10.0243      1.00000
     56      -9.9459      1.00000
     57      -9.6307      1.00000
     58      -9.6291      1.00000
     59      -9.6028      1.00000
     60      -9.5409      1.00000
     61      -9.5030      1.00000
     62      -9.4785      1.00000
     63      -9.2727      1.00000
     64      -9.2345      1.00000
     65      -9.2064      1.00000
     66      -9.1801      1.00000
     67      -9.0619      1.00000
     68      -9.0463      1.00000
     69      -9.0426      1.00000
     70      -8.8766      1.00000
     71      -8.8092      1.00000
     72      -8.5368      1.00000
     73      -8.5332      1.00000
     74      -8.5021      1.00000
     75      -8.0302      1.00000
     76      -7.8327      1.00000
     77      -7.8005      1.00000
     78      -7.7737      1.00000
     79      -7.7023      1.00000
     80      -7.6838      1.00000
     81      -7.4142      1.00000
     82      -7.2869      1.00000
     83      -7.2507      1.00000
     84      -7.2031      1.00000
     85      -7.0820      1.00000
     86      -7.0751      1.00000
     87      -6.9385      1.00000
     88      -6.7115      1.00000
     89      -6.6743      1.00000
     90      -6.6288      1.00000
     91      -6.5568      1.00000
     92      -6.0713      1.00000
     93      -6.0310      1.00000
     94      -6.0017      1.00000
     95      -5.9371      1.00000
     96      -5.8006      1.00000
     97      -5.1828      1.00000
     98      -4.8960      1.00000
     99      -4.7939      1.00000
    100      -4.6104      1.00000
    101      -4.5123      1.00000
    102      -4.1406      1.00000
    103      -4.0918      1.00000
    104      -3.9307      1.00000
    105      -3.9168      1.00000
    106      -3.8292      1.00000
    107      -1.7515      0.00000
    108      -1.6954      0.00000
    109      -1.4101      0.00000
    110      -1.3706      0.00000
    111      -1.2641      0.00000
    112      -1.2356      0.00000
    113      -0.6228      0.00000
    114      -0.5977      0.00000
    115      -0.1902      0.00000
    116       0.0431      0.00000
    117       0.5845      0.00000
    118       0.7405      0.00000
    119       0.8500      0.00000
    120       0.9288      0.00000
    121       1.1678      0.00000
    122       1.2114      0.00000
    123       1.2476      0.00000
    124       1.4196      0.00000
    125       1.5995      0.00000
    126       1.6392      0.00000
    127       1.7049      0.00000
    128       1.8059      0.00000
    129       1.9229      0.00000
    130       1.9402      0.00000
    131       2.1500      0.00000
    132       2.1730      0.00000
    133       2.2614      0.00000
    134       2.3004      0.00000
    135       2.5426      0.00000
    136       2.5590      0.00000
    137       2.6348      0.00000
    138       2.7610      0.00000
    139       2.8083      0.00000
    140       2.8471      0.00000
    141       2.8937      0.00000
    142       2.9440      0.00000
    143       3.0147      0.00000
    144       3.0274      0.00000
    145       3.0866      0.00000
    146       3.3128      0.00000
    147       3.3706      0.00000
    148       3.4178      0.00000
    149       3.4782      0.00000
    150       3.6007      0.00000
    151       3.6563      0.00000
    152       3.6645      0.00000
    153       3.6790      0.00000
    154       3.8917      0.00000
    155       3.9785      0.00000
    156       4.0264      0.00000
    157       4.0732      0.00000
    158       4.2341      0.00000
    159       4.2552      0.00000
    160       4.2684      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1406      1.00000
      2     -22.0476      1.00000
      3     -21.8856      1.00000
      4     -21.3351      1.00000
      5     -20.9763      1.00000
      6     -20.9467      1.00000
      7     -20.4276      1.00000
      8     -20.3955      1.00000
      9     -20.2154      1.00000
     10     -20.2136      1.00000
     11     -19.8875      1.00000
     12     -19.8237      1.00000
     13     -18.8176      1.00000
     14     -18.7467      1.00000
     15     -18.2652      1.00000
     16     -18.2511      1.00000
     17     -18.0798      1.00000
     18     -18.0733      1.00000
     19     -17.7454      1.00000
     20     -17.7295      1.00000
     21     -17.1948      1.00000
     22     -17.1713      1.00000
     23     -17.0879      1.00000
     24     -17.0680      1.00000
     25     -16.0534      1.00000
     26     -15.8082      1.00000
     27     -15.7987      1.00000
     28     -15.7778      1.00000
     29     -15.1585      1.00000
     30     -14.4857      1.00000
     31     -14.4642      1.00000
     32     -14.2036      1.00000
     33     -13.9159      1.00000
     34     -13.8860      1.00000
     35     -13.7586      1.00000
     36     -13.7384      1.00000
     37     -13.5361      1.00000
     38     -13.5100      1.00000
     39     -13.3009      1.00000
     40     -12.5762      1.00000
     41     -12.1011      1.00000
     42     -12.0769      1.00000
     43     -11.9985      1.00000
     44     -11.9508      1.00000
     45     -11.6050      1.00000
     46     -11.5972      1.00000
     47     -11.0848      1.00000
     48     -11.0613      1.00000
     49     -10.7327      1.00000
     50     -10.6649      1.00000
     51     -10.5607      1.00000
     52     -10.1391      1.00000
     53     -10.1344      1.00000
     54     -10.1003      1.00000
     55      -9.9659      1.00000
     56      -9.9248      1.00000
     57      -9.9208      1.00000
     58      -9.7507      1.00000
     59      -9.7283      1.00000
     60      -9.6972      1.00000
     61      -9.6947      1.00000
     62      -9.4013      1.00000
     63      -9.3898      1.00000
     64      -9.0690      1.00000
     65      -8.9820      1.00000
     66      -8.9808      1.00000
     67      -8.9063      1.00000
     68      -8.8117      1.00000
     69      -8.6492      1.00000
     70      -8.6331      1.00000
     71      -8.5488      1.00000
     72      -8.5027      1.00000
     73      -8.4831      1.00000
     74      -8.3941      1.00000
     75      -8.3820      1.00000
     76      -8.2097      1.00000
     77      -8.1022      1.00000
     78      -8.0069      1.00000
     79      -7.9016      1.00000
     80      -7.8430      1.00000
     81      -7.6217      1.00000
     82      -7.5325      1.00000
     83      -7.4576      1.00000
     84      -7.2538      1.00000
     85      -6.9424      1.00000
     86      -6.8683      1.00000
     87      -6.8090      1.00000
     88      -6.4780      1.00000
     89      -6.4692      1.00000
     90      -6.4095      1.00000
     91      -6.3599      1.00000
     92      -6.1925      1.00000
     93      -5.8577      1.00000
     94      -5.7373      1.00000
     95      -5.7110      1.00000
     96      -5.5244      1.00000
     97      -5.3291      1.00000
     98      -5.1719      1.00000
     99      -5.1673      1.00000
    100      -5.1338      1.00000
    101      -4.6962      1.00000
    102      -4.3483      1.00000
    103      -4.2817      1.00000
    104      -4.0304      1.00000
    105      -3.8317      1.00000
    106      -3.2329      1.00000
    107      -2.4045      0.00000
    108      -1.3450      0.00000
    109      -1.2432      0.00000
    110      -1.1529      0.00000
    111      -1.1083      0.00000
    112      -0.5821      0.00000
    113      -0.5213      0.00000
    114      -0.4336      0.00000
    115      -0.2750      0.00000
    116      -0.0696      0.00000
    117      -0.0103      0.00000
    118       0.0602      0.00000
    119       0.5831      0.00000
    120       0.7109      0.00000
    121       0.8102      0.00000
    122       0.9450      0.00000
    123       1.1838      0.00000
    124       1.5098      0.00000
    125       1.6213      0.00000
    126       1.8590      0.00000
    127       2.0040      0.00000
    128       2.0513      0.00000
    129       2.1125      0.00000
    130       2.1524      0.00000
    131       2.2635      0.00000
    132       2.2859      0.00000
    133       2.3483      0.00000
    134       2.4630      0.00000
    135       2.6110      0.00000
    136       2.7009      0.00000
    137       2.8186      0.00000
    138       2.9154      0.00000
    139       2.9429      0.00000
    140       3.0131      0.00000
    141       3.0472      0.00000
    142       3.1569      0.00000
    143       3.1635      0.00000
    144       3.2234      0.00000
    145       3.2989      0.00000
    146       3.3109      0.00000
    147       3.3536      0.00000
    148       3.3733      0.00000
    149       3.4163      0.00000
    150       3.4478      0.00000
    151       3.5617      0.00000
    152       3.6124      0.00000
    153       3.7020      0.00000
    154       3.7258      0.00000
    155       3.8475      0.00000
    156       3.9046      0.00000
    157       3.9316      0.00000
    158       3.9603      0.00000
    159       4.1464      0.00000
    160       4.1812      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2132      1.00000
      2     -22.0080      1.00000
      3     -21.6461      1.00000
      4     -21.6147      1.00000
      5     -20.9096      1.00000
      6     -20.8688      1.00000
      7     -20.5389      1.00000
      8     -20.5062      1.00000
      9     -20.4994      1.00000
     10     -19.9619      1.00000
     11     -19.4408      1.00000
     12     -19.4188      1.00000
     13     -19.2399      1.00000
     14     -19.2327      1.00000
     15     -18.3757      1.00000
     16     -18.3406      1.00000
     17     -17.8587      1.00000
     18     -17.8426      1.00000
     19     -17.6909      1.00000
     20     -17.6549      1.00000
     21     -17.3721      1.00000
     22     -17.3578      1.00000
     23     -17.2665      1.00000
     24     -16.4137      1.00000
     25     -16.3900      1.00000
     26     -15.9043      1.00000
     27     -15.3436      1.00000
     28     -15.3386      1.00000
     29     -15.0312      1.00000
     30     -15.0213      1.00000
     31     -14.7759      1.00000
     32     -14.7736      1.00000
     33     -14.2372      1.00000
     34     -14.1865      1.00000
     35     -13.3873      1.00000
     36     -13.3329      1.00000
     37     -13.1111      1.00000
     38     -13.1029      1.00000
     39     -12.9176      1.00000
     40     -12.9118      1.00000
     41     -12.5454      1.00000
     42     -12.5375      1.00000
     43     -12.1328      1.00000
     44     -11.5143      1.00000
     45     -11.4696      1.00000
     46     -11.2451      1.00000
     47     -11.2133      1.00000
     48     -11.0859      1.00000
     49     -10.7073      1.00000
     50     -10.5958      1.00000
     51     -10.5095      1.00000
     52     -10.2509      1.00000
     53     -10.2467      1.00000
     54     -10.1220      1.00000
     55     -10.0545      1.00000
     56     -10.0387      1.00000
     57      -9.7851      1.00000
     58      -9.6865      1.00000
     59      -9.6729      1.00000
     60      -9.6370      1.00000
     61      -9.6273      1.00000
     62      -9.5854      1.00000
     63      -9.2953      1.00000
     64      -9.2830      1.00000
     65      -9.2537      1.00000
     66      -9.0661      1.00000
     67      -8.8945      1.00000
     68      -8.8832      1.00000
     69      -8.7182      1.00000
     70      -8.5823      1.00000
     71      -8.5267      1.00000
     72      -8.3509      1.00000
     73      -8.3049      1.00000
     74      -8.2433      1.00000
     75      -8.2377      1.00000
     76      -8.1947      1.00000
     77      -8.1812      1.00000
     78      -8.1698      1.00000
     79      -8.1089      1.00000
     80      -7.6897      1.00000
     81      -7.4193      1.00000
     82      -7.3431      1.00000
     83      -7.2574      1.00000
     84      -7.1680      1.00000
     85      -7.1103      1.00000
     86      -7.0041      1.00000
     87      -6.9039      1.00000
     88      -6.8474      1.00000
     89      -6.5425      1.00000
     90      -6.4978      1.00000
     91      -6.2146      1.00000
     92      -6.2022      1.00000
     93      -5.8942      1.00000
     94      -5.6740      1.00000
     95      -5.6086      1.00000
     96      -5.5803      1.00000
     97      -5.2530      1.00000
     98      -5.2310      1.00000
     99      -5.1647      1.00000
    100      -5.1343      1.00000
    101      -4.6002      1.00000
    102      -4.2514      1.00000
    103      -4.0469      1.00000
    104      -3.8844      1.00000
    105      -3.8436      1.00000
    106      -3.8008      1.00000
    107      -1.8075      0.00000
    108      -1.7799      0.00000
    109      -1.2249      0.00000
    110      -1.1750      0.00000
    111      -0.9738      0.00000
    112      -0.7341      0.00000
    113      -0.6498      0.00000
    114      -0.5937      0.00000
    115      -0.5494      0.00000
    116      -0.1510      0.00000
    117       0.1767      0.00000
    118       0.2883      0.00000
    119       0.7058      0.00000
    120       0.9499      0.00000
    121       1.1686      0.00000
    122       1.2781      0.00000
    123       1.3471      0.00000
    124       1.5123      0.00000
    125       1.6082      0.00000
    126       1.6275      0.00000
    127       1.6922      0.00000
    128       1.7746      0.00000
    129       1.8614      0.00000
    130       2.0792      0.00000
    131       2.1653      0.00000
    132       2.3191      0.00000
    133       2.3925      0.00000
    134       2.4236      0.00000
    135       2.5561      0.00000
    136       2.6247      0.00000
    137       2.6860      0.00000
    138       2.7471      0.00000
    139       2.8164      0.00000
    140       2.9079      0.00000
    141       3.0510      0.00000
    142       3.0617      0.00000
    143       3.1821      0.00000
    144       3.2810      0.00000
    145       3.3785      0.00000
    146       3.4137      0.00000
    147       3.4597      0.00000
    148       3.5463      0.00000
    149       3.5724      0.00000
    150       3.6339      0.00000
    151       3.6641      0.00000
    152       3.7014      0.00000
    153       3.7857      0.00000
    154       3.7983      0.00000
    155       3.8241      0.00000
    156       3.8929      0.00000
    157       3.9069      0.00000
    158       3.9794      0.00000
    159       4.1880      0.00000
    160       4.2335      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3559      1.00000
      2     -21.5364      1.00000
      3     -21.4063      1.00000
      4     -21.4055      1.00000
      5     -21.3743      1.00000
      6     -21.3651      1.00000
      7     -21.3579      1.00000
      8     -19.6459      1.00000
      9     -19.5715      1.00000
     10     -19.5647      1.00000
     11     -19.5580      1.00000
     12     -19.5396      1.00000
     13     -19.5369      1.00000
     14     -18.7278      1.00000
     15     -18.6790      1.00000
     16     -18.6718      1.00000
     17     -18.6582      1.00000
     18     -18.6427      1.00000
     19     -18.6406      1.00000
     20     -16.5860      1.00000
     21     -16.5258      1.00000
     22     -16.5236      1.00000
     23     -16.5107      1.00000
     24     -16.4863      1.00000
     25     -16.4847      1.00000
     26     -15.5581      1.00000
     27     -15.5259      1.00000
     28     -15.5250      1.00000
     29     -15.4995      1.00000
     30     -15.4941      1.00000
     31     -15.4884      1.00000
     32     -14.2060      1.00000
     33     -14.1800      1.00000
     34     -14.1670      1.00000
     35     -14.1649      1.00000
     36     -14.1592      1.00000
     37     -14.1480      1.00000
     38     -11.8842      1.00000
     39     -11.8076      1.00000
     40     -11.7921      1.00000
     41     -11.7915      1.00000
     42     -11.7884      1.00000
     43     -11.7826      1.00000
     44     -11.7045      1.00000
     45     -11.6974      1.00000
     46     -11.6721      1.00000
     47     -11.6579      1.00000
     48     -11.6571      1.00000
     49     -11.6498      1.00000
     50     -10.6748      1.00000
     51     -10.3286      1.00000
     52     -10.3210      1.00000
     53     -10.3053      1.00000
     54     -10.3034      1.00000
     55     -10.2905      1.00000
     56     -10.2773      1.00000
     57      -9.9286      1.00000
     58      -9.3726      1.00000
     59      -9.3590      1.00000
     60      -9.2998      1.00000
     61      -9.2914      1.00000
     62      -9.2846      1.00000
     63      -9.0917      1.00000
     64      -9.0549      1.00000
     65      -9.0485      1.00000
     66      -9.0269      1.00000
     67      -9.0059      1.00000
     68      -9.0010      1.00000
     69      -8.9997      1.00000
     70      -8.9956      1.00000
     71      -8.9915      1.00000
     72      -8.9721      1.00000
     73      -8.9648      1.00000
     74      -8.9534      1.00000
     75      -8.5010      1.00000
     76      -7.5156      1.00000
     77      -7.4106      1.00000
     78      -7.4096      1.00000
     79      -7.4010      1.00000
     80      -7.3833      1.00000
     81      -7.3631      1.00000
     82      -7.3411      1.00000
     83      -7.3084      1.00000
     84      -7.2689      1.00000
     85      -7.2061      1.00000
     86      -7.1797      1.00000
     87      -7.1793      1.00000
     88      -7.0749      1.00000
     89      -6.5094      1.00000
     90      -6.4612      1.00000
     91      -6.3550      1.00000
     92      -6.2931      1.00000
     93      -6.2871      1.00000
     94      -6.2861      1.00000
     95      -5.8960      1.00000
     96      -5.8853      1.00000
     97      -5.0508      1.00000
     98      -4.9380      1.00000
     99      -4.5398      1.00000
    100      -4.3403      1.00000
    101      -4.3176      1.00000
    102      -4.3168      1.00000
    103      -4.1151      1.00000
    104      -3.9131      1.00000
    105      -3.9011      1.00000
    106      -3.8354      1.00000
    107      -1.6813      0.00000
    108      -1.6676      0.00000
    109      -1.5367      0.00000
    110      -1.5349      0.00000
    111      -1.5219      0.00000
    112      -1.5088      0.00000
    113      -0.5842      0.00000
    114       0.1345      0.00000
    115       0.2057      0.00000
    116       0.3252      0.00000
    117       0.3267      0.00000
    118       0.3341      0.00000
    119       0.4965      0.00000
    120       0.5963      0.00000
    121       1.2595      0.00000
    122       1.2742      0.00000
    123       1.5275      0.00000
    124       1.7954      0.00000
    125       1.8037      0.00000
    126       1.8071      0.00000
    127       1.8118      0.00000
    128       1.9463      0.00000
    129       1.9802      0.00000
    130       2.0321      0.00000
    131       2.0455      0.00000
    132       2.0508      0.00000
    133       2.0551      0.00000
    134       2.0611      0.00000
    135       2.3073      0.00000
    136       2.3242      0.00000
    137       2.6115      0.00000
    138       2.6193      0.00000
    139       2.6472      0.00000
    140       2.7241      0.00000
    141       2.8613      0.00000
    142       3.0255      0.00000
    143       3.0547      0.00000
    144       3.0844      0.00000
    145       3.0981      0.00000
    146       3.0996      0.00000
    147       3.1012      0.00000
    148       3.2318      0.00000
    149       3.4502      0.00000
    150       3.5383      0.00000
    151       3.7853      0.00000
    152       3.9417      0.00000
    153       3.9427      0.00000
    154       3.9531      0.00000
    155       3.9568      0.00000
    156       3.9969      0.00000
    157       4.1809      0.00000
    158       4.2688      0.00000
    159       4.2878      0.00000
    160       4.2878      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3193      1.00000
      2     -21.7608      1.00000
      3     -21.5701      1.00000
      4     -21.5371      1.00000
      5     -21.2072      1.00000
      6     -21.1622      1.00000
      7     -20.9866      1.00000
      8     -20.1013      1.00000
      9     -20.0570      1.00000
     10     -19.5457      1.00000
     11     -19.5209      1.00000
     12     -19.3487      1.00000
     13     -19.0244      1.00000
     14     -18.9888      1.00000
     15     -18.9810      1.00000
     16     -18.9685      1.00000
     17     -18.2969      1.00000
     18     -18.2774      1.00000
     19     -17.9517      1.00000
     20     -17.0095      1.00000
     21     -16.9592      1.00000
     22     -16.8784      1.00000
     23     -16.8679      1.00000
     24     -16.4043      1.00000
     25     -16.3892      1.00000
     26     -15.5512      1.00000
     27     -15.5353      1.00000
     28     -15.1973      1.00000
     29     -15.1687      1.00000
     30     -15.1144      1.00000
     31     -15.0273      1.00000
     32     -15.0025      1.00000
     33     -14.6356      1.00000
     34     -14.6238      1.00000
     35     -13.6669      1.00000
     36     -13.6514      1.00000
     37     -13.1695      1.00000
     38     -12.5509      1.00000
     39     -12.5174      1.00000
     40     -12.3907      1.00000
     41     -12.3776      1.00000
     42     -12.0571      1.00000
     43     -12.0339      1.00000
     44     -11.6587      1.00000
     45     -11.6162      1.00000
     46     -11.1803      1.00000
     47     -11.1565      1.00000
     48     -10.9649      1.00000
     49     -10.9406      1.00000
     50     -10.8733      1.00000
     51     -10.8366      1.00000
     52     -10.6028      1.00000
     53     -10.0934      1.00000
     54     -10.0889      1.00000
     55     -10.0466      1.00000
     56      -9.9706      1.00000
     57      -9.6540      1.00000
     58      -9.6293      1.00000
     59      -9.5914      1.00000
     60      -9.5294      1.00000
     61      -9.5099      1.00000
     62      -9.4785      1.00000
     63      -9.2645      1.00000
     64      -9.2414      1.00000
     65      -9.2204      1.00000
     66      -9.1652      1.00000
     67      -9.0681      1.00000
     68      -9.0472      1.00000
     69      -9.0400      1.00000
     70      -8.8824      1.00000
     71      -8.8053      1.00000
     72      -8.5784      1.00000
     73      -8.5222      1.00000
     74      -8.4611      1.00000
     75      -8.0353      1.00000
     76      -7.8119      1.00000
     77      -7.8068      1.00000
     78      -7.7919      1.00000
     79      -7.6998      1.00000
     80      -7.6906      1.00000
     81      -7.3644      1.00000
     82      -7.2738      1.00000
     83      -7.2637      1.00000
     84      -7.2160      1.00000
     85      -7.1726      1.00000
     86      -7.0084      1.00000
     87      -6.9466      1.00000
     88      -6.7471      1.00000
     89      -6.6720      1.00000
     90      -6.5938      1.00000
     91      -6.5590      1.00000
     92      -6.0506      1.00000
     93      -6.0474      1.00000
     94      -6.0216      1.00000
     95      -5.9580      1.00000
     96      -5.7363      1.00000
     97      -5.1579      1.00000
     98      -4.9906      1.00000
     99      -4.7189      1.00000
    100      -4.6106      1.00000
    101      -4.4401      1.00000
    102      -4.3739      1.00000
    103      -4.1224      1.00000
    104      -3.8683      1.00000
    105      -3.8352      1.00000
    106      -3.7903      1.00000
    107      -1.7850      0.00000
    108      -1.7382      0.00000
    109      -1.3944      0.00000
    110      -1.3457      0.00000
    111      -1.2639      0.00000
    112      -1.2258      0.00000
    113      -0.7446      0.00000
    114      -0.3788      0.00000
    115      -0.2195      0.00000
    116      -0.0178      0.00000
    117       0.5910      0.00000
    118       0.7368      0.00000
    119       0.7640      0.00000
    120       1.0499      0.00000
    121       1.1416      0.00000
    122       1.2509      0.00000
    123       1.2723      0.00000
    124       1.4144      0.00000
    125       1.4795      0.00000
    126       1.5862      0.00000
    127       1.7576      0.00000
    128       1.8404      0.00000
    129       1.8966      0.00000
    130       1.9595      0.00000
    131       2.1076      0.00000
    132       2.2356      0.00000
    133       2.2494      0.00000
    134       2.2959      0.00000
    135       2.4877      0.00000
    136       2.6140      0.00000
    137       2.6378      0.00000
    138       2.7668      0.00000
    139       2.7969      0.00000
    140       2.8565      0.00000
    141       2.8668      0.00000
    142       2.8925      0.00000
    143       2.9594      0.00000
    144       3.0820      0.00000
    145       3.2806      0.00000
    146       3.3063      0.00000
    147       3.3744      0.00000
    148       3.4082      0.00000
    149       3.4658      0.00000
    150       3.5854      0.00000
    151       3.6366      0.00000
    152       3.6685      0.00000
    153       3.7060      0.00000
    154       3.9054      0.00000
    155       3.9415      0.00000
    156       3.9817      0.00000
    157       4.0845      0.00000
    158       4.2034      0.00000
    159       4.2423      0.00000
    160       4.2971      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2137      1.00000
      2     -22.0073      1.00000
      3     -21.6487      1.00000
      4     -21.6115      1.00000
      5     -20.9125      1.00000
      6     -20.8660      1.00000
      7     -20.5453      1.00000
      8     -20.5058      1.00000
      9     -20.4953      1.00000
     10     -19.9631      1.00000
     11     -19.4419      1.00000
     12     -19.4146      1.00000
     13     -19.2411      1.00000
     14     -19.2265      1.00000
     15     -18.3839      1.00000
     16     -18.3394      1.00000
     17     -17.8597      1.00000
     18     -17.8383      1.00000
     19     -17.6977      1.00000
     20     -17.6549      1.00000
     21     -17.3718      1.00000
     22     -17.3554      1.00000
     23     -17.2742      1.00000
     24     -16.4007      1.00000
     25     -16.3858      1.00000
     26     -15.8962      1.00000
     27     -15.3519      1.00000
     28     -15.3367      1.00000
     29     -15.0341      1.00000
     30     -15.0204      1.00000
     31     -14.7994      1.00000
     32     -14.7745      1.00000
     33     -14.2217      1.00000
     34     -14.1896      1.00000
     35     -13.3709      1.00000
     36     -13.3370      1.00000
     37     -13.1195      1.00000
     38     -13.1019      1.00000
     39     -12.9159      1.00000
     40     -12.9024      1.00000
     41     -12.5565      1.00000
     42     -12.5383      1.00000
     43     -12.1332      1.00000
     44     -11.5216      1.00000
     45     -11.4731      1.00000
     46     -11.2533      1.00000
     47     -11.2191      1.00000
     48     -11.0796      1.00000
     49     -10.6601      1.00000
     50     -10.5884      1.00000
     51     -10.5237      1.00000
     52     -10.2582      1.00000
     53     -10.2483      1.00000
     54     -10.1227      1.00000
     55     -10.0483      1.00000
     56     -10.0405      1.00000
     57      -9.7700      1.00000
     58      -9.7059      1.00000
     59      -9.6793      1.00000
     60      -9.6296      1.00000
     61      -9.6267      1.00000
     62      -9.5873      1.00000
     63      -9.2945      1.00000
     64      -9.2854      1.00000
     65      -9.2525      1.00000
     66      -9.0891      1.00000
     67      -8.8974      1.00000
     68      -8.8826      1.00000
     69      -8.7245      1.00000
     70      -8.5896      1.00000
     71      -8.5134      1.00000
     72      -8.3306      1.00000
     73      -8.3024      1.00000
     74      -8.2643      1.00000
     75      -8.2324      1.00000
     76      -8.1947      1.00000
     77      -8.1854      1.00000
     78      -8.1701      1.00000
     79      -8.1023      1.00000
     80      -7.6884      1.00000
     81      -7.3574      1.00000
     82      -7.3101      1.00000
     83      -7.2644      1.00000
     84      -7.1878      1.00000
     85      -7.1252      1.00000
     86      -7.0766      1.00000
     87      -6.9067      1.00000
     88      -6.8822      1.00000
     89      -6.5487      1.00000
     90      -6.4927      1.00000
     91      -6.2093      1.00000
     92      -6.0702      1.00000
     93      -5.9422      1.00000
     94      -5.7157      1.00000
     95      -5.6330      1.00000
     96      -5.4525      1.00000
     97      -5.3052      1.00000
     98      -5.2340      1.00000
     99      -5.1520      1.00000
    100      -5.1512      1.00000
    101      -4.5236      1.00000
    102      -4.4709      1.00000
    103      -4.1440      1.00000
    104      -3.8383      1.00000
    105      -3.7572      1.00000
    106      -3.6792      1.00000
    107      -1.8708      0.00000
    108      -1.8237      0.00000
    109      -1.2769      0.00000
    110      -1.0356      0.00000
    111      -1.0116      0.00000
    112      -0.7120      0.00000
    113      -0.6394      0.00000
    114      -0.5880      0.00000
    115      -0.5459      0.00000
    116      -0.2012      0.00000
    117       0.2527      0.00000
    118       0.2788      0.00000
    119       0.7611      0.00000
    120       0.9461      0.00000
    121       1.1327      0.00000
    122       1.2262      0.00000
    123       1.3208      0.00000
    124       1.4132      0.00000
    125       1.6010      0.00000
    126       1.6340      0.00000
    127       1.7009      0.00000
    128       1.8250      0.00000
    129       1.9198      0.00000
    130       2.0118      0.00000
    131       2.1075      0.00000
    132       2.3298      0.00000
    133       2.3959      0.00000
    134       2.4328      0.00000
    135       2.5417      0.00000
    136       2.6343      0.00000
    137       2.7558      0.00000
    138       2.8211      0.00000
    139       2.8328      0.00000
    140       2.8870      0.00000
    141       3.0410      0.00000
    142       3.0897      0.00000
    143       3.1866      0.00000
    144       3.2392      0.00000
    145       3.3869      0.00000
    146       3.4221      0.00000
    147       3.4802      0.00000
    148       3.5730      0.00000
    149       3.6002      0.00000
    150       3.6277      0.00000
    151       3.6513      0.00000
    152       3.7425      0.00000
    153       3.7719      0.00000
    154       3.7870      0.00000
    155       3.8067      0.00000
    156       3.8965      0.00000
    157       3.9763      0.00000
    158       4.0093      0.00000
    159       4.1753      0.00000
    160       4.2390      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2475      1.00000
      2     -21.8931      1.00000
      3     -21.8224      1.00000
      4     -21.3111      1.00000
      5     -21.2808      1.00000
      6     -20.7700      1.00000
      7     -20.7041      1.00000
      8     -20.5557      1.00000
      9     -20.0081      1.00000
     10     -20.0007      1.00000
     11     -19.6474      1.00000
     12     -19.6230      1.00000
     13     -18.9288      1.00000
     14     -18.9204      1.00000
     15     -18.5698      1.00000
     16     -18.5558      1.00000
     17     -18.3935      1.00000
     18     -17.6148      1.00000
     19     -17.5583      1.00000
     20     -17.5533      1.00000
     21     -17.5118      1.00000
     22     -17.0552      1.00000
     23     -17.0374      1.00000
     24     -16.8904      1.00000
     25     -15.9287      1.00000
     26     -15.8667      1.00000
     27     -15.5160      1.00000
     28     -15.5150      1.00000
     29     -15.2281      1.00000
     30     -14.7940      1.00000
     31     -14.7665      1.00000
     32     -14.5151      1.00000
     33     -14.4710      1.00000
     34     -14.1008      1.00000
     35     -14.0898      1.00000
     36     -13.0756      1.00000
     37     -13.0327      1.00000
     38     -12.9667      1.00000
     39     -12.9546      1.00000
     40     -12.6451      1.00000
     41     -12.6385      1.00000
     42     -12.2733      1.00000
     43     -12.2419      1.00000
     44     -11.5871      1.00000
     45     -11.5597      1.00000
     46     -11.5056      1.00000
     47     -10.9043      1.00000
     48     -10.8502      1.00000
     49     -10.6218      1.00000
     50     -10.5590      1.00000
     51     -10.4850      1.00000
     52     -10.4327      1.00000
     53     -10.4229      1.00000
     54     -10.3707      1.00000
     55     -10.2940      1.00000
     56     -10.0652      1.00000
     57      -9.8327      1.00000
     58      -9.5487      1.00000
     59      -9.4887      1.00000
     60      -9.4718      1.00000
     61      -9.3453      1.00000
     62      -9.3300      1.00000
     63      -9.3104      1.00000
     64      -9.3082      1.00000
     65      -9.2139      1.00000
     66      -9.1114      1.00000
     67      -9.0798      1.00000
     68      -9.0488      1.00000
     69      -8.8484      1.00000
     70      -8.7920      1.00000
     71      -8.7731      1.00000
     72      -8.5267      1.00000
     73      -8.4756      1.00000
     74      -8.2229      1.00000
     75      -8.1095      1.00000
     76      -8.0985      1.00000
     77      -7.8077      1.00000
     78      -7.7843      1.00000
     79      -7.7820      1.00000
     80      -7.6732      1.00000
     81      -7.6314      1.00000
     82      -7.6302      1.00000
     83      -7.4006      1.00000
     84      -7.3245      1.00000
     85      -7.2001      1.00000
     86      -6.8390      1.00000
     87      -6.8286      1.00000
     88      -6.6626      1.00000
     89      -6.5381      1.00000
     90      -6.3449      1.00000
     91      -6.3074      1.00000
     92      -6.1836      1.00000
     93      -6.1468      1.00000
     94      -5.9773      1.00000
     95      -5.5725      1.00000
     96      -5.4260      1.00000
     97      -5.2586      1.00000
     98      -5.2520      1.00000
     99      -5.1490      1.00000
    100      -4.6955      1.00000
    101      -4.6649      1.00000
    102      -4.3489      1.00000
    103      -4.3166      1.00000
    104      -3.9652      1.00000
    105      -3.8318      1.00000
    106      -3.3889      1.00000
    107      -2.2200      0.00000
    108      -1.3766      0.00000
    109      -1.2861      0.00000
    110      -1.1730      0.00000
    111      -1.0775      0.00000
    112      -0.8937      0.00000
    113      -0.7678      0.00000
    114      -0.7571      0.00000
    115      -0.2168      0.00000
    116       0.1141      0.00000
    117       0.2642      0.00000
    118       0.3461      0.00000
    119       0.7348      0.00000
    120       0.9036      0.00000
    121       0.9719      0.00000
    122       1.0950      0.00000
    123       1.2095      0.00000
    124       1.5298      0.00000
    125       1.5626      0.00000
    126       1.7163      0.00000
    127       1.8388      0.00000
    128       1.8624      0.00000
    129       1.9699      0.00000
    130       1.9984      0.00000
    131       2.1597      0.00000
    132       2.2681      0.00000
    133       2.4559      0.00000
    134       2.4679      0.00000
    135       2.5077      0.00000
    136       2.6666      0.00000
    137       2.6870      0.00000
    138       2.7326      0.00000
    139       2.7433      0.00000
    140       2.8924      0.00000
    141       3.0227      0.00000
    142       3.0812      0.00000
    143       3.1939      0.00000
    144       3.2547      0.00000
    145       3.2582      0.00000
    146       3.2696      0.00000
    147       3.3587      0.00000
    148       3.4817      0.00000
    149       3.5289      0.00000
    150       3.6975      0.00000
    151       3.7560      0.00000
    152       3.7705      0.00000
    153       3.8350      0.00000
    154       3.8787      0.00000
    155       3.9421      0.00000
    156       3.9835      0.00000
    157       4.0232      0.00000
    158       4.0491      0.00000
    159       4.0560      0.00000
    160       4.0989      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1415      1.00000
      2     -22.0462      1.00000
      3     -21.8861      1.00000
      4     -21.3341      1.00000
      5     -20.9813      1.00000
      6     -20.9427      1.00000
      7     -20.4329      1.00000
      8     -20.3901      1.00000
      9     -20.2261      1.00000
     10     -20.2047      1.00000
     11     -19.8885      1.00000
     12     -19.8209      1.00000
     13     -18.8143      1.00000
     14     -18.7432      1.00000
     15     -18.2897      1.00000
     16     -18.2361      1.00000
     17     -18.0855      1.00000
     18     -18.0652      1.00000
     19     -17.7612      1.00000
     20     -17.7187      1.00000
     21     -17.1887      1.00000
     22     -17.1691      1.00000
     23     -17.0995      1.00000
     24     -17.0632      1.00000
     25     -16.0375      1.00000
     26     -15.8224      1.00000
     27     -15.7992      1.00000
     28     -15.7640      1.00000
     29     -15.1735      1.00000
     30     -14.4906      1.00000
     31     -14.4578      1.00000
     32     -14.2176      1.00000
     33     -13.8951      1.00000
     34     -13.8899      1.00000
     35     -13.7558      1.00000
     36     -13.7354      1.00000
     37     -13.5514      1.00000
     38     -13.5026      1.00000
     39     -13.2996      1.00000
     40     -12.5640      1.00000
     41     -12.1250      1.00000
     42     -12.0656      1.00000
     43     -12.0095      1.00000
     44     -11.9510      1.00000
     45     -11.6110      1.00000
     46     -11.5880      1.00000
     47     -11.0849      1.00000
     48     -11.0514      1.00000
     49     -10.7530      1.00000
     50     -10.6633      1.00000
     51     -10.5271      1.00000
     52     -10.1492      1.00000
     53     -10.1377      1.00000
     54     -10.0956      1.00000
     55      -9.9528      1.00000
     56      -9.9477      1.00000
     57      -9.9167      1.00000
     58      -9.7371      1.00000
     59      -9.7317      1.00000
     60      -9.7002      1.00000
     61      -9.6907      1.00000
     62      -9.4296      1.00000
     63      -9.3624      1.00000
     64      -9.0869      1.00000
     65      -9.0069      1.00000
     66      -8.9741      1.00000
     67      -8.8874      1.00000
     68      -8.8110      1.00000
     69      -8.6582      1.00000
     70      -8.6352      1.00000
     71      -8.5788      1.00000
     72      -8.4776      1.00000
     73      -8.4669      1.00000
     74      -8.3980      1.00000
     75      -8.3939      1.00000
     76      -8.1834      1.00000
     77      -8.1144      1.00000
     78      -7.9769      1.00000
     79      -7.9155      1.00000
     80      -7.8468      1.00000
     81      -7.6179      1.00000
     82      -7.5296      1.00000
     83      -7.4687      1.00000
     84      -7.2570      1.00000
     85      -6.9349      1.00000
     86      -6.8577      1.00000
     87      -6.8111      1.00000
     88      -6.5751      1.00000
     89      -6.4665      1.00000
     90      -6.4199      1.00000
     91      -6.3562      1.00000
     92      -6.0526      1.00000
     93      -5.8780      1.00000
     94      -5.7528      1.00000
     95      -5.7215      1.00000
     96      -5.4774      1.00000
     97      -5.3464      1.00000
     98      -5.1801      1.00000
     99      -5.1560      1.00000
    100      -5.1543      1.00000
    101      -4.7076      1.00000
    102      -4.4411      1.00000
    103      -4.2565      1.00000
    104      -3.9969      1.00000
    105      -3.8307      1.00000
    106      -3.1555      1.00000
    107      -2.4628      0.00000
    108      -1.3786      0.00000
    109      -1.2409      0.00000
    110      -1.1459      0.00000
    111      -1.1142      0.00000
    112      -0.5631      0.00000
    113      -0.4344      0.00000
    114      -0.4294      0.00000
    115      -0.3097      0.00000
    116      -0.1897      0.00000
    117       0.0620      0.00000
    118       0.1175      0.00000
    119       0.5406      0.00000
    120       0.6843      0.00000
    121       0.8718      0.00000
    122       0.9687      0.00000
    123       1.1118      0.00000
    124       1.4960      0.00000
    125       1.6627      0.00000
    126       1.8023      0.00000
    127       1.8765      0.00000
    128       2.0929      0.00000
    129       2.1386      0.00000
    130       2.1971      0.00000
    131       2.2154      0.00000
    132       2.3403      0.00000
    133       2.3623      0.00000
    134       2.4885      0.00000
    135       2.5815      0.00000
    136       2.6688      0.00000
    137       2.8790      0.00000
    138       2.9378      0.00000
    139       2.9661      0.00000
    140       2.9903      0.00000
    141       3.0401      0.00000
    142       3.1504      0.00000
    143       3.1815      0.00000
    144       3.2443      0.00000
    145       3.2904      0.00000
    146       3.3323      0.00000
    147       3.3499      0.00000
    148       3.3799      0.00000
    149       3.4119      0.00000
    150       3.4959      0.00000
    151       3.5528      0.00000
    152       3.6325      0.00000
    153       3.6947      0.00000
    154       3.7096      0.00000
    155       3.7257      0.00000
    156       3.9203      0.00000
    157       3.9347      0.00000
    158       4.0586      0.00000
    159       4.0889      0.00000
    160       4.2008      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2473      1.00000
      2     -21.8946      1.00000
      3     -21.8210      1.00000
      4     -21.3158      1.00000
      5     -21.2768      1.00000
      6     -20.7709      1.00000
      7     -20.7020      1.00000
      8     -20.5539      1.00000
      9     -20.0224      1.00000
     10     -19.9899      1.00000
     11     -19.6498      1.00000
     12     -19.6186      1.00000
     13     -18.9430      1.00000
     14     -18.9081      1.00000
     15     -18.5837      1.00000
     16     -18.5461      1.00000
     17     -18.3915      1.00000
     18     -17.6016      1.00000
     19     -17.5698      1.00000
     20     -17.5406      1.00000
     21     -17.5078      1.00000
     22     -17.0741      1.00000
     23     -17.0270      1.00000
     24     -16.8999      1.00000
     25     -15.9452      1.00000
     26     -15.8507      1.00000
     27     -15.5327      1.00000
     28     -15.5061      1.00000
     29     -15.2088      1.00000
     30     -14.8135      1.00000
     31     -14.7609      1.00000
     32     -14.5089      1.00000
     33     -14.4672      1.00000
     34     -14.0960      1.00000
     35     -14.0928      1.00000
     36     -13.1045      1.00000
     37     -13.0290      1.00000
     38     -12.9560      1.00000
     39     -12.9490      1.00000
     40     -12.6553      1.00000
     41     -12.6267      1.00000
     42     -12.2737      1.00000
     43     -12.2469      1.00000
     44     -11.5731      1.00000
     45     -11.5533      1.00000
     46     -11.5002      1.00000
     47     -10.8776      1.00000
     48     -10.8693      1.00000
     49     -10.6832      1.00000
     50     -10.5243      1.00000
     51     -10.5205      1.00000
     52     -10.4335      1.00000
     53     -10.4152      1.00000
     54     -10.3696      1.00000
     55     -10.2870      1.00000
     56     -10.0608      1.00000
     57      -9.8315      1.00000
     58      -9.5585      1.00000
     59      -9.4838      1.00000
     60      -9.4447      1.00000
     61      -9.3562      1.00000
     62      -9.3382      1.00000
     63      -9.3069      1.00000
     64      -9.3018      1.00000
     65      -9.2057      1.00000
     66      -9.0993      1.00000
     67      -9.0682      1.00000
     68      -9.0489      1.00000
     69      -8.8516      1.00000
     70      -8.7972      1.00000
     71      -8.7773      1.00000
     72      -8.5265      1.00000
     73      -8.4972      1.00000
     74      -8.2279      1.00000
     75      -8.1297      1.00000
     76      -8.0923      1.00000
     77      -7.8064      1.00000
     78      -7.7668      1.00000
     79      -7.7388      1.00000
     80      -7.7032      1.00000
     81      -7.6346      1.00000
     82      -7.6247      1.00000
     83      -7.3879      1.00000
     84      -7.3441      1.00000
     85      -7.2197      1.00000
     86      -6.8433      1.00000
     87      -6.8204      1.00000
     88      -6.6401      1.00000
     89      -6.5293      1.00000
     90      -6.3406      1.00000
     91      -6.2729      1.00000
     92      -6.1953      1.00000
     93      -6.1318      1.00000
     94      -6.0212      1.00000
     95      -5.6380      1.00000
     96      -5.5086      1.00000
     97      -5.2974      1.00000
     98      -5.1557      1.00000
     99      -5.0403      1.00000
    100      -4.7268      1.00000
    101      -4.6855      1.00000
    102      -4.3679      1.00000
    103      -4.1859      1.00000
    104      -4.0100      1.00000
    105      -3.8302      1.00000
    106      -3.4837      1.00000
    107      -2.1639      0.00000
    108      -1.3831      0.00000
    109      -1.2354      0.00000
    110      -1.1844      0.00000
    111      -1.0139      0.00000
    112      -0.9554      0.00000
    113      -0.7971      0.00000
    114      -0.7517      0.00000
    115      -0.3645      0.00000
    116       0.2452      0.00000
    117       0.2767      0.00000
    118       0.3649      0.00000
    119       0.7008      0.00000
    120       0.8692      0.00000
    121       0.9659      0.00000
    122       1.1273      0.00000
    123       1.2363      0.00000
    124       1.4565      0.00000
    125       1.5555      0.00000
    126       1.7826      0.00000
    127       1.8515      0.00000
    128       1.8836      0.00000
    129       1.9859      0.00000
    130       2.0316      0.00000
    131       2.1980      0.00000
    132       2.2120      0.00000
    133       2.4025      0.00000
    134       2.4529      0.00000
    135       2.5547      0.00000
    136       2.6584      0.00000
    137       2.6850      0.00000
    138       2.7286      0.00000
    139       2.7672      0.00000
    140       2.8548      0.00000
    141       2.9659      0.00000
    142       3.0808      0.00000
    143       3.1902      0.00000
    144       3.2408      0.00000
    145       3.2567      0.00000
    146       3.2946      0.00000
    147       3.3303      0.00000
    148       3.4818      0.00000
    149       3.5092      0.00000
    150       3.7129      0.00000
    151       3.7229      0.00000
    152       3.7707      0.00000
    153       3.8616      0.00000
    154       3.8753      0.00000
    155       3.8982      0.00000
    156       3.9977      0.00000
    157       3.9990      0.00000
    158       4.0507      0.00000
    159       4.0651      0.00000
    160       4.1029      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3192      1.00000
      2     -21.7611      1.00000
      3     -21.5674      1.00000
      4     -21.5401      1.00000
      5     -21.2046      1.00000
      6     -21.1656      1.00000
      7     -20.9851      1.00000
      8     -20.0982      1.00000
      9     -20.0592      1.00000
     10     -19.5460      1.00000
     11     -19.5259      1.00000
     12     -19.3441      1.00000
     13     -19.0277      1.00000
     14     -18.9877      1.00000
     15     -18.9771      1.00000
     16     -18.9713      1.00000
     17     -18.2956      1.00000
     18     -18.2821      1.00000
     19     -17.9455      1.00000
     20     -16.9999      1.00000
     21     -16.9588      1.00000
     22     -16.8822      1.00000
     23     -16.8694      1.00000
     24     -16.4161      1.00000
     25     -16.3932      1.00000
     26     -15.5407      1.00000
     27     -15.5372      1.00000
     28     -15.1723      1.00000
     29     -15.1707      1.00000
     30     -15.1303      1.00000
     31     -15.0357      1.00000
     32     -15.0004      1.00000
     33     -14.6333      1.00000
     34     -14.6262      1.00000
     35     -13.6627      1.00000
     36     -13.6526      1.00000
     37     -13.1702      1.00000
     38     -12.5727      1.00000
     39     -12.5127      1.00000
     40     -12.3850      1.00000
     41     -12.3845      1.00000
     42     -12.0351      1.00000
     43     -12.0309      1.00000
     44     -11.6553      1.00000
     45     -11.6148      1.00000
     46     -11.2066      1.00000
     47     -11.1571      1.00000
     48     -10.9547      1.00000
     49     -10.9415      1.00000
     50     -10.8605      1.00000
     51     -10.8280      1.00000
     52     -10.6258      1.00000
     53     -10.1468      1.00000
     54     -10.0837      1.00000
     55     -10.0243      1.00000
     56      -9.9459      1.00000
     57      -9.6307      1.00000
     58      -9.6291      1.00000
     59      -9.6028      1.00000
     60      -9.5409      1.00000
     61      -9.5030      1.00000
     62      -9.4785      1.00000
     63      -9.2727      1.00000
     64      -9.2345      1.00000
     65      -9.2064      1.00000
     66      -9.1801      1.00000
     67      -9.0619      1.00000
     68      -9.0463      1.00000
     69      -9.0426      1.00000
     70      -8.8766      1.00000
     71      -8.8092      1.00000
     72      -8.5368      1.00000
     73      -8.5332      1.00000
     74      -8.5021      1.00000
     75      -8.0302      1.00000
     76      -7.8327      1.00000
     77      -7.8005      1.00000
     78      -7.7737      1.00000
     79      -7.7023      1.00000
     80      -7.6838      1.00000
     81      -7.4142      1.00000
     82      -7.2869      1.00000
     83      -7.2507      1.00000
     84      -7.2031      1.00000
     85      -7.0820      1.00000
     86      -7.0751      1.00000
     87      -6.9385      1.00000
     88      -6.7115      1.00000
     89      -6.6743      1.00000
     90      -6.6288      1.00000
     91      -6.5568      1.00000
     92      -6.0713      1.00000
     93      -6.0310      1.00000
     94      -6.0017      1.00000
     95      -5.9371      1.00000
     96      -5.8006      1.00000
     97      -5.1828      1.00000
     98      -4.8960      1.00000
     99      -4.7939      1.00000
    100      -4.6104      1.00000
    101      -4.5123      1.00000
    102      -4.1406      1.00000
    103      -4.0918      1.00000
    104      -3.9307      1.00000
    105      -3.9168      1.00000
    106      -3.8292      1.00000
    107      -1.7515      0.00000
    108      -1.6954      0.00000
    109      -1.4101      0.00000
    110      -1.3706      0.00000
    111      -1.2641      0.00000
    112      -1.2356      0.00000
    113      -0.6228      0.00000
    114      -0.5977      0.00000
    115      -0.1902      0.00000
    116       0.0431      0.00000
    117       0.5845      0.00000
    118       0.7405      0.00000
    119       0.8500      0.00000
    120       0.9288      0.00000
    121       1.1678      0.00000
    122       1.2114      0.00000
    123       1.2476      0.00000
    124       1.4196      0.00000
    125       1.5995      0.00000
    126       1.6392      0.00000
    127       1.7049      0.00000
    128       1.8059      0.00000
    129       1.9229      0.00000
    130       1.9402      0.00000
    131       2.1500      0.00000
    132       2.1730      0.00000
    133       2.2614      0.00000
    134       2.3004      0.00000
    135       2.5426      0.00000
    136       2.5590      0.00000
    137       2.6348      0.00000
    138       2.7610      0.00000
    139       2.8083      0.00000
    140       2.8471      0.00000
    141       2.8937      0.00000
    142       2.9440      0.00000
    143       3.0147      0.00000
    144       3.0274      0.00000
    145       3.0866      0.00000
    146       3.3128      0.00000
    147       3.3706      0.00000
    148       3.4178      0.00000
    149       3.4782      0.00000
    150       3.6007      0.00000
    151       3.6563      0.00000
    152       3.6645      0.00000
    153       3.6790      0.00000
    154       3.8917      0.00000
    155       3.9785      0.00000
    156       4.0264      0.00000
    157       4.0732      0.00000
    158       4.2341      0.00000
    159       4.2552      0.00000
    160       4.2684      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1406      1.00000
      2     -22.0476      1.00000
      3     -21.8856      1.00000
      4     -21.3351      1.00000
      5     -20.9763      1.00000
      6     -20.9467      1.00000
      7     -20.4276      1.00000
      8     -20.3955      1.00000
      9     -20.2154      1.00000
     10     -20.2136      1.00000
     11     -19.8875      1.00000
     12     -19.8237      1.00000
     13     -18.8176      1.00000
     14     -18.7467      1.00000
     15     -18.2652      1.00000
     16     -18.2511      1.00000
     17     -18.0798      1.00000
     18     -18.0733      1.00000
     19     -17.7454      1.00000
     20     -17.7295      1.00000
     21     -17.1948      1.00000
     22     -17.1713      1.00000
     23     -17.0879      1.00000
     24     -17.0680      1.00000
     25     -16.0534      1.00000
     26     -15.8082      1.00000
     27     -15.7987      1.00000
     28     -15.7778      1.00000
     29     -15.1585      1.00000
     30     -14.4857      1.00000
     31     -14.4642      1.00000
     32     -14.2036      1.00000
     33     -13.9159      1.00000
     34     -13.8860      1.00000
     35     -13.7586      1.00000
     36     -13.7384      1.00000
     37     -13.5361      1.00000
     38     -13.5100      1.00000
     39     -13.3009      1.00000
     40     -12.5762      1.00000
     41     -12.1011      1.00000
     42     -12.0769      1.00000
     43     -11.9985      1.00000
     44     -11.9508      1.00000
     45     -11.6050      1.00000
     46     -11.5972      1.00000
     47     -11.0848      1.00000
     48     -11.0613      1.00000
     49     -10.7327      1.00000
     50     -10.6649      1.00000
     51     -10.5607      1.00000
     52     -10.1391      1.00000
     53     -10.1344      1.00000
     54     -10.1003      1.00000
     55      -9.9659      1.00000
     56      -9.9248      1.00000
     57      -9.9208      1.00000
     58      -9.7507      1.00000
     59      -9.7283      1.00000
     60      -9.6972      1.00000
     61      -9.6947      1.00000
     62      -9.4013      1.00000
     63      -9.3898      1.00000
     64      -9.0690      1.00000
     65      -8.9820      1.00000
     66      -8.9808      1.00000
     67      -8.9063      1.00000
     68      -8.8117      1.00000
     69      -8.6492      1.00000
     70      -8.6331      1.00000
     71      -8.5488      1.00000
     72      -8.5027      1.00000
     73      -8.4831      1.00000
     74      -8.3941      1.00000
     75      -8.3820      1.00000
     76      -8.2097      1.00000
     77      -8.1022      1.00000
     78      -8.0069      1.00000
     79      -7.9016      1.00000
     80      -7.8430      1.00000
     81      -7.6217      1.00000
     82      -7.5325      1.00000
     83      -7.4576      1.00000
     84      -7.2538      1.00000
     85      -6.9424      1.00000
     86      -6.8683      1.00000
     87      -6.8090      1.00000
     88      -6.4780      1.00000
     89      -6.4692      1.00000
     90      -6.4095      1.00000
     91      -6.3599      1.00000
     92      -6.1925      1.00000
     93      -5.8577      1.00000
     94      -5.7373      1.00000
     95      -5.7110      1.00000
     96      -5.5244      1.00000
     97      -5.3291      1.00000
     98      -5.1719      1.00000
     99      -5.1673      1.00000
    100      -5.1338      1.00000
    101      -4.6962      1.00000
    102      -4.3483      1.00000
    103      -4.2817      1.00000
    104      -4.0304      1.00000
    105      -3.8317      1.00000
    106      -3.2329      1.00000
    107      -2.4045      0.00000
    108      -1.3450      0.00000
    109      -1.2432      0.00000
    110      -1.1529      0.00000
    111      -1.1083      0.00000
    112      -0.5821      0.00000
    113      -0.5213      0.00000
    114      -0.4336      0.00000
    115      -0.2750      0.00000
    116      -0.0696      0.00000
    117      -0.0103      0.00000
    118       0.0602      0.00000
    119       0.5831      0.00000
    120       0.7109      0.00000
    121       0.8102      0.00000
    122       0.9450      0.00000
    123       1.1838      0.00000
    124       1.5098      0.00000
    125       1.6213      0.00000
    126       1.8590      0.00000
    127       2.0040      0.00000
    128       2.0513      0.00000
    129       2.1125      0.00000
    130       2.1524      0.00000
    131       2.2635      0.00000
    132       2.2859      0.00000
    133       2.3483      0.00000
    134       2.4630      0.00000
    135       2.6110      0.00000
    136       2.7009      0.00000
    137       2.8186      0.00000
    138       2.9154      0.00000
    139       2.9429      0.00000
    140       3.0131      0.00000
    141       3.0472      0.00000
    142       3.1569      0.00000
    143       3.1636      0.00000
    144       3.2234      0.00000
    145       3.2989      0.00000
    146       3.3109      0.00000
    147       3.3536      0.00000
    148       3.3733      0.00000
    149       3.4163      0.00000
    150       3.4478      0.00000
    151       3.5617      0.00000
    152       3.6124      0.00000
    153       3.7020      0.00000
    154       3.7258      0.00000
    155       3.8475      0.00000
    156       3.9046      0.00000
    157       3.9316      0.00000
    158       3.9603      0.00000
    159       4.1464      0.00000
    160       4.1812      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2132      1.00000
      2     -22.0080      1.00000
      3     -21.6461      1.00000
      4     -21.6147      1.00000
      5     -20.9096      1.00000
      6     -20.8688      1.00000
      7     -20.5389      1.00000
      8     -20.5062      1.00000
      9     -20.4994      1.00000
     10     -19.9619      1.00000
     11     -19.4408      1.00000
     12     -19.4188      1.00000
     13     -19.2399      1.00000
     14     -19.2327      1.00000
     15     -18.3757      1.00000
     16     -18.3406      1.00000
     17     -17.8587      1.00000
     18     -17.8426      1.00000
     19     -17.6909      1.00000
     20     -17.6549      1.00000
     21     -17.3721      1.00000
     22     -17.3578      1.00000
     23     -17.2665      1.00000
     24     -16.4137      1.00000
     25     -16.3900      1.00000
     26     -15.9043      1.00000
     27     -15.3436      1.00000
     28     -15.3386      1.00000
     29     -15.0312      1.00000
     30     -15.0213      1.00000
     31     -14.7759      1.00000
     32     -14.7736      1.00000
     33     -14.2372      1.00000
     34     -14.1865      1.00000
     35     -13.3873      1.00000
     36     -13.3329      1.00000
     37     -13.1111      1.00000
     38     -13.1029      1.00000
     39     -12.9176      1.00000
     40     -12.9118      1.00000
     41     -12.5454      1.00000
     42     -12.5375      1.00000
     43     -12.1328      1.00000
     44     -11.5143      1.00000
     45     -11.4696      1.00000
     46     -11.2451      1.00000
     47     -11.2133      1.00000
     48     -11.0859      1.00000
     49     -10.7073      1.00000
     50     -10.5958      1.00000
     51     -10.5095      1.00000
     52     -10.2509      1.00000
     53     -10.2467      1.00000
     54     -10.1220      1.00000
     55     -10.0545      1.00000
     56     -10.0387      1.00000
     57      -9.7851      1.00000
     58      -9.6865      1.00000
     59      -9.6729      1.00000
     60      -9.6370      1.00000
     61      -9.6273      1.00000
     62      -9.5854      1.00000
     63      -9.2953      1.00000
     64      -9.2830      1.00000
     65      -9.2537      1.00000
     66      -9.0661      1.00000
     67      -8.8945      1.00000
     68      -8.8832      1.00000
     69      -8.7182      1.00000
     70      -8.5823      1.00000
     71      -8.5267      1.00000
     72      -8.3509      1.00000
     73      -8.3049      1.00000
     74      -8.2433      1.00000
     75      -8.2377      1.00000
     76      -8.1947      1.00000
     77      -8.1812      1.00000
     78      -8.1698      1.00000
     79      -8.1089      1.00000
     80      -7.6897      1.00000
     81      -7.4193      1.00000
     82      -7.3431      1.00000
     83      -7.2574      1.00000
     84      -7.1680      1.00000
     85      -7.1103      1.00000
     86      -7.0041      1.00000
     87      -6.9039      1.00000
     88      -6.8474      1.00000
     89      -6.5425      1.00000
     90      -6.4978      1.00000
     91      -6.2146      1.00000
     92      -6.2022      1.00000
     93      -5.8942      1.00000
     94      -5.6740      1.00000
     95      -5.6086      1.00000
     96      -5.5803      1.00000
     97      -5.2530      1.00000
     98      -5.2310      1.00000
     99      -5.1647      1.00000
    100      -5.1343      1.00000
    101      -4.6002      1.00000
    102      -4.2514      1.00000
    103      -4.0469      1.00000
    104      -3.8844      1.00000
    105      -3.8436      1.00000
    106      -3.8008      1.00000
    107      -1.8075      0.00000
    108      -1.7799      0.00000
    109      -1.2249      0.00000
    110      -1.1750      0.00000
    111      -0.9738      0.00000
    112      -0.7341      0.00000
    113      -0.6498      0.00000
    114      -0.5937      0.00000
    115      -0.5494      0.00000
    116      -0.1510      0.00000
    117       0.1767      0.00000
    118       0.2883      0.00000
    119       0.7058      0.00000
    120       0.9499      0.00000
    121       1.1686      0.00000
    122       1.2781      0.00000
    123       1.3471      0.00000
    124       1.5123      0.00000
    125       1.6082      0.00000
    126       1.6275      0.00000
    127       1.6922      0.00000
    128       1.7746      0.00000
    129       1.8614      0.00000
    130       2.0792      0.00000
    131       2.1653      0.00000
    132       2.3191      0.00000
    133       2.3925      0.00000
    134       2.4236      0.00000
    135       2.5561      0.00000
    136       2.6247      0.00000
    137       2.6860      0.00000
    138       2.7471      0.00000
    139       2.8164      0.00000
    140       2.9079      0.00000
    141       3.0510      0.00000
    142       3.0617      0.00000
    143       3.1821      0.00000
    144       3.2810      0.00000
    145       3.3785      0.00000
    146       3.4137      0.00000
    147       3.4597      0.00000
    148       3.5463      0.00000
    149       3.5724      0.00000
    150       3.6339      0.00000
    151       3.6641      0.00000
    152       3.7014      0.00000
    153       3.7857      0.00000
    154       3.7983      0.00000
    155       3.8241      0.00000
    156       3.8929      0.00000
    157       3.9069      0.00000
    158       3.9794      0.00000
    159       4.1880      0.00000
    160       4.2335      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0400   -7.2555    3.9847   -1.1327   -0.1857   17.3766    0.4904   -0.8143    0.7718   -0.4772
x    -3.1250   -0.0255   -0.0212   -0.0254    0.0910   -3.0537    0.0298   -0.0244    0.0084    0.0018
x    -0.0954   -0.0029    0.0035   -0.0031    0.0022   -0.0242    0.0000    0.0000   -0.0001    0.0001
x    -0.0035   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0400    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0034    0.0000    0.0004    0.0007    0.0028   -0.0985   -0.0316    0.0620    0.0183
y     0.0233   -3.2427   -0.1784    0.1699   -2.4130   -0.6649
z   204.0400    1.7389    0.2893    0.0890   -0.0013    0.0777   -0.0019    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1048    0.0015   -0.0010   -0.0001    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0013   -0.0001    0.0001    0.0000
z    -0.0001    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  -16.6957
z     0.1384    0.2299   -0.0310    0.0576   -0.0903    0.0006
 total charge-density along one line
x   212.0000  -10.0866    5.9314   -1.9416   -0.4213   19.2951   -0.6587    0.2078    0.0670   -0.1069
x    -2.7050   -0.0092    0.0011   -0.0443    0.0966   -2.3450    0.0473   -0.0345    0.0118    0.0024
x    -0.0855   -0.0054    0.0083   -0.0079    0.0054   -0.0375    0.0000   -0.0001    0.0003   -0.0004
x    -0.0054    0.0000   -0.0002    0.0001    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  -10.0866    5.9314   -1.9416   -0.4213   19.2952   -0.6587    0.2078    0.0670   -0.1069
y    -2.7050   -0.0092    0.0011   -0.0443    0.0966   -2.3450    0.0473   -0.0345    0.0118    0.0024
y    -0.0855   -0.0054    0.0083   -0.0079    0.0054   -0.0375    0.0000   -0.0001    0.0003   -0.0004
y    -0.0054    0.0000   -0.0002    0.0001    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 -205.3081  188.8772 -170.1731  154.0893 -140.4063  126.4995 -111.0186   94.7495  -79.0860
z    64.7215  -51.7876   40.5545  -31.5052   24.7847  -19.8603   15.8618  -12.2150    8.9096   -6.2236
z     4.2922   -2.9597    1.9615   -1.1532    0.5427   -0.1573   -0.0609    0.2213   -0.3836    0.5186
z    -0.5686    0.5252   -0.4414    0.3769   -0.3478    0.3292   -0.2950    0.2452   -0.1976    0.1643
z    -0.1415    0.1197   -0.0959    0.0749   -0.0611    0.0533   -0.0469    0.0392   -0.0314    0.0258
z    -0.0227    0.0203   -0.0173    0.0141   -0.0113    0.0093   -0.0076    0.0058   -0.0043    0.0032
z    -0.0022    0.0013   -0.0004   -0.0002    0.0004   -0.0004    0.0005   -0.0008    0.0009   -0.0007
z     0.0004   -0.0002    0.0001   -0.0001    0.0000    0.0001   -0.0003    0.0003   -0.0004    0.0003
z    -0.0003    0.0003   -0.0002    0.0002   -0.0002    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001
z     0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 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
-10.941   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.269   0.000  -0.101   0.000   0.000   0.239   0.000
  0.041   0.000 -11.246   0.000  -0.024  -0.006   0.000   0.238
  0.000  -0.101   0.000 -11.153   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.938   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.238   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.226   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.199   0.000   0.000   0.000
  0.036   0.000   0.101   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.025   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.941   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.269   0.000  -0.101   0.000   0.000   0.239   0.000
  0.041   0.000 -11.246   0.000  -0.024  -0.006   0.000   0.238
  0.000  -0.101   0.000 -11.153   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.938   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.238   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.226   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.199   0.000   0.000   0.000
  0.036   0.000   0.101   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.025   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.960   0.000  -0.027   0.000   0.002   0.021   0.000   0.057   0.000  -0.014  -0.026   0.025   0.000  -0.001   0.000   0.000
  0.000   1.587   0.000  -0.146   0.000   0.000   0.594   0.000   0.259   0.000   0.000   0.000   0.160   0.000   0.106  -0.035
 -0.027   0.000   1.788   0.000   0.019   0.044   0.000   0.356   0.000  -0.027  -0.233  -0.044   0.000   0.096   0.000   0.000
  0.000  -0.146   0.000   1.755   0.000   0.000   0.259   0.000   0.295   0.000   0.000   0.000   0.108   0.000   0.038   0.005
  0.002   0.000   0.019   0.000   1.966  -0.014   0.000  -0.035   0.000   0.003   0.010  -0.015   0.000   0.003   0.000   0.000
  0.021   0.000   0.044   0.000  -0.014   0.063   0.000   0.101   0.000  -0.024   0.191  -0.052   0.000   0.116   0.000   0.000
  0.000   0.594   0.000   0.259   0.000   0.000   0.329   0.000   0.106   0.000   0.000   0.000   0.056   0.000   0.066  -0.011
  0.057   0.000   0.356   0.000  -0.035   0.101   0.000   0.566   0.000  -0.057   0.703  -0.293   0.000   0.087   0.000   0.000
  0.000   0.259   0.000   0.295   0.000   0.000   0.106   0.000   0.207   0.000   0.000   0.000   0.065   0.000  -0.020  -0.006
 -0.014   0.000  -0.027   0.000   0.003  -0.024   0.000  -0.057   0.000   0.036  -0.109   0.030   0.000  -0.068   0.000   0.000
 -0.026   0.000  -0.233   0.000   0.010   0.191   0.000   0.703   0.000  -0.109   1.352  -0.433   0.000   0.265   0.000   0.000
  0.025   0.000  -0.044   0.000  -0.015  -0.052   0.000  -0.293   0.000   0.030  -0.433   0.193   0.000  -0.034   0.000   0.000
  0.000   0.160   0.000   0.108   0.000   0.000   0.056   0.000   0.065   0.000   0.000   0.000   0.043   0.000   0.012  -0.004
 -0.001   0.000   0.096   0.000   0.003   0.116   0.000   0.087   0.000  -0.068   0.265  -0.034   0.000   0.311   0.000   0.000
  0.000   0.106   0.000   0.038   0.000   0.000   0.066   0.000  -0.020   0.000   0.000   0.000   0.012   0.000   0.031  -0.002
  0.000  -0.035   0.000   0.005   0.000   0.000  -0.011   0.000  -0.006   0.000   0.000   0.000  -0.004   0.000  -0.002   0.001
  0.001   0.000  -0.037   0.000  -0.001  -0.005   0.000  -0.009   0.000   0.003  -0.007   0.000   0.000  -0.014   0.000   0.000
  0.000   0.005   0.000  -0.041   0.000   0.000  -0.006   0.000  -0.004   0.000   0.000   0.000  -0.002   0.000  -0.002   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        0.639   0.278   8.027   8.943
  2        0.514   0.028   0.000   0.542
  3        0.514   0.028   0.000   0.542
  4        0.864   1.783   0.000   2.647
  5        0.864   1.783   0.000   2.646
  6        0.864   1.782   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   1.783   0.000   2.647
 10        0.864   1.784   0.000   2.648
 11        0.863   1.783   0.000   2.646
 12        0.864   1.784   0.000   2.648
 13        0.864   1.783   0.000   2.646
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.863   1.777   0.000   2.640
 17        0.856   1.772   0.000   2.629
 18        0.864   1.784   0.000   2.647
 19        0.864   1.782   0.000   2.646
 20        0.864   1.782   0.000   2.645
 21        0.863   1.781   0.000   2.644
 22        0.863   1.776   0.000   2.639
 23        0.863   1.783   0.000   2.646
 24        0.864   1.783   0.000   2.646
 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   1.783   0.000   2.647
 29        0.864   1.783   0.000   2.646
 30        0.864   1.783   0.000   2.647
 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   1.782   0.000   2.646
 35        0.863   1.783   0.000   2.646
 36        0.863   1.776   0.000   2.639
 37        0.863   1.781   0.000   2.644
 38        0.864   1.782   0.000   2.645
 39        0.864   1.784   0.000   2.648
 40        0.864   1.784   0.000   2.647
 41        0.856   1.772   0.000   2.629
 42        0.863   1.777   0.000   2.640
 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   2.646
 46        0.864   1.784   0.000   2.648
 47        0.863   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   1.783   0.000   2.647
 51        0.864   1.784   0.000   2.648
 52        0.864   1.782   0.000   2.646
 53        0.864   1.783   0.000   2.646
------------------------------------------------
tot       44.832  89.435   8.027 142.293
 


 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  114.01: CPU time   57.57
    FORLOC:  VPU time    1.26: CPU time    1.25
    FORNL :  VPU time  442.67: CPU time  222.57
    STRESS:  VPU time 1381.92: CPU time  694.58
    FORCOR:  VPU time    8.77: CPU time    8.77
    FORHAR:  VPU time    2.31: CPU time    2.30
    MIXING:  VPU time    0.18: CPU time    0.18
 d Force =-0.7641508E-05[-0.686E-05,-0.842E-05]  d Energy =-0.2286633E-04 0.152E-04
 d Force =-0.6157040E-01[-0.616E-01,-0.616E-01]  d Ewald  = 0.1015881E+00-0.163E+00


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.644746 eV

  energy  without entropy=     -471.644746  energy(sigma->0) =     -471.644746
 

  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    40729.44  40746.28 -47430.85     14.59      0.00      0.00
  Hartree  40195.62  40199.41 -39450.03      3.29      0.00      0.00
  E(xc)     -779.74   -779.55   -807.27      0.17      0.00      0.00
  Local   -83218.33 -83232.79  84198.33    -12.53      0.00      0.00
  n-local   -215.78   -215.66   -203.79     -0.15      0.00      0.00
  augment     22.09     20.54     17.35     -1.35      0.00      0.00
  Kinetic   3168.77   3171.36   3582.14     -6.22      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.22     -0.25     -0.19     -0.03      0.00      0.00
  in kB       -0.13     -0.15     -0.12     -0.02      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
    12.347497553  0.001969691  0.000000000     0.080980615  0.046737025  0.000000000
    -6.172049617 10.694227451  0.000000000    -0.000014915  0.093499783  0.000000000
     0.000000000  0.000000000 19.976372147     0.000000000  0.000000000  0.050059140

  length of vectors
    12.347497710 12.347497611 19.976372147     0.093499783  0.093499784  0.050059140


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.404E-05 -.457E-04 -.960E+03   0.435E-05 -.275E-04 0.968E+03   -.169E-20 0.000E+00 -.785E+01   -.905E-07 0.536E-07 -.263E-02
   -.175E+02 -.304E+02 -.136E+03   0.184E+02 0.318E+02 0.139E+03   -.829E+00 -.144E+01 -.258E+01   0.165E-03 0.284E-03 -.135E-03
   0.175E+02 0.304E+02 -.136E+03   -.184E+02 -.318E+02 0.139E+03   0.829E+00 0.144E+01 -.258E+01   -.165E-03 -.284E-03 -.135E-03
   -.196E+01 0.113E+01 0.169E+02   0.197E+01 -.114E+01 -.169E+02   -.792E-02 0.457E-02 -.703E-02   -.682E-03 0.391E-03 0.308E-03
   0.580E+01 0.690E+01 0.196E+02   -.580E+01 -.694E+01 -.196E+02   0.710E-02 0.324E-01 -.209E-01   -.405E-03 0.308E-03 0.327E-03
   0.113E+02 0.504E+01 0.183E+02   -.113E+02 -.505E+01 -.183E+02   0.241E-01 0.834E-02 -.557E-01   -.387E-03 0.415E-03 0.142E-03
   0.454E+01 -.103E+01 0.164E+02   -.456E+01 0.105E+01 -.164E+02   0.210E-01 -.176E-01 -.286E-02   -.432E-03 0.223E-03 0.257E-04
   -.292E+01 -.240E+01 0.149E+02   0.293E+01 0.242E+01 -.149E+02   -.132E-01 -.154E-01 -.268E-02   -.587E-03 0.230E-03 0.139E-03
   0.623E+00 0.373E+01 0.149E+02   -.626E+00 -.375E+01 -.149E+02   0.667E-02 0.192E-01 -.268E-02   -.498E-03 0.387E-03 0.135E-03
   0.275E+01 0.182E+02 0.245E+02   -.275E+01 -.183E+02 -.245E+02   0.109E-01 0.111E+00 -.110E-01   -.612E-03 0.505E-03 0.249E-03
   0.215E+02 0.226E+02 0.400E+02   -.216E+02 -.229E+02 -.400E+02   0.118E+00 0.228E+00 -.145E-01   -.342E-03 0.223E-03 0.501E-03
   0.265E+02 -.450E+01 0.271E+02   -.268E+02 0.462E+01 -.270E+02   0.238E+00 -.120E+00 -.555E-01   -.511E-03 0.242E-03 -.846E-04
   0.917E+01 -.530E+01 0.154E+02   -.919E+01 0.531E+01 -.155E+02   0.196E-01 -.113E-01 0.121E-02   -.487E-03 0.275E-03 0.528E-05
   0.316E+01 -.342E+01 0.164E+02   -.319E+01 0.343E+01 -.164E+02   0.257E-01 -.938E-02 -.286E-02   -.412E-03 0.259E-03 0.173E-04
   -.604E+01 0.132E+02 0.201E+02   0.604E+01 -.133E+02 -.201E+02   -.526E-02 0.750E-01 -.759E-02   -.587E-03 0.402E-03 0.414E-04
   -.123E+02 0.335E+02 0.462E+02   0.124E+02 -.342E+02 -.466E+02   -.897E-01 0.681E+00 0.353E+00   -.724E-03 0.269E-03 0.280E-03
   0.265E+02 -.153E+02 0.696E+02   -.275E+02 0.159E+02 -.717E+02   0.978E+00 -.565E+00 0.210E+01   -.259E-03 0.147E-03 0.396E-03
   0.172E+02 -.207E+02 0.271E+02   -.174E+02 0.209E+02 -.270E+02   0.223E+00 -.146E+00 -.555E-01   -.467E-03 0.314E-03 -.895E-04
   0.127E+01 -.123E+02 0.183E+02   -.127E+01 0.123E+02 -.183E+02   0.482E-02 -.250E-01 -.557E-01   -.550E-03 0.127E-03 0.137E-03
   -.386E+01 0.156E+01 0.144E+02   0.387E+01 -.156E+01 -.143E+02   -.602E-02 0.217E-02 -.404E-01   -.579E-03 0.297E-03 0.597E-04
   -.182E+02 0.105E+02 0.210E+02   0.183E+02 -.106E+02 -.209E+02   -.628E-01 0.363E-01 -.128E+00   -.702E-03 0.409E-03 -.139E-03
   -.352E+02 -.612E+01 0.462E+02   0.358E+02 0.638E+01 -.466E+02   -.635E+00 -.263E+00 0.353E+00   -.592E-03 0.492E-03 0.283E-03
   -.888E+01 -.299E+02 0.400E+02   0.902E+01 0.301E+02 -.400E+02   -.138E+00 -.216E+00 -.145E-01   -.361E-03 0.181E-03 0.499E-03
   -.308E+01 -.848E+01 0.196E+02   0.311E+01 0.850E+01 -.196E+02   -.245E-01 -.224E-01 -.209E-01   -.468E-03 0.195E-03 0.326E-03
   0.127E+01 -.735E+00 0.146E+02   -.127E+01 0.733E+00 -.146E+02   -.933E-03 0.539E-03 -.317E-01   -.443E-03 0.258E-03 0.222E-03
   -.328E+01 0.256E+01 0.144E+02   0.329E+01 -.257E+01 -.143E+02   -.489E-02 0.413E-02 -.404E-01   -.545E-03 0.358E-03 0.645E-04
   -.144E+02 -.136E+01 0.201E+02   0.145E+02 0.139E+01 -.201E+02   -.676E-01 -.330E-01 -.759E-02   -.640E-03 0.306E-03 0.491E-04
   -.144E+02 -.115E+02 0.245E+02   0.145E+02 0.115E+02 -.245E+02   -.903E-01 -.647E-01 -.110E-01   -.742E-03 0.272E-03 0.252E-03
   0.308E+01 0.848E+01 0.196E+02   -.311E+01 -.850E+01 -.196E+02   0.245E-01 0.224E-01 -.209E-01   0.468E-03 -.195E-03 0.326E-03
   0.144E+02 0.115E+02 0.245E+02   -.145E+02 -.115E+02 -.245E+02   0.903E-01 0.647E-01 -.110E-01   0.742E-03 -.272E-03 0.252E-03
   0.144E+02 0.136E+01 0.201E+02   -.145E+02 -.139E+01 -.201E+02   0.676E-01 0.330E-01 -.759E-02   0.640E-03 -.306E-03 0.491E-04
   0.328E+01 -.256E+01 0.144E+02   -.329E+01 0.257E+01 -.143E+02   0.489E-02 -.413E-02 -.404E-01   0.545E-03 -.358E-03 0.645E-04
   -.127E+01 0.735E+00 0.146E+02   0.127E+01 -.733E+00 -.146E+02   0.933E-03 -.539E-03 -.317E-01   0.443E-03 -.258E-03 0.222E-03
   -.127E+01 0.123E+02 0.183E+02   0.127E+01 -.123E+02 -.183E+02   -.482E-02 0.250E-01 -.557E-01   0.550E-03 -.127E-03 0.137E-03
   0.888E+01 0.299E+02 0.400E+02   -.902E+01 -.301E+02 -.400E+02   0.138E+00 0.216E+00 -.145E-01   0.361E-03 -.181E-03 0.499E-03
   0.352E+02 0.612E+01 0.462E+02   -.358E+02 -.638E+01 -.466E+02   0.635E+00 0.263E+00 0.353E+00   0.592E-03 -.492E-03 0.283E-03
   0.182E+02 -.105E+02 0.210E+02   -.183E+02 0.106E+02 -.209E+02   0.628E-01 -.363E-01 -.128E+00   0.702E-03 -.409E-03 -.139E-03
   0.386E+01 -.156E+01 0.144E+02   -.387E+01 0.156E+01 -.143E+02   0.602E-02 -.217E-02 -.404E-01   0.579E-03 -.297E-03 0.597E-04
   -.316E+01 0.342E+01 0.164E+02   0.319E+01 -.343E+01 -.164E+02   -.257E-01 0.938E-02 -.286E-02   0.412E-03 -.259E-03 0.173E-04
   -.172E+02 0.207E+02 0.271E+02   0.174E+02 -.209E+02 -.270E+02   -.223E+00 0.146E+00 -.555E-01   0.467E-03 -.314E-03 -.895E-04
   -.265E+02 0.153E+02 0.696E+02   0.275E+02 -.159E+02 -.717E+02   -.978E+00 0.565E+00 0.210E+01   0.259E-03 -.147E-03 0.396E-03
   0.123E+02 -.335E+02 0.462E+02   -.124E+02 0.342E+02 -.466E+02   0.897E-01 -.681E+00 0.353E+00   0.724E-03 -.269E-03 0.280E-03
   0.604E+01 -.132E+02 0.201E+02   -.604E+01 0.133E+02 -.201E+02   0.526E-02 -.750E-01 -.759E-02   0.587E-03 -.402E-03 0.414E-04
   -.623E+00 -.373E+01 0.149E+02   0.626E+00 0.375E+01 -.149E+02   -.667E-02 -.192E-01 -.268E-02   0.498E-03 -.387E-03 0.135E-03
   -.917E+01 0.530E+01 0.154E+02   0.919E+01 -.531E+01 -.155E+02   -.196E-01 0.113E-01 0.121E-02   0.487E-03 -.275E-03 0.527E-05
   -.265E+02 0.450E+01 0.271E+02   0.268E+02 -.462E+01 -.270E+02   -.238E+00 0.120E+00 -.555E-01   0.511E-03 -.242E-03 -.846E-04
   -.215E+02 -.226E+02 0.400E+02   0.216E+02 0.229E+02 -.400E+02   -.118E+00 -.228E+00 -.145E-01   0.342E-03 -.223E-03 0.501E-03
   -.275E+01 -.182E+02 0.245E+02   0.275E+01 0.183E+02 -.245E+02   -.109E-01 -.111E+00 -.110E-01   0.612E-03 -.505E-03 0.249E-03
   0.196E+01 -.113E+01 0.169E+02   -.197E+01 0.114E+01 -.169E+02   0.792E-02 -.457E-02 -.703E-02   0.682E-03 -.391E-03 0.308E-03
   0.292E+01 0.240E+01 0.149E+02   -.293E+01 -.242E+01 -.149E+02   0.132E-01 0.154E-01 -.268E-02   0.587E-03 -.230E-03 0.139E-03
   -.454E+01 0.103E+01 0.164E+02   0.456E+01 -.105E+01 -.164E+02   -.210E-01 0.176E-01 -.286E-02   0.432E-03 -.223E-03 0.257E-04
   -.113E+02 -.504E+01 0.183E+02   0.113E+02 0.505E+01 -.183E+02   -.241E-01 -.834E-02 -.557E-01   0.387E-03 -.415E-03 0.142E-03
   -.580E+01 -.690E+01 0.196E+02   0.580E+01 0.694E+01 -.196E+02   -.710E-02 -.324E-01 -.209E-01   0.405E-03 -.308E-03 0.327E-03
 -----------------------------------------------------------------------------------------------
   -.182E-02 0.308E-03 0.857E+01   -.494E-12 0.101E-12 0.199E-12   -.937E-16 0.153E-15 -.858E+01   -.376E-07 0.188E-07 0.540E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85309      6.06092     12.33220         0.000000      0.000000      0.017574
      2.26032      6.76626     13.65157         0.005686      0.009848      0.012833
      1.44586      5.35558     13.65157        -0.005686     -0.009848      0.012833
      0.00052     -0.00030      9.95767         0.003009     -0.001737     -0.003626
     11.11226      2.13966      9.95949         0.002905     -0.003077     -0.004347
      9.87683      4.27919      9.97097         0.000238     -0.001403     -0.001411
      8.64353      6.41854      9.96989         0.002010     -0.000434     -0.000227
     -4.93605      8.55549      9.96576         0.002791     -0.001744     -0.002445
      2.47020     -0.00103      9.96576         0.002906     -0.001545     -0.002445
      1.23474      2.13610      9.97070         0.003523      0.001002     -0.002699
     -0.00389      4.27496      9.99865         0.002706     -0.003796      0.003803
     -1.23833      6.41607     10.00464         0.002970     -0.002552      0.002563
     -2.46696      8.55510      9.97818         0.004663     -0.002692     -0.001139
      4.93860      0.00141      9.96989         0.001380     -0.001524     -0.000227
      3.70494      2.13658      9.97768         0.001165      0.000382      0.002002
      2.47082      4.26315     10.04226         0.004573     -0.000091      0.002458
      1.22847      6.42154     10.11471         0.005680     -0.003279     -0.009487
     -0.00019      8.56058     10.00464         0.003695     -0.001296      0.002563
      7.40798      0.00301      9.97097         0.001334      0.000495     -0.001411
      6.17349      2.14026      9.97105         0.002062     -0.001927     -0.001048
      4.94047      4.27842      9.99906         0.003595     -0.002076     -0.001768
      3.71886      6.42483     10.04226         0.002365     -0.003915      0.002458
      2.47128      8.56209      9.99865         0.004640     -0.000445      0.003803
      9.87858      0.00287      9.95949         0.004117     -0.000978     -0.004347
      8.64277      2.14090      9.96226         0.002497     -0.001442     -0.002904
      7.40868      4.27967      9.97105         0.002699     -0.000822     -0.001048
      6.17759      6.41934      9.97768         0.000252     -0.001200      0.002002
      4.94290      8.55883      9.97070         0.000893     -0.003552     -0.002699
     -0.00036      1.42474      9.95949        -0.004117      0.000978     -0.004347
     -1.23673      3.56300      9.97070        -0.000893      0.003552     -0.002699
     -2.47142      5.70250      9.97768        -0.000252      0.001200      0.002002
     -3.70250      7.84217      9.97105        -0.002699      0.000822     -0.001048
     -4.93659      9.98094      9.96226        -0.002497      0.001442     -0.002904
      2.47024      1.42459      9.97097        -0.001334     -0.000495     -0.001411
      1.23490      3.55974      9.99865        -0.004640      0.000445      0.003803
     -0.01269      5.69700     10.04226        -0.002365      0.003915      0.002458
     -1.23430      7.84342      9.99906        -0.003595      0.002076     -0.001768
     -2.46732      9.98157      9.97105        -0.002062      0.001927     -0.001048
      4.93962      1.42620      9.96989        -0.001380      0.001524     -0.000227
      3.70637      3.56125     10.00464        -0.003695      0.001296      0.002563
      2.47770      5.70029     10.11471        -0.005680      0.003279     -0.009487
      1.23536      7.85868     10.04226        -0.004573      0.000091      0.002458
      0.00123      9.98526      9.97768        -0.001165     -0.000382      0.002002
      7.40803      1.42864      9.96576        -0.002906      0.001545     -0.002445
      6.17314      3.56674      9.97818        -0.004663      0.002692     -0.001139
      4.94450      5.70576     10.00464        -0.002970      0.002552      0.002563
      3.71007      7.84687      9.99865        -0.002706      0.003796      0.003803
      2.47143      9.98573      9.97070        -0.003523     -0.001002     -0.002699
      9.87770      1.42791      9.95767        -0.003009      0.001737     -0.003626
      8.64223      3.56634      9.96576        -0.002791      0.001744     -0.002445
      7.41014      5.70526      9.96989        -0.002010      0.000434     -0.000227
      6.17684      7.84461      9.97097        -0.000238      0.001403     -0.001411
      4.94141      9.98414      9.95949        -0.002905      0.003077     -0.004347
 -----------------------------------------------------------------------------------
    total drift:                               -0.001817      0.000308     -0.008908


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




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


    WAVPRE:  VPU time    1.97: CPU time    1.97
    FEWALD:  VPU time    0.02: CPU time    0.01
    GENKIN:  VPU time    1.36: CPU time    1.36
    ORTHCH:  VPU time  189.89: CPU time   95.18
     LOOP+:  VPU time 5206.90: CPU time 2682.65


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


    POTLOK:  VPU time    9.24: CPU time    9.18
    SETDIJ:  VPU time    0.35: CPU time    0.34
    EDDAV :  VPU time 1368.18: CPU time  705.16
 BZINTS: Fermi energy: -3.153630;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  114.32: CPU time   57.59
    MIXING:  VPU time    0.16: CPU time    0.16
    ------------------------------------------
      LOOP:  VPU time 1492.33: CPU time  772.46

 eigenvalue-minimisations  :  3968
 total energy-change (2. order) :-0.4716448E+03  (-0.3715318E-05)
 number of electron  212.0000029 magnetization    0.0000000
 augmentation part     7.9600481 magnetization   -0.0000001

 Broyden mixing:
  rms(total) = 0.29174E-03    rms(broyden)= 0.29170E-03
  rms(prec ) = 0.31181E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34044.93607698
  -1/2 Hartree   DENC   =    -40945.03662347
  -V(xc)+E(xc)   XCENC  =       726.60814575
  PAW double counting   =      4092.86120499    -4131.24586035
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.20754813
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64475062 eV

  energy without entropy =     -471.64475062  energy(sigma->0) =     -471.64475062


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




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


    POTLOK:  VPU time    9.07: CPU time    9.06
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1410.93: CPU time  726.59
 BZINTS: Fermi energy: -3.153325;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1420.40: CPU time  736.03

 eigenvalue-minimisations  :  4160
 total energy-change (2. order) :-0.2637480E-06  (-0.3257128E-06)
 number of electron  212.0000029 magnetization    0.0000000
 augmentation part     7.9600481 magnetization   -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34044.93607698
  -1/2 Hartree   DENC   =    -40945.03940163
  -V(xc)+E(xc)   XCENC  =       726.60822054
  PAW double counting   =      4092.86320413    -4131.24787606
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.20482845
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64475089 eV

  energy without entropy =     -471.64475089  energy(sigma->0) =     -471.64475089


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




 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 -58.5417       2 -39.9852       3 -39.9852       4 -58.2440       5 -58.2485
       6 -58.2557       7 -58.2466       8 -58.2447       9 -58.2447      10 -58.2606
      11 -58.3154      12 -58.2923      13 -58.2498      14 -58.2466      15 -58.2576
      16 -58.4379      17 -58.7320      18 -58.2923      19 -58.2557      20 -58.2502
      21 -58.2773      22 -58.4379      23 -58.3154      24 -58.2485      25 -58.2434
      26 -58.2502      27 -58.2576      28 -58.2606      29 -58.2484      30 -58.2605
      31 -58.2574      32 -58.2501      33 -58.2433      34 -58.2556      35 -58.3153
      36 -58.4378      37 -58.2772      38 -58.2501      39 -58.2465      40 -58.2922
      41 -58.7319      42 -58.4378      43 -58.2575      44 -58.2446      45 -58.2496
      46 -58.2922      47 -58.3153      48 -58.2605      49 -58.2439      50 -58.2446
      51 -58.2465      52 -58.2556      53 -58.2484
 
 
 
 E-fermi :  -3.1533     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     -22.3559      1.00000
      2     -21.5364      1.00000
      3     -21.4064      1.00000
      4     -21.4055      1.00000
      5     -21.3743      1.00000
      6     -21.3652      1.00000
      7     -21.3579      1.00000
      8     -19.6459      1.00000
      9     -19.5717      1.00000
     10     -19.5647      1.00000
     11     -19.5581      1.00000
     12     -19.5397      1.00000
     13     -19.5368      1.00000
     14     -18.7278      1.00000
     15     -18.6792      1.00000
     16     -18.6718      1.00000
     17     -18.6582      1.00000
     18     -18.6426      1.00000
     19     -18.6408      1.00000
     20     -16.5859      1.00000
     21     -16.5261      1.00000
     22     -16.5236      1.00000
     23     -16.5105      1.00000
     24     -16.4865      1.00000
     25     -16.4847      1.00000
     26     -15.5580      1.00000
     27     -15.5260      1.00000
     28     -15.5251      1.00000
     29     -15.4996      1.00000
     30     -15.4941      1.00000
     31     -15.4885      1.00000
     32     -14.2061      1.00000
     33     -14.1800      1.00000
     34     -14.1669      1.00000
     35     -14.1648      1.00000
     36     -14.1593      1.00000
     37     -14.1480      1.00000
     38     -11.8842      1.00000
     39     -11.8076      1.00000
     40     -11.7920      1.00000
     41     -11.7916      1.00000
     42     -11.7883      1.00000
     43     -11.7828      1.00000
     44     -11.7044      1.00000
     45     -11.6975      1.00000
     46     -11.6723      1.00000
     47     -11.6576      1.00000
     48     -11.6571      1.00000
     49     -11.6500      1.00000
     50     -10.6748      1.00000
     51     -10.3287      1.00000
     52     -10.3210      1.00000
     53     -10.3054      1.00000
     54     -10.3035      1.00000
     55     -10.2906      1.00000
     56     -10.2773      1.00000
     57      -9.9286      1.00000
     58      -9.3726      1.00000
     59      -9.3590      1.00000
     60      -9.2997      1.00000
     61      -9.2915      1.00000
     62      -9.2847      1.00000
     63      -9.0919      1.00000
     64      -9.0544      1.00000
     65      -9.0487      1.00000
     66      -9.0268      1.00000
     67      -9.0062      1.00000
     68      -9.0012      1.00000
     69      -9.0000      1.00000
     70      -8.9952      1.00000
     71      -8.9915      1.00000
     72      -8.9723      1.00000
     73      -8.9647      1.00000
     74      -8.9534      1.00000
     75      -8.5012      1.00000
     76      -7.5157      1.00000
     77      -7.4104      1.00000
     78      -7.4098      1.00000
     79      -7.4010      1.00000
     80      -7.3835      1.00000
     81      -7.3634      1.00000
     82      -7.3412      1.00000
     83      -7.3082      1.00000
     84      -7.2689      1.00000
     85      -7.2062      1.00000
     86      -7.1797      1.00000
     87      -7.1794      1.00000
     88      -7.0750      1.00000
     89      -6.5095      1.00000
     90      -6.4612      1.00000
     91      -6.3549      1.00000
     92      -6.2930      1.00000
     93      -6.2873      1.00000
     94      -6.2861      1.00000
     95      -5.8964      1.00000
     96      -5.8850      1.00000
     97      -5.0507      1.00000
     98      -4.9381      1.00000
     99      -4.5399      1.00000
    100      -4.3402      1.00000
    101      -4.3177      1.00000
    102      -4.3167      1.00000
    103      -4.1152      1.00000
    104      -3.9132      1.00000
    105      -3.9012      1.00000
    106      -3.8352      1.00000
    107      -1.6813      0.00000
    108      -1.6676      0.00000
    109      -1.5368      0.00000
    110      -1.5349      0.00000
    111      -1.5219      0.00000
    112      -1.5088      0.00000
    113      -0.5843      0.00000
    114       0.1344      0.00000
    115       0.2058      0.00000
    116       0.3250      0.00000
    117       0.3268      0.00000
    118       0.3342      0.00000
    119       0.4965      0.00000
    120       0.5970      0.00000
    121       1.2597      0.00000
    122       1.2751      0.00000
    123       1.5287      0.00000
    124       1.7955      0.00000
    125       1.8043      0.00000
    126       1.8078      0.00000
    127       1.8125      0.00000
    128       1.9464      0.00000
    129       1.9809      0.00000
    130       2.0321      0.00000
    131       2.0455      0.00000
    132       2.0507      0.00000
    133       2.0552      0.00000
    134       2.0615      0.00000
    135       2.3084      0.00000
    136       2.3239      0.00000
    137       2.6133      0.00000
    138       2.6214      0.00000
    139       2.6498      0.00000
    140       2.7262      0.00000
    141       2.8619      0.00000
    142       3.0253      0.00000
    143       3.0546      0.00000
    144       3.0852      0.00000
    145       3.0995      0.00000
    146       3.1011      0.00000
    147       3.1017      0.00000
    148       3.2338      0.00000
    149       3.4508      0.00000
    150       3.5393      0.00000
    151       3.7846      0.00000
    152       3.9433      0.00000
    153       3.9439      0.00000
    154       3.9547      0.00000
    155       3.9588      0.00000
    156       3.9972      0.00000
    157       4.1827      0.00000
    158       4.2708      0.00000
    159       4.2884      0.00000
    160       4.2886      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3193      1.00000
      2     -21.7608      1.00000
      3     -21.5701      1.00000
      4     -21.5372      1.00000
      5     -21.2073      1.00000
      6     -21.1623      1.00000
      7     -20.9866      1.00000
      8     -20.1013      1.00000
      9     -20.0570      1.00000
     10     -19.5458      1.00000
     11     -19.5210      1.00000
     12     -19.3486      1.00000
     13     -19.0244      1.00000
     14     -18.9890      1.00000
     15     -18.9810      1.00000
     16     -18.9686      1.00000
     17     -18.2970      1.00000
     18     -18.2775      1.00000
     19     -17.9516      1.00000
     20     -17.0094      1.00000
     21     -16.9591      1.00000
     22     -16.8783      1.00000
     23     -16.8682      1.00000
     24     -16.4044      1.00000
     25     -16.3895      1.00000
     26     -15.5512      1.00000
     27     -15.5354      1.00000
     28     -15.1973      1.00000
     29     -15.1687      1.00000
     30     -15.1144      1.00000
     31     -15.0273      1.00000
     32     -15.0026      1.00000
     33     -14.6357      1.00000
     34     -14.6239      1.00000
     35     -13.6670      1.00000
     36     -13.6515      1.00000
     37     -13.1694      1.00000
     38     -12.5508      1.00000
     39     -12.5175      1.00000
     40     -12.3907      1.00000
     41     -12.3776      1.00000
     42     -12.0571      1.00000
     43     -12.0339      1.00000
     44     -11.6589      1.00000
     45     -11.6164      1.00000
     46     -11.1805      1.00000
     47     -11.1566      1.00000
     48     -10.9650      1.00000
     49     -10.9405      1.00000
     50     -10.8733      1.00000
     51     -10.8367      1.00000
     52     -10.6029      1.00000
     53     -10.0936      1.00000
     54     -10.0887      1.00000
     55     -10.0467      1.00000
     56      -9.9706      1.00000
     57      -9.6540      1.00000
     58      -9.6292      1.00000
     59      -9.5914      1.00000
     60      -9.5294      1.00000
     61      -9.5102      1.00000
     62      -9.4785      1.00000
     63      -9.2645      1.00000
     64      -9.2411      1.00000
     65      -9.2205      1.00000
     66      -9.1655      1.00000
     67      -9.0681      1.00000
     68      -9.0469      1.00000
     69      -9.0403      1.00000
     70      -8.8824      1.00000
     71      -8.8056      1.00000
     72      -8.5786      1.00000
     73      -8.5221      1.00000
     74      -8.4612      1.00000
     75      -8.0352      1.00000
     76      -7.8119      1.00000
     77      -7.8068      1.00000
     78      -7.7921      1.00000
     79      -7.6997      1.00000
     80      -7.6906      1.00000
     81      -7.3646      1.00000
     82      -7.2737      1.00000
     83      -7.2639      1.00000
     84      -7.2160      1.00000
     85      -7.1726      1.00000
     86      -7.0084      1.00000
     87      -6.9468      1.00000
     88      -6.7471      1.00000
     89      -6.6720      1.00000
     90      -6.5938      1.00000
     91      -6.5589      1.00000
     92      -6.0506      1.00000
     93      -6.0474      1.00000
     94      -6.0217      1.00000
     95      -5.9581      1.00000
     96      -5.7363      1.00000
     97      -5.1580      1.00000
     98      -4.9906      1.00000
     99      -4.7188      1.00000
    100      -4.6106      1.00000
    101      -4.4401      1.00000
    102      -4.3740      1.00000
    103      -4.1225      1.00000
    104      -3.8683      1.00000
    105      -3.8350      1.00000
    106      -3.7904      1.00000
    107      -1.7850      0.00000
    108      -1.7382      0.00000
    109      -1.3944      0.00000
    110      -1.3458      0.00000
    111      -1.2639      0.00000
    112      -1.2258      0.00000
    113      -0.7446      0.00000
    114      -0.3788      0.00000
    115      -0.2197      0.00000
    116      -0.0178      0.00000
    117       0.5914      0.00000
    118       0.7370      0.00000
    119       0.7641      0.00000
    120       1.0500      0.00000
    121       1.1417      0.00000
    122       1.2511      0.00000
    123       1.2728      0.00000
    124       1.4150      0.00000
    125       1.4802      0.00000
    126       1.5873      0.00000
    127       1.7581      0.00000
    128       1.8408      0.00000
    129       1.8967      0.00000
    130       1.9597      0.00000
    131       2.1080      0.00000
    132       2.2371      0.00000
    133       2.2500      0.00000
    134       2.2971      0.00000
    135       2.4885      0.00000
    136       2.6154      0.00000
    137       2.6382      0.00000
    138       2.7680      0.00000
    139       2.7989      0.00000
    140       2.8566      0.00000
    141       2.8672      0.00000
    142       2.8926      0.00000
    143       2.9599      0.00000
    144       3.0842      0.00000
    145       3.2817      0.00000
    146       3.3084      0.00000
    147       3.3745      0.00000
    148       3.4082      0.00000
    149       3.4668      0.00000
    150       3.5873      0.00000
    151       3.6373      0.00000
    152       3.6692      0.00000
    153       3.7069      0.00000
    154       3.9069      0.00000
    155       3.9432      0.00000
    156       3.9826      0.00000
    157       4.0867      0.00000
    158       4.2050      0.00000
    159       4.2434      0.00000
    160       4.2984      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2137      1.00000
      2     -22.0074      1.00000
      3     -21.6488      1.00000
      4     -21.6116      1.00000
      5     -20.9126      1.00000
      6     -20.8660      1.00000
      7     -20.5453      1.00000
      8     -20.5058      1.00000
      9     -20.4954      1.00000
     10     -19.9631      1.00000
     11     -19.4420      1.00000
     12     -19.4147      1.00000
     13     -19.2412      1.00000
     14     -19.2266      1.00000
     15     -18.3838      1.00000
     16     -18.3394      1.00000
     17     -17.8597      1.00000
     18     -17.8384      1.00000
     19     -17.6976      1.00000
     20     -17.6548      1.00000
     21     -17.3718      1.00000
     22     -17.3555      1.00000
     23     -17.2740      1.00000
     24     -16.4009      1.00000
     25     -16.3860      1.00000
     26     -15.8962      1.00000
     27     -15.3521      1.00000
     28     -15.3368      1.00000
     29     -15.0342      1.00000
     30     -15.0204      1.00000
     31     -14.7994      1.00000
     32     -14.7744      1.00000
     33     -14.2216      1.00000
     34     -14.1896      1.00000
     35     -13.3708      1.00000
     36     -13.3370      1.00000
     37     -13.1196      1.00000
     38     -13.1020      1.00000
     39     -12.9160      1.00000
     40     -12.9024      1.00000
     41     -12.5565      1.00000
     42     -12.5383      1.00000
     43     -12.1331      1.00000
     44     -11.5218      1.00000
     45     -11.4733      1.00000
     46     -11.2534      1.00000
     47     -11.2193      1.00000
     48     -11.0795      1.00000
     49     -10.6602      1.00000
     50     -10.5884      1.00000
     51     -10.5238      1.00000
     52     -10.2578      1.00000
     53     -10.2485      1.00000
     54     -10.1227      1.00000
     55     -10.0484      1.00000
     56     -10.0407      1.00000
     57      -9.7700      1.00000
     58      -9.7056      1.00000
     59      -9.6795      1.00000
     60      -9.6298      1.00000
     61      -9.6263      1.00000
     62      -9.5874      1.00000
     63      -9.2945      1.00000
     64      -9.2853      1.00000
     65      -9.2528      1.00000
     66      -9.0892      1.00000
     67      -8.8972      1.00000
     68      -8.8826      1.00000
     69      -8.7245      1.00000
     70      -8.5896      1.00000
     71      -8.5137      1.00000
     72      -8.3306      1.00000
     73      -8.3024      1.00000
     74      -8.2644      1.00000
     75      -8.2324      1.00000
     76      -8.1947      1.00000
     77      -8.1855      1.00000
     78      -8.1703      1.00000
     79      -8.1024      1.00000
     80      -7.6884      1.00000
     81      -7.3575      1.00000
     82      -7.3102      1.00000
     83      -7.2644      1.00000
     84      -7.1878      1.00000
     85      -7.1253      1.00000
     86      -7.0767      1.00000
     87      -6.9068      1.00000
     88      -6.8822      1.00000
     89      -6.5489      1.00000
     90      -6.4926      1.00000
     91      -6.2095      1.00000
     92      -6.0702      1.00000
     93      -5.9421      1.00000
     94      -5.7158      1.00000
     95      -5.6330      1.00000
     96      -5.4525      1.00000
     97      -5.3052      1.00000
     98      -5.2339      1.00000
     99      -5.1519      1.00000
    100      -5.1513      1.00000
    101      -4.5237      1.00000
    102      -4.4711      1.00000
    103      -4.1441      1.00000
    104      -3.8381      1.00000
    105      -3.7572      1.00000
    106      -3.6792      1.00000
    107      -1.8708      0.00000
    108      -1.8237      0.00000
    109      -1.2769      0.00000
    110      -1.0357      0.00000
    111      -1.0116      0.00000
    112      -0.7120      0.00000
    113      -0.6396      0.00000
    114      -0.5880      0.00000
    115      -0.5459      0.00000
    116      -0.2013      0.00000
    117       0.2527      0.00000
    118       0.2788      0.00000
    119       0.7617      0.00000
    120       0.9465      0.00000
    121       1.1328      0.00000
    122       1.2266      0.00000
    123       1.3211      0.00000
    124       1.4136      0.00000
    125       1.6017      0.00000
    126       1.6341      0.00000
    127       1.7021      0.00000
    128       1.8251      0.00000
    129       1.9211      0.00000
    130       2.0132      0.00000
    131       2.1079      0.00000
    132       2.3301      0.00000
    133       2.3962      0.00000
    134       2.4337      0.00000
    135       2.5428      0.00000
    136       2.6348      0.00000
    137       2.7559      0.00000
    138       2.8222      0.00000
    139       2.8336      0.00000
    140       2.8874      0.00000
    141       3.0418      0.00000
    142       3.0907      0.00000
    143       3.1880      0.00000
    144       3.2406      0.00000
    145       3.3887      0.00000
    146       3.4232      0.00000
    147       3.4818      0.00000
    148       3.5741      0.00000
    149       3.6017      0.00000
    150       3.6280      0.00000
    151       3.6521      0.00000
    152       3.7432      0.00000
    153       3.7727      0.00000
    154       3.7887      0.00000
    155       3.8073      0.00000
    156       3.8980      0.00000
    157       3.9778      0.00000
    158       4.0115      0.00000
    159       4.1770      0.00000
    160       4.2397      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2475      1.00000
      2     -21.8932      1.00000
      3     -21.8225      1.00000
      4     -21.3112      1.00000
      5     -21.2808      1.00000
      6     -20.7700      1.00000
      7     -20.7041      1.00000
      8     -20.5557      1.00000
      9     -20.0082      1.00000
     10     -20.0009      1.00000
     11     -19.6474      1.00000
     12     -19.6230      1.00000
     13     -18.9289      1.00000
     14     -18.9205      1.00000
     15     -18.5700      1.00000
     16     -18.5560      1.00000
     17     -18.3934      1.00000
     18     -17.6146      1.00000
     19     -17.5582      1.00000
     20     -17.5531      1.00000
     21     -17.5116      1.00000
     22     -17.0553      1.00000
     23     -17.0375      1.00000
     24     -16.8908      1.00000
     25     -15.9291      1.00000
     26     -15.8667      1.00000
     27     -15.5160      1.00000
     28     -15.5150      1.00000
     29     -15.2279      1.00000
     30     -14.7941      1.00000
     31     -14.7666      1.00000
     32     -14.5149      1.00000
     33     -14.4708      1.00000
     34     -14.1011      1.00000
     35     -14.0900      1.00000
     36     -13.0758      1.00000
     37     -13.0326      1.00000
     38     -12.9665      1.00000
     39     -12.9544      1.00000
     40     -12.6449      1.00000
     41     -12.6384      1.00000
     42     -12.2735      1.00000
     43     -12.2421      1.00000
     44     -11.5873      1.00000
     45     -11.5600      1.00000
     46     -11.5057      1.00000
     47     -10.9045      1.00000
     48     -10.8503      1.00000
     49     -10.6218      1.00000
     50     -10.5589      1.00000
     51     -10.4850      1.00000
     52     -10.4330      1.00000
     53     -10.4232      1.00000
     54     -10.3707      1.00000
     55     -10.2936      1.00000
     56     -10.0652      1.00000
     57      -9.8328      1.00000
     58      -9.5483      1.00000
     59      -9.4882      1.00000
     60      -9.4719      1.00000
     61      -9.3456      1.00000
     62      -9.3301      1.00000
     63      -9.3101      1.00000
     64      -9.3081      1.00000
     65      -9.2140      1.00000
     66      -9.1116      1.00000
     67      -9.0801      1.00000
     68      -9.0489      1.00000
     69      -8.8485      1.00000
     70      -8.7923      1.00000
     71      -8.7734      1.00000
     72      -8.5266      1.00000
     73      -8.4756      1.00000
     74      -8.2229      1.00000
     75      -8.1097      1.00000
     76      -8.0988      1.00000
     77      -7.8077      1.00000
     78      -7.7841      1.00000
     79      -7.7817      1.00000
     80      -7.6733      1.00000
     81      -7.6313      1.00000
     82      -7.6301      1.00000
     83      -7.4007      1.00000
     84      -7.3244      1.00000
     85      -7.2004      1.00000
     86      -6.8392      1.00000
     87      -6.8288      1.00000
     88      -6.6626      1.00000
     89      -6.5382      1.00000
     90      -6.3447      1.00000
     91      -6.3074      1.00000
     92      -6.1837      1.00000
     93      -6.1470      1.00000
     94      -5.9772      1.00000
     95      -5.5725      1.00000
     96      -5.4259      1.00000
     97      -5.2585      1.00000
     98      -5.2520      1.00000
     99      -5.1489      1.00000
    100      -4.6956      1.00000
    101      -4.6649      1.00000
    102      -4.3492      1.00000
    103      -4.3166      1.00000
    104      -3.9652      1.00000
    105      -3.8316      1.00000
    106      -3.3890      1.00000
    107      -2.2199      0.00000
    108      -1.3766      0.00000
    109      -1.2862      0.00000
    110      -1.1729      0.00000
    111      -1.0775      0.00000
    112      -0.8936      0.00000
    113      -0.7678      0.00000
    114      -0.7570      0.00000
    115      -0.2169      0.00000
    116       0.1140      0.00000
    117       0.2640      0.00000
    118       0.3461      0.00000
    119       0.7354      0.00000
    120       0.9038      0.00000
    121       0.9721      0.00000
    122       1.0954      0.00000
    123       1.2100      0.00000
    124       1.5303      0.00000
    125       1.5643      0.00000
    126       1.7169      0.00000
    127       1.8389      0.00000
    128       1.8626      0.00000
    129       1.9703      0.00000
    130       2.0003      0.00000
    131       2.1600      0.00000
    132       2.2693      0.00000
    133       2.4569      0.00000
    134       2.4690      0.00000
    135       2.5073      0.00000
    136       2.6665      0.00000
    137       2.6871      0.00000
    138       2.7335      0.00000
    139       2.7441      0.00000
    140       2.8938      0.00000
    141       3.0237      0.00000
    142       3.0827      0.00000
    143       3.1943      0.00000
    144       3.2556      0.00000
    145       3.2591      0.00000
    146       3.2704      0.00000
    147       3.3602      0.00000
    148       3.4834      0.00000
    149       3.5304      0.00000
    150       3.6982      0.00000
    151       3.7590      0.00000
    152       3.7707      0.00000
    153       3.8360      0.00000
    154       3.8804      0.00000
    155       3.9439      0.00000
    156       3.9841      0.00000
    157       4.0232      0.00000
    158       4.0502      0.00000
    159       4.0567      0.00000
    160       4.0958      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1415      1.00000
      2     -22.0463      1.00000
      3     -21.8861      1.00000
      4     -21.3341      1.00000
      5     -20.9813      1.00000
      6     -20.9427      1.00000
      7     -20.4330      1.00000
      8     -20.3902      1.00000
      9     -20.2261      1.00000
     10     -20.2047      1.00000
     11     -19.8886      1.00000
     12     -19.8210      1.00000
     13     -18.8144      1.00000
     14     -18.7433      1.00000
     15     -18.2896      1.00000
     16     -18.2360      1.00000
     17     -18.0855      1.00000
     18     -18.0653      1.00000
     19     -17.7612      1.00000
     20     -17.7187      1.00000
     21     -17.1885      1.00000
     22     -17.1695      1.00000
     23     -17.0993      1.00000
     24     -17.0633      1.00000
     25     -16.0376      1.00000
     26     -15.8224      1.00000
     27     -15.7993      1.00000
     28     -15.7642      1.00000
     29     -15.1734      1.00000
     30     -14.4907      1.00000
     31     -14.4579      1.00000
     32     -14.2176      1.00000
     33     -13.8949      1.00000
     34     -13.8899      1.00000
     35     -13.7557      1.00000
     36     -13.7356      1.00000
     37     -13.5514      1.00000
     38     -13.5026      1.00000
     39     -13.2996      1.00000
     40     -12.5640      1.00000
     41     -12.1250      1.00000
     42     -12.0656      1.00000
     43     -12.0096      1.00000
     44     -11.9511      1.00000
     45     -11.6109      1.00000
     46     -11.5879      1.00000
     47     -11.0851      1.00000
     48     -11.0515      1.00000
     49     -10.7532      1.00000
     50     -10.6635      1.00000
     51     -10.5272      1.00000
     52     -10.1488      1.00000
     53     -10.1379      1.00000
     54     -10.0956      1.00000
     55      -9.9528      1.00000
     56      -9.9476      1.00000
     57      -9.9168      1.00000
     58      -9.7373      1.00000
     59      -9.7313      1.00000
     60      -9.7004      1.00000
     61      -9.6907      1.00000
     62      -9.4297      1.00000
     63      -9.3626      1.00000
     64      -9.0870      1.00000
     65      -9.0067      1.00000
     66      -8.9743      1.00000
     67      -8.8875      1.00000
     68      -8.8110      1.00000
     69      -8.6582      1.00000
     70      -8.6350      1.00000
     71      -8.5789      1.00000
     72      -8.4778      1.00000
     73      -8.4671      1.00000
     74      -8.3979      1.00000
     75      -8.3939      1.00000
     76      -8.1835      1.00000
     77      -8.1144      1.00000
     78      -7.9768      1.00000
     79      -7.9155      1.00000
     80      -7.8468      1.00000
     81      -7.6180      1.00000
     82      -7.5297      1.00000
     83      -7.4688      1.00000
     84      -7.2574      1.00000
     85      -6.9348      1.00000
     86      -6.8576      1.00000
     87      -6.8110      1.00000
     88      -6.5752      1.00000
     89      -6.4667      1.00000
     90      -6.4200      1.00000
     91      -6.3563      1.00000
     92      -6.0526      1.00000
     93      -5.8780      1.00000
     94      -5.7529      1.00000
     95      -5.7214      1.00000
     96      -5.4774      1.00000
     97      -5.3463      1.00000
     98      -5.1800      1.00000
     99      -5.1559      1.00000
    100      -5.1543      1.00000
    101      -4.7077      1.00000
    102      -4.4413      1.00000
    103      -4.2565      1.00000
    104      -3.9969      1.00000
    105      -3.8304      1.00000
    106      -3.1556      1.00000
    107      -2.4627      0.00000
    108      -1.3786      0.00000
    109      -1.2410      0.00000
    110      -1.1459      0.00000
    111      -1.1142      0.00000
    112      -0.5631      0.00000
    113      -0.4344      0.00000
    114      -0.4294      0.00000
    115      -0.3098      0.00000
    116      -0.1897      0.00000
    117       0.0620      0.00000
    118       0.1175      0.00000
    119       0.5406      0.00000
    120       0.6843      0.00000
    121       0.8724      0.00000
    122       0.9694      0.00000
    123       1.1124      0.00000
    124       1.4966      0.00000
    125       1.6633      0.00000
    126       1.8043      0.00000
    127       1.8776      0.00000
    128       2.0941      0.00000
    129       2.1392      0.00000
    130       2.1979      0.00000
    131       2.2155      0.00000
    132       2.3404      0.00000
    133       2.3625      0.00000
    134       2.4889      0.00000
    135       2.5816      0.00000
    136       2.6697      0.00000
    137       2.8797      0.00000
    138       2.9379      0.00000
    139       2.9668      0.00000
    140       2.9915      0.00000
    141       3.0412      0.00000
    142       3.1513      0.00000
    143       3.1816      0.00000
    144       3.2457      0.00000
    145       3.2913      0.00000
    146       3.3330      0.00000
    147       3.3502      0.00000
    148       3.3805      0.00000
    149       3.4143      0.00000
    150       3.4970      0.00000
    151       3.5549      0.00000
    152       3.6343      0.00000
    153       3.6954      0.00000
    154       3.7105      0.00000
    155       3.7270      0.00000
    156       3.9211      0.00000
    157       3.9358      0.00000
    158       4.0599      0.00000
    159       4.0907      0.00000
    160       4.2030      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2473      1.00000
      2     -21.8947      1.00000
      3     -21.8210      1.00000
      4     -21.3158      1.00000
      5     -21.2769      1.00000
      6     -20.7710      1.00000
      7     -20.7020      1.00000
      8     -20.5540      1.00000
      9     -20.0224      1.00000
     10     -19.9899      1.00000
     11     -19.6499      1.00000
     12     -19.6187      1.00000
     13     -18.9430      1.00000
     14     -18.9081      1.00000
     15     -18.5837      1.00000
     16     -18.5461      1.00000
     17     -18.3916      1.00000
     18     -17.6016      1.00000
     19     -17.5701      1.00000
     20     -17.5407      1.00000
     21     -17.5079      1.00000
     22     -17.0741      1.00000
     23     -17.0270      1.00000
     24     -16.8997      1.00000
     25     -15.9451      1.00000
     26     -15.8508      1.00000
     27     -15.5328      1.00000
     28     -15.5061      1.00000
     29     -15.2089      1.00000
     30     -14.8135      1.00000
     31     -14.7609      1.00000
     32     -14.5090      1.00000
     33     -14.4674      1.00000
     34     -14.0959      1.00000
     35     -14.0928      1.00000
     36     -13.1044      1.00000
     37     -13.0291      1.00000
     38     -12.9562      1.00000
     39     -12.9491      1.00000
     40     -12.6555      1.00000
     41     -12.6268      1.00000
     42     -12.2737      1.00000
     43     -12.2468      1.00000
     44     -11.5729      1.00000
     45     -11.5533      1.00000
     46     -11.5002      1.00000
     47     -10.8778      1.00000
     48     -10.8690      1.00000
     49     -10.6833      1.00000
     50     -10.5245      1.00000
     51     -10.5204      1.00000
     52     -10.4333      1.00000
     53     -10.4153      1.00000
     54     -10.3696      1.00000
     55     -10.2873      1.00000
     56     -10.0608      1.00000
     57      -9.8315      1.00000
     58      -9.5587      1.00000
     59      -9.4841      1.00000
     60      -9.4448      1.00000
     61      -9.3557      1.00000
     62      -9.3385      1.00000
     63      -9.3072      1.00000
     64      -9.3019      1.00000
     65      -9.2057      1.00000
     66      -9.0992      1.00000
     67      -9.0681      1.00000
     68      -9.0489      1.00000
     69      -8.8517      1.00000
     70      -8.7968      1.00000
     71      -8.7775      1.00000
     72      -8.5266      1.00000
     73      -8.4973      1.00000
     74      -8.2280      1.00000
     75      -8.1295      1.00000
     76      -8.0925      1.00000
     77      -7.8065      1.00000
     78      -7.7670      1.00000
     79      -7.7388      1.00000
     80      -7.7032      1.00000
     81      -7.6349      1.00000
     82      -7.6246      1.00000
     83      -7.3879      1.00000
     84      -7.3442      1.00000
     85      -7.2198      1.00000
     86      -6.8433      1.00000
     87      -6.8203      1.00000
     88      -6.6402      1.00000
     89      -6.5293      1.00000
     90      -6.3408      1.00000
     91      -6.2729      1.00000
     92      -6.1953      1.00000
     93      -6.1317      1.00000
     94      -6.0213      1.00000
     95      -5.6381      1.00000
     96      -5.5086      1.00000
     97      -5.2975      1.00000
     98      -5.1558      1.00000
     99      -5.0403      1.00000
    100      -4.7268      1.00000
    101      -4.6854      1.00000
    102      -4.3680      1.00000
    103      -4.1859      1.00000
    104      -4.0101      1.00000
    105      -3.8299      1.00000
    106      -3.4837      1.00000
    107      -2.1640      0.00000
    108      -1.3831      0.00000
    109      -1.2354      0.00000
    110      -1.1844      0.00000
    111      -1.0138      0.00000
    112      -0.9555      0.00000
    113      -0.7971      0.00000
    114      -0.7518      0.00000
    115      -0.3646      0.00000
    116       0.2453      0.00000
    117       0.2768      0.00000
    118       0.3649      0.00000
    119       0.7015      0.00000
    120       0.8693      0.00000
    121       0.9659      0.00000
    122       1.1278      0.00000
    123       1.2370      0.00000
    124       1.4569      0.00000
    125       1.5570      0.00000
    126       1.7830      0.00000
    127       1.8516      0.00000
    128       1.8838      0.00000
    129       1.9874      0.00000
    130       2.0325      0.00000
    131       2.1982      0.00000
    132       2.2132      0.00000
    133       2.4037      0.00000
    134       2.4534      0.00000
    135       2.5545      0.00000
    136       2.6586      0.00000
    137       2.6851      0.00000
    138       2.7295      0.00000
    139       2.7682      0.00000
    140       2.8560      0.00000
    141       2.9670      0.00000
    142       3.0821      0.00000
    143       3.1901      0.00000
    144       3.2419      0.00000
    145       3.2580      0.00000
    146       3.2960      0.00000
    147       3.3321      0.00000
    148       3.4833      0.00000
    149       3.5106      0.00000
    150       3.7146      0.00000
    151       3.7247      0.00000
    152       3.7709      0.00000
    153       3.8628      0.00000
    154       3.8759      0.00000
    155       3.8993      0.00000
    156       3.9984      0.00000
    157       3.9995      0.00000
    158       4.0519      0.00000
    159       4.0655      0.00000
    160       4.0985      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3193      1.00000
      2     -21.7611      1.00000
      3     -21.5674      1.00000
      4     -21.5401      1.00000
      5     -21.2046      1.00000
      6     -21.1656      1.00000
      7     -20.9852      1.00000
      8     -20.0983      1.00000
      9     -20.0593      1.00000
     10     -19.5459      1.00000
     11     -19.5258      1.00000
     12     -19.3443      1.00000
     13     -19.0277      1.00000
     14     -18.9877      1.00000
     15     -18.9771      1.00000
     16     -18.9714      1.00000
     17     -18.2956      1.00000
     18     -18.2821      1.00000
     19     -17.9457      1.00000
     20     -17.0002      1.00000
     21     -16.9591      1.00000
     22     -16.8822      1.00000
     23     -16.8693      1.00000
     24     -16.4159      1.00000
     25     -16.3929      1.00000
     26     -15.5406      1.00000
     27     -15.5372      1.00000
     28     -15.1725      1.00000
     29     -15.1709      1.00000
     30     -15.1305      1.00000
     31     -15.0358      1.00000
     32     -15.0004      1.00000
     33     -14.6332      1.00000
     34     -14.6261      1.00000
     35     -13.6627      1.00000
     36     -13.6526      1.00000
     37     -13.1704      1.00000
     38     -12.5728      1.00000
     39     -12.5128      1.00000
     40     -12.3852      1.00000
     41     -12.3846      1.00000
     42     -12.0352      1.00000
     43     -12.0309      1.00000
     44     -11.6551      1.00000
     45     -11.6145      1.00000
     46     -11.2065      1.00000
     47     -11.1570      1.00000
     48     -10.9549      1.00000
     49     -10.9417      1.00000
     50     -10.8605      1.00000
     51     -10.8279      1.00000
     52     -10.6258      1.00000
     53     -10.1469      1.00000
     54     -10.0838      1.00000
     55     -10.0245      1.00000
     56      -9.9461      1.00000
     57      -9.6308      1.00000
     58      -9.6293      1.00000
     59      -9.6029      1.00000
     60      -9.5408      1.00000
     61      -9.5028      1.00000
     62      -9.4784      1.00000
     63      -9.2728      1.00000
     64      -9.2348      1.00000
     65      -9.2066      1.00000
     66      -9.1797      1.00000
     67      -9.0619      1.00000
     68      -9.0465      1.00000
     69      -9.0428      1.00000
     70      -8.8766      1.00000
     71      -8.8088      1.00000
     72      -8.5368      1.00000
     73      -8.5331      1.00000
     74      -8.5021      1.00000
     75      -8.0306      1.00000
     76      -7.8325      1.00000
     77      -7.8006      1.00000
     78      -7.7736      1.00000
     79      -7.7026      1.00000
     80      -7.6841      1.00000
     81      -7.4144      1.00000
     82      -7.2870      1.00000
     83      -7.2509      1.00000
     84      -7.2031      1.00000
     85      -7.0822      1.00000
     86      -7.0751      1.00000
     87      -6.9382      1.00000
     88      -6.7116      1.00000
     89      -6.6743      1.00000
     90      -6.6288      1.00000
     91      -6.5569      1.00000
     92      -6.0715      1.00000
     93      -6.0312      1.00000
     94      -6.0015      1.00000
     95      -5.9369      1.00000
     96      -5.8008      1.00000
     97      -5.1828      1.00000
     98      -4.8961      1.00000
     99      -4.7939      1.00000
    100      -4.6106      1.00000
    101      -4.5123      1.00000
    102      -4.1405      1.00000
    103      -4.0919      1.00000
    104      -3.9307      1.00000
    105      -3.9168      1.00000
    106      -3.8289      1.00000
    107      -1.7515      0.00000
    108      -1.6955      0.00000
    109      -1.4101      0.00000
    110      -1.3707      0.00000
    111      -1.2641      0.00000
    112      -1.2357      0.00000
    113      -0.6229      0.00000
    114      -0.5979      0.00000
    115      -0.1902      0.00000
    116       0.0431      0.00000
    117       0.5850      0.00000
    118       0.7407      0.00000
    119       0.8501      0.00000
    120       0.9289      0.00000
    121       1.1677      0.00000
    122       1.2117      0.00000
    123       1.2478      0.00000
    124       1.4205      0.00000
    125       1.6000      0.00000
    126       1.6403      0.00000
    127       1.7057      0.00000
    128       1.8063      0.00000
    129       1.9229      0.00000
    130       1.9402      0.00000
    131       2.1508      0.00000
    132       2.1739      0.00000
    133       2.2619      0.00000
    134       2.3018      0.00000
    135       2.5436      0.00000
    136       2.5606      0.00000
    137       2.6357      0.00000
    138       2.7617      0.00000
    139       2.8099      0.00000
    140       2.8469      0.00000
    141       2.8938      0.00000
    142       2.9443      0.00000
    143       3.0160      0.00000
    144       3.0286      0.00000
    145       3.0888      0.00000
    146       3.3151      0.00000
    147       3.3704      0.00000
    148       3.4180      0.00000
    149       3.4791      0.00000
    150       3.6026      0.00000
    151       3.6564      0.00000
    152       3.6652      0.00000
    153       3.6796      0.00000
    154       3.8933      0.00000
    155       3.9801      0.00000
    156       4.0280      0.00000
    157       4.0746      0.00000
    158       4.2355      0.00000
    159       4.2562      0.00000
    160       4.2705      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1406      1.00000
      2     -22.0477      1.00000
      3     -21.8856      1.00000
      4     -21.3351      1.00000
      5     -20.9763      1.00000
      6     -20.9468      1.00000
      7     -20.4277      1.00000
      8     -20.3956      1.00000
      9     -20.2155      1.00000
     10     -20.2138      1.00000
     11     -19.8875      1.00000
     12     -19.8236      1.00000
     13     -18.8174      1.00000
     14     -18.7466      1.00000
     15     -18.2654      1.00000
     16     -18.2512      1.00000
     17     -18.0798      1.00000
     18     -18.0733      1.00000
     19     -17.7456      1.00000
     20     -17.7296      1.00000
     21     -17.1946      1.00000
     22     -17.1712      1.00000
     23     -17.0883      1.00000
     24     -17.0678      1.00000
     25     -16.0534      1.00000
     26     -15.8082      1.00000
     27     -15.7987      1.00000
     28     -15.7775      1.00000
     29     -15.1588      1.00000
     30     -14.4855      1.00000
     31     -14.4640      1.00000
     32     -14.2039      1.00000
     33     -13.9161      1.00000
     34     -13.8862      1.00000
     35     -13.7587      1.00000
     36     -13.7385      1.00000
     37     -13.5361      1.00000
     38     -13.5100      1.00000
     39     -13.3010      1.00000
     40     -12.5763      1.00000
     41     -12.1011      1.00000
     42     -12.0769      1.00000
     43     -11.9985      1.00000
     44     -11.9507      1.00000
     45     -11.6053      1.00000
     46     -11.5975      1.00000
     47     -11.0846      1.00000
     48     -11.0611      1.00000
     49     -10.7324      1.00000
     50     -10.6646      1.00000
     51     -10.5608      1.00000
     52     -10.1394      1.00000
     53     -10.1346      1.00000
     54     -10.1003      1.00000
     55      -9.9660      1.00000
     56      -9.9249      1.00000
     57      -9.9208      1.00000
     58      -9.7508      1.00000
     59      -9.7286      1.00000
     60      -9.6972      1.00000
     61      -9.6947      1.00000
     62      -9.4013      1.00000
     63      -9.3894      1.00000
     64      -9.0690      1.00000
     65      -8.9822      1.00000
     66      -8.9810      1.00000
     67      -8.9063      1.00000
     68      -8.8117      1.00000
     69      -8.6494      1.00000
     70      -8.6334      1.00000
     71      -8.5489      1.00000
     72      -8.5023      1.00000
     73      -8.4828      1.00000
     74      -8.3942      1.00000
     75      -8.3821      1.00000
     76      -8.2097      1.00000
     77      -8.1022      1.00000
     78      -8.0070      1.00000
     79      -7.9017      1.00000
     80      -7.8432      1.00000
     81      -7.6217      1.00000
     82      -7.5324      1.00000
     83      -7.4574      1.00000
     84      -7.2541      1.00000
     85      -6.9426      1.00000
     86      -6.8686      1.00000
     87      -6.8092      1.00000
     88      -6.4779      1.00000
     89      -6.4690      1.00000
     90      -6.4093      1.00000
     91      -6.3597      1.00000
     92      -6.1926      1.00000
     93      -5.8578      1.00000
     94      -5.7374      1.00000
     95      -5.7110      1.00000
     96      -5.5245      1.00000
     97      -5.3291      1.00000
     98      -5.1721      1.00000
     99      -5.1673      1.00000
    100      -5.1338      1.00000
    101      -4.6962      1.00000
    102      -4.3484      1.00000
    103      -4.2816      1.00000
    104      -4.0305      1.00000
    105      -3.8314      1.00000
    106      -3.2328      1.00000
    107      -2.4046      0.00000
    108      -1.3450      0.00000
    109      -1.2434      0.00000
    110      -1.1530      0.00000
    111      -1.1082      0.00000
    112      -0.5821      0.00000
    113      -0.5213      0.00000
    114      -0.4336      0.00000
    115      -0.2749      0.00000
    116      -0.0697      0.00000
    117      -0.0103      0.00000
    118       0.0601      0.00000
    119       0.5832      0.00000
    120       0.7109      0.00000
    121       0.8108      0.00000
    122       0.9456      0.00000
    123       1.1844      0.00000
    124       1.5111      0.00000
    125       1.6214      0.00000
    126       1.8607      0.00000
    127       2.0052      0.00000
    128       2.0520      0.00000
    129       2.1142      0.00000
    130       2.1530      0.00000
    131       2.2636      0.00000
    132       2.2860      0.00000
    133       2.3485      0.00000
    134       2.4629      0.00000
    135       2.6111      0.00000
    136       2.7018      0.00000
    137       2.8201      0.00000
    138       2.9152      0.00000
    139       2.9429      0.00000
    140       3.0145      0.00000
    141       3.0483      0.00000
    142       3.1578      0.00000
    143       3.1635      0.00000
    144       3.2245      0.00000
    145       3.2995      0.00000
    146       3.3117      0.00000
    147       3.3540      0.00000
    148       3.3738      0.00000
    149       3.4173      0.00000
    150       3.4509      0.00000
    151       3.5640      0.00000
    152       3.6138      0.00000
    153       3.7024      0.00000
    154       3.7269      0.00000
    155       3.8487      0.00000
    156       3.9053      0.00000
    157       3.9326      0.00000
    158       3.9614      0.00000
    159       4.1483      0.00000
    160       4.1829      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2133      1.00000
      2     -22.0080      1.00000
      3     -21.6461      1.00000
      4     -21.6147      1.00000
      5     -20.9097      1.00000
      6     -20.8688      1.00000
      7     -20.5390      1.00000
      8     -20.5063      1.00000
      9     -20.4995      1.00000
     10     -19.9621      1.00000
     11     -19.4407      1.00000
     12     -19.4188      1.00000
     13     -19.2398      1.00000
     14     -19.2326      1.00000
     15     -18.3759      1.00000
     16     -18.3407      1.00000
     17     -17.8587      1.00000
     18     -17.8426      1.00000
     19     -17.6911      1.00000
     20     -17.6550      1.00000
     21     -17.3721      1.00000
     22     -17.3578      1.00000
     23     -17.2669      1.00000
     24     -16.4135      1.00000
     25     -16.3897      1.00000
     26     -15.9043      1.00000
     27     -15.3435      1.00000
     28     -15.3385      1.00000
     29     -15.0311      1.00000
     30     -15.0212      1.00000
     31     -14.7762      1.00000
     32     -14.7739      1.00000
     33     -14.2373      1.00000
     34     -14.1866      1.00000
     35     -13.3874      1.00000
     36     -13.3330      1.00000
     37     -13.1112      1.00000
     38     -13.1029      1.00000
     39     -12.9176      1.00000
     40     -12.9119      1.00000
     41     -12.5454      1.00000
     42     -12.5375      1.00000
     43     -12.1331      1.00000
     44     -11.5140      1.00000
     45     -11.4693      1.00000
     46     -11.2449      1.00000
     47     -11.2131      1.00000
     48     -11.0862      1.00000
     49     -10.7072      1.00000
     50     -10.5956      1.00000
     51     -10.5094      1.00000
     52     -10.2511      1.00000
     53     -10.2469      1.00000
     54     -10.1220      1.00000
     55     -10.0543      1.00000
     56     -10.0386      1.00000
     57      -9.7852      1.00000
     58      -9.6867      1.00000
     59      -9.6731      1.00000
     60      -9.6373      1.00000
     61      -9.6275      1.00000
     62      -9.5854      1.00000
     63      -9.2955      1.00000
     64      -9.2832      1.00000
     65      -9.2533      1.00000
     66      -9.0662      1.00000
     67      -8.8947      1.00000
     68      -8.8834      1.00000
     69      -8.7183      1.00000
     70      -8.5823      1.00000
     71      -8.5263      1.00000
     72      -8.3509      1.00000
     73      -8.3049      1.00000
     74      -8.2434      1.00000
     75      -8.2379      1.00000
     76      -8.1947      1.00000
     77      -8.1812      1.00000
     78      -8.1696      1.00000
     79      -8.1090      1.00000
     80      -7.6899      1.00000
     81      -7.4195      1.00000
     82      -7.3432      1.00000
     83      -7.2576      1.00000
     84      -7.1683      1.00000
     85      -7.1103      1.00000
     86      -7.0041      1.00000
     87      -6.9038      1.00000
     88      -6.8474      1.00000
     89      -6.5422      1.00000
     90      -6.4981      1.00000
     91      -6.2146      1.00000
     92      -6.2019      1.00000
     93      -5.8943      1.00000
     94      -5.6740      1.00000
     95      -5.6086      1.00000
     96      -5.5802      1.00000
     97      -5.2531      1.00000
     98      -5.2311      1.00000
     99      -5.1647      1.00000
    100      -5.1343      1.00000
    101      -4.6004      1.00000
    102      -4.2514      1.00000
    103      -4.0469      1.00000
    104      -3.8843      1.00000
    105      -3.8433      1.00000
    106      -3.8007      1.00000
    107      -1.8076      0.00000
    108      -1.7800      0.00000
    109      -1.2249      0.00000
    110      -1.1752      0.00000
    111      -0.9737      0.00000
    112      -0.7341      0.00000
    113      -0.6498      0.00000
    114      -0.5936      0.00000
    115      -0.5495      0.00000
    116      -0.1511      0.00000
    117       0.1767      0.00000
    118       0.2882      0.00000
    119       0.7064      0.00000
    120       0.9505      0.00000
    121       1.1687      0.00000
    122       1.2782      0.00000
    123       1.3475      0.00000
    124       1.5132      0.00000
    125       1.6088      0.00000
    126       1.6281      0.00000
    127       1.6924      0.00000
    128       1.7750      0.00000
    129       1.8627      0.00000
    130       2.0794      0.00000
    131       2.1668      0.00000
    132       2.3190      0.00000
    133       2.3942      0.00000
    134       2.4240      0.00000
    135       2.5573      0.00000
    136       2.6254      0.00000
    137       2.6867      0.00000
    138       2.7470      0.00000
    139       2.8173      0.00000
    140       2.9084      0.00000
    141       3.0520      0.00000
    142       3.0623      0.00000
    143       3.1837      0.00000
    144       3.2825      0.00000
    145       3.3796      0.00000
    146       3.4151      0.00000
    147       3.4610      0.00000
    148       3.5459      0.00000
    149       3.5738      0.00000
    150       3.6350      0.00000
    151       3.6652      0.00000
    152       3.7015      0.00000
    153       3.7874      0.00000
    154       3.7993      0.00000
    155       3.8252      0.00000
    156       3.8943      0.00000
    157       3.9085      0.00000
    158       3.9814      0.00000
    159       4.1892      0.00000
    160       4.2353      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3559      1.00000
      2     -21.5364      1.00000
      3     -21.4064      1.00000
      4     -21.4055      1.00000
      5     -21.3743      1.00000
      6     -21.3652      1.00000
      7     -21.3579      1.00000
      8     -19.6459      1.00000
      9     -19.5717      1.00000
     10     -19.5647      1.00000
     11     -19.5581      1.00000
     12     -19.5397      1.00000
     13     -19.5368      1.00000
     14     -18.7278      1.00000
     15     -18.6792      1.00000
     16     -18.6718      1.00000
     17     -18.6582      1.00000
     18     -18.6426      1.00000
     19     -18.6408      1.00000
     20     -16.5859      1.00000
     21     -16.5261      1.00000
     22     -16.5236      1.00000
     23     -16.5105      1.00000
     24     -16.4865      1.00000
     25     -16.4847      1.00000
     26     -15.5580      1.00000
     27     -15.5260      1.00000
     28     -15.5251      1.00000
     29     -15.4996      1.00000
     30     -15.4941      1.00000
     31     -15.4885      1.00000
     32     -14.2061      1.00000
     33     -14.1800      1.00000
     34     -14.1669      1.00000
     35     -14.1648      1.00000
     36     -14.1593      1.00000
     37     -14.1480      1.00000
     38     -11.8842      1.00000
     39     -11.8076      1.00000
     40     -11.7920      1.00000
     41     -11.7916      1.00000
     42     -11.7883      1.00000
     43     -11.7828      1.00000
     44     -11.7044      1.00000
     45     -11.6975      1.00000
     46     -11.6723      1.00000
     47     -11.6576      1.00000
     48     -11.6571      1.00000
     49     -11.6500      1.00000
     50     -10.6748      1.00000
     51     -10.3287      1.00000
     52     -10.3210      1.00000
     53     -10.3054      1.00000
     54     -10.3035      1.00000
     55     -10.2906      1.00000
     56     -10.2773      1.00000
     57      -9.9286      1.00000
     58      -9.3726      1.00000
     59      -9.3590      1.00000
     60      -9.2997      1.00000
     61      -9.2915      1.00000
     62      -9.2847      1.00000
     63      -9.0919      1.00000
     64      -9.0544      1.00000
     65      -9.0487      1.00000
     66      -9.0268      1.00000
     67      -9.0062      1.00000
     68      -9.0012      1.00000
     69      -9.0000      1.00000
     70      -8.9952      1.00000
     71      -8.9915      1.00000
     72      -8.9723      1.00000
     73      -8.9647      1.00000
     74      -8.9534      1.00000
     75      -8.5012      1.00000
     76      -7.5157      1.00000
     77      -7.4104      1.00000
     78      -7.4098      1.00000
     79      -7.4010      1.00000
     80      -7.3835      1.00000
     81      -7.3634      1.00000
     82      -7.3412      1.00000
     83      -7.3082      1.00000
     84      -7.2689      1.00000
     85      -7.2062      1.00000
     86      -7.1797      1.00000
     87      -7.1794      1.00000
     88      -7.0750      1.00000
     89      -6.5095      1.00000
     90      -6.4612      1.00000
     91      -6.3549      1.00000
     92      -6.2930      1.00000
     93      -6.2873      1.00000
     94      -6.2861      1.00000
     95      -5.8964      1.00000
     96      -5.8850      1.00000
     97      -5.0507      1.00000
     98      -4.9381      1.00000
     99      -4.5399      1.00000
    100      -4.3402      1.00000
    101      -4.3177      1.00000
    102      -4.3167      1.00000
    103      -4.1152      1.00000
    104      -3.9132      1.00000
    105      -3.9012      1.00000
    106      -3.8352      1.00000
    107      -1.6813      0.00000
    108      -1.6676      0.00000
    109      -1.5368      0.00000
    110      -1.5349      0.00000
    111      -1.5219      0.00000
    112      -1.5088      0.00000
    113      -0.5843      0.00000
    114       0.1344      0.00000
    115       0.2058      0.00000
    116       0.3250      0.00000
    117       0.3268      0.00000
    118       0.3342      0.00000
    119       0.4965      0.00000
    120       0.5970      0.00000
    121       1.2597      0.00000
    122       1.2751      0.00000
    123       1.5287      0.00000
    124       1.7955      0.00000
    125       1.8043      0.00000
    126       1.8078      0.00000
    127       1.8125      0.00000
    128       1.9464      0.00000
    129       1.9809      0.00000
    130       2.0321      0.00000
    131       2.0455      0.00000
    132       2.0507      0.00000
    133       2.0552      0.00000
    134       2.0615      0.00000
    135       2.3084      0.00000
    136       2.3239      0.00000
    137       2.6133      0.00000
    138       2.6214      0.00000
    139       2.6498      0.00000
    140       2.7262      0.00000
    141       2.8619      0.00000
    142       3.0253      0.00000
    143       3.0545      0.00000
    144       3.0852      0.00000
    145       3.0995      0.00000
    146       3.1011      0.00000
    147       3.1017      0.00000
    148       3.2338      0.00000
    149       3.4508      0.00000
    150       3.5393      0.00000
    151       3.7846      0.00000
    152       3.9433      0.00000
    153       3.9439      0.00000
    154       3.9547      0.00000
    155       3.9588      0.00000
    156       3.9972      0.00000
    157       4.1827      0.00000
    158       4.2708      0.00000
    159       4.2884      0.00000
    160       4.2886      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3193      1.00000
      2     -21.7608      1.00000
      3     -21.5701      1.00000
      4     -21.5372      1.00000
      5     -21.2073      1.00000
      6     -21.1623      1.00000
      7     -20.9866      1.00000
      8     -20.1013      1.00000
      9     -20.0570      1.00000
     10     -19.5458      1.00000
     11     -19.5210      1.00000
     12     -19.3486      1.00000
     13     -19.0244      1.00000
     14     -18.9890      1.00000
     15     -18.9810      1.00000
     16     -18.9686      1.00000
     17     -18.2970      1.00000
     18     -18.2775      1.00000
     19     -17.9516      1.00000
     20     -17.0094      1.00000
     21     -16.9591      1.00000
     22     -16.8783      1.00000
     23     -16.8682      1.00000
     24     -16.4044      1.00000
     25     -16.3895      1.00000
     26     -15.5512      1.00000
     27     -15.5354      1.00000
     28     -15.1973      1.00000
     29     -15.1687      1.00000
     30     -15.1144      1.00000
     31     -15.0273      1.00000
     32     -15.0026      1.00000
     33     -14.6357      1.00000
     34     -14.6239      1.00000
     35     -13.6670      1.00000
     36     -13.6515      1.00000
     37     -13.1694      1.00000
     38     -12.5508      1.00000
     39     -12.5175      1.00000
     40     -12.3907      1.00000
     41     -12.3776      1.00000
     42     -12.0571      1.00000
     43     -12.0339      1.00000
     44     -11.6589      1.00000
     45     -11.6164      1.00000
     46     -11.1805      1.00000
     47     -11.1566      1.00000
     48     -10.9650      1.00000
     49     -10.9405      1.00000
     50     -10.8733      1.00000
     51     -10.8367      1.00000
     52     -10.6029      1.00000
     53     -10.0936      1.00000
     54     -10.0887      1.00000
     55     -10.0467      1.00000
     56      -9.9706      1.00000
     57      -9.6540      1.00000
     58      -9.6292      1.00000
     59      -9.5914      1.00000
     60      -9.5294      1.00000
     61      -9.5102      1.00000
     62      -9.4785      1.00000
     63      -9.2645      1.00000
     64      -9.2411      1.00000
     65      -9.2205      1.00000
     66      -9.1655      1.00000
     67      -9.0681      1.00000
     68      -9.0469      1.00000
     69      -9.0403      1.00000
     70      -8.8824      1.00000
     71      -8.8056      1.00000
     72      -8.5786      1.00000
     73      -8.5221      1.00000
     74      -8.4612      1.00000
     75      -8.0352      1.00000
     76      -7.8119      1.00000
     77      -7.8068      1.00000
     78      -7.7921      1.00000
     79      -7.6997      1.00000
     80      -7.6906      1.00000
     81      -7.3646      1.00000
     82      -7.2737      1.00000
     83      -7.2639      1.00000
     84      -7.2160      1.00000
     85      -7.1726      1.00000
     86      -7.0084      1.00000
     87      -6.9468      1.00000
     88      -6.7471      1.00000
     89      -6.6720      1.00000
     90      -6.5938      1.00000
     91      -6.5589      1.00000
     92      -6.0506      1.00000
     93      -6.0474      1.00000
     94      -6.0217      1.00000
     95      -5.9581      1.00000
     96      -5.7363      1.00000
     97      -5.1580      1.00000
     98      -4.9906      1.00000
     99      -4.7188      1.00000
    100      -4.6106      1.00000
    101      -4.4401      1.00000
    102      -4.3740      1.00000
    103      -4.1225      1.00000
    104      -3.8683      1.00000
    105      -3.8350      1.00000
    106      -3.7904      1.00000
    107      -1.7850      0.00000
    108      -1.7382      0.00000
    109      -1.3944      0.00000
    110      -1.3458      0.00000
    111      -1.2639      0.00000
    112      -1.2258      0.00000
    113      -0.7446      0.00000
    114      -0.3788      0.00000
    115      -0.2197      0.00000
    116      -0.0178      0.00000
    117       0.5914      0.00000
    118       0.7370      0.00000
    119       0.7641      0.00000
    120       1.0500      0.00000
    121       1.1417      0.00000
    122       1.2511      0.00000
    123       1.2728      0.00000
    124       1.4150      0.00000
    125       1.4802      0.00000
    126       1.5873      0.00000
    127       1.7581      0.00000
    128       1.8408      0.00000
    129       1.8967      0.00000
    130       1.9597      0.00000
    131       2.1080      0.00000
    132       2.2371      0.00000
    133       2.2500      0.00000
    134       2.2971      0.00000
    135       2.4885      0.00000
    136       2.6154      0.00000
    137       2.6381      0.00000
    138       2.7680      0.00000
    139       2.7989      0.00000
    140       2.8566      0.00000
    141       2.8672      0.00000
    142       2.8926      0.00000
    143       2.9599      0.00000
    144       3.0842      0.00000
    145       3.2817      0.00000
    146       3.3084      0.00000
    147       3.3745      0.00000
    148       3.4082      0.00000
    149       3.4668      0.00000
    150       3.5873      0.00000
    151       3.6372      0.00000
    152       3.6692      0.00000
    153       3.7069      0.00000
    154       3.9069      0.00000
    155       3.9432      0.00000
    156       3.9826      0.00000
    157       4.0867      0.00000
    158       4.2050      0.00000
    159       4.2434      0.00000
    160       4.2984      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2137      1.00000
      2     -22.0074      1.00000
      3     -21.6488      1.00000
      4     -21.6116      1.00000
      5     -20.9126      1.00000
      6     -20.8660      1.00000
      7     -20.5453      1.00000
      8     -20.5058      1.00000
      9     -20.4954      1.00000
     10     -19.9631      1.00000
     11     -19.4420      1.00000
     12     -19.4147      1.00000
     13     -19.2412      1.00000
     14     -19.2266      1.00000
     15     -18.3838      1.00000
     16     -18.3394      1.00000
     17     -17.8597      1.00000
     18     -17.8384      1.00000
     19     -17.6976      1.00000
     20     -17.6548      1.00000
     21     -17.3718      1.00000
     22     -17.3555      1.00000
     23     -17.2740      1.00000
     24     -16.4009      1.00000
     25     -16.3860      1.00000
     26     -15.8962      1.00000
     27     -15.3521      1.00000
     28     -15.3368      1.00000
     29     -15.0342      1.00000
     30     -15.0204      1.00000
     31     -14.7994      1.00000
     32     -14.7744      1.00000
     33     -14.2216      1.00000
     34     -14.1896      1.00000
     35     -13.3708      1.00000
     36     -13.3370      1.00000
     37     -13.1196      1.00000
     38     -13.1020      1.00000
     39     -12.9160      1.00000
     40     -12.9024      1.00000
     41     -12.5565      1.00000
     42     -12.5383      1.00000
     43     -12.1331      1.00000
     44     -11.5218      1.00000
     45     -11.4733      1.00000
     46     -11.2534      1.00000
     47     -11.2193      1.00000
     48     -11.0795      1.00000
     49     -10.6602      1.00000
     50     -10.5884      1.00000
     51     -10.5238      1.00000
     52     -10.2578      1.00000
     53     -10.2485      1.00000
     54     -10.1227      1.00000
     55     -10.0484      1.00000
     56     -10.0407      1.00000
     57      -9.7700      1.00000
     58      -9.7056      1.00000
     59      -9.6795      1.00000
     60      -9.6298      1.00000
     61      -9.6263      1.00000
     62      -9.5874      1.00000
     63      -9.2945      1.00000
     64      -9.2853      1.00000
     65      -9.2528      1.00000
     66      -9.0892      1.00000
     67      -8.8972      1.00000
     68      -8.8826      1.00000
     69      -8.7245      1.00000
     70      -8.5896      1.00000
     71      -8.5137      1.00000
     72      -8.3306      1.00000
     73      -8.3024      1.00000
     74      -8.2644      1.00000
     75      -8.2324      1.00000
     76      -8.1947      1.00000
     77      -8.1855      1.00000
     78      -8.1703      1.00000
     79      -8.1024      1.00000
     80      -7.6884      1.00000
     81      -7.3575      1.00000
     82      -7.3102      1.00000
     83      -7.2644      1.00000
     84      -7.1878      1.00000
     85      -7.1253      1.00000
     86      -7.0767      1.00000
     87      -6.9068      1.00000
     88      -6.8822      1.00000
     89      -6.5489      1.00000
     90      -6.4926      1.00000
     91      -6.2095      1.00000
     92      -6.0702      1.00000
     93      -5.9421      1.00000
     94      -5.7158      1.00000
     95      -5.6330      1.00000
     96      -5.4525      1.00000
     97      -5.3052      1.00000
     98      -5.2339      1.00000
     99      -5.1519      1.00000
    100      -5.1513      1.00000
    101      -4.5237      1.00000
    102      -4.4711      1.00000
    103      -4.1441      1.00000
    104      -3.8381      1.00000
    105      -3.7572      1.00000
    106      -3.6792      1.00000
    107      -1.8708      0.00000
    108      -1.8237      0.00000
    109      -1.2769      0.00000
    110      -1.0357      0.00000
    111      -1.0116      0.00000
    112      -0.7120      0.00000
    113      -0.6396      0.00000
    114      -0.5880      0.00000
    115      -0.5459      0.00000
    116      -0.2013      0.00000
    117       0.2527      0.00000
    118       0.2788      0.00000
    119       0.7617      0.00000
    120       0.9465      0.00000
    121       1.1328      0.00000
    122       1.2266      0.00000
    123       1.3211      0.00000
    124       1.4136      0.00000
    125       1.6017      0.00000
    126       1.6341      0.00000
    127       1.7021      0.00000
    128       1.8251      0.00000
    129       1.9211      0.00000
    130       2.0132      0.00000
    131       2.1079      0.00000
    132       2.3301      0.00000
    133       2.3962      0.00000
    134       2.4337      0.00000
    135       2.5428      0.00000
    136       2.6348      0.00000
    137       2.7559      0.00000
    138       2.8222      0.00000
    139       2.8336      0.00000
    140       2.8874      0.00000
    141       3.0418      0.00000
    142       3.0907      0.00000
    143       3.1880      0.00000
    144       3.2406      0.00000
    145       3.3887      0.00000
    146       3.4232      0.00000
    147       3.4818      0.00000
    148       3.5741      0.00000
    149       3.6017      0.00000
    150       3.6280      0.00000
    151       3.6521      0.00000
    152       3.7432      0.00000
    153       3.7727      0.00000
    154       3.7887      0.00000
    155       3.8073      0.00000
    156       3.8980      0.00000
    157       3.9778      0.00000
    158       4.0115      0.00000
    159       4.1770      0.00000
    160       4.2397      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2475      1.00000
      2     -21.8932      1.00000
      3     -21.8225      1.00000
      4     -21.3112      1.00000
      5     -21.2808      1.00000
      6     -20.7700      1.00000
      7     -20.7041      1.00000
      8     -20.5557      1.00000
      9     -20.0082      1.00000
     10     -20.0009      1.00000
     11     -19.6474      1.00000
     12     -19.6230      1.00000
     13     -18.9289      1.00000
     14     -18.9205      1.00000
     15     -18.5700      1.00000
     16     -18.5560      1.00000
     17     -18.3934      1.00000
     18     -17.6146      1.00000
     19     -17.5582      1.00000
     20     -17.5531      1.00000
     21     -17.5116      1.00000
     22     -17.0553      1.00000
     23     -17.0375      1.00000
     24     -16.8908      1.00000
     25     -15.9291      1.00000
     26     -15.8667      1.00000
     27     -15.5160      1.00000
     28     -15.5150      1.00000
     29     -15.2279      1.00000
     30     -14.7941      1.00000
     31     -14.7666      1.00000
     32     -14.5149      1.00000
     33     -14.4708      1.00000
     34     -14.1011      1.00000
     35     -14.0900      1.00000
     36     -13.0758      1.00000
     37     -13.0326      1.00000
     38     -12.9665      1.00000
     39     -12.9544      1.00000
     40     -12.6449      1.00000
     41     -12.6384      1.00000
     42     -12.2735      1.00000
     43     -12.2421      1.00000
     44     -11.5873      1.00000
     45     -11.5600      1.00000
     46     -11.5057      1.00000
     47     -10.9045      1.00000
     48     -10.8503      1.00000
     49     -10.6218      1.00000
     50     -10.5589      1.00000
     51     -10.4850      1.00000
     52     -10.4330      1.00000
     53     -10.4232      1.00000
     54     -10.3707      1.00000
     55     -10.2936      1.00000
     56     -10.0652      1.00000
     57      -9.8328      1.00000
     58      -9.5483      1.00000
     59      -9.4882      1.00000
     60      -9.4719      1.00000
     61      -9.3456      1.00000
     62      -9.3301      1.00000
     63      -9.3101      1.00000
     64      -9.3081      1.00000
     65      -9.2140      1.00000
     66      -9.1116      1.00000
     67      -9.0801      1.00000
     68      -9.0489      1.00000
     69      -8.8485      1.00000
     70      -8.7923      1.00000
     71      -8.7734      1.00000
     72      -8.5266      1.00000
     73      -8.4756      1.00000
     74      -8.2229      1.00000
     75      -8.1097      1.00000
     76      -8.0988      1.00000
     77      -7.8077      1.00000
     78      -7.7841      1.00000
     79      -7.7817      1.00000
     80      -7.6733      1.00000
     81      -7.6313      1.00000
     82      -7.6301      1.00000
     83      -7.4007      1.00000
     84      -7.3244      1.00000
     85      -7.2004      1.00000
     86      -6.8392      1.00000
     87      -6.8288      1.00000
     88      -6.6626      1.00000
     89      -6.5382      1.00000
     90      -6.3447      1.00000
     91      -6.3074      1.00000
     92      -6.1837      1.00000
     93      -6.1470      1.00000
     94      -5.9772      1.00000
     95      -5.5725      1.00000
     96      -5.4259      1.00000
     97      -5.2585      1.00000
     98      -5.2520      1.00000
     99      -5.1489      1.00000
    100      -4.6956      1.00000
    101      -4.6649      1.00000
    102      -4.3492      1.00000
    103      -4.3166      1.00000
    104      -3.9652      1.00000
    105      -3.8316      1.00000
    106      -3.3890      1.00000
    107      -2.2199      0.00000
    108      -1.3766      0.00000
    109      -1.2862      0.00000
    110      -1.1729      0.00000
    111      -1.0775      0.00000
    112      -0.8936      0.00000
    113      -0.7678      0.00000
    114      -0.7570      0.00000
    115      -0.2169      0.00000
    116       0.1140      0.00000
    117       0.2640      0.00000
    118       0.3461      0.00000
    119       0.7354      0.00000
    120       0.9038      0.00000
    121       0.9721      0.00000
    122       1.0954      0.00000
    123       1.2100      0.00000
    124       1.5303      0.00000
    125       1.5643      0.00000
    126       1.7169      0.00000
    127       1.8389      0.00000
    128       1.8626      0.00000
    129       1.9703      0.00000
    130       2.0003      0.00000
    131       2.1600      0.00000
    132       2.2693      0.00000
    133       2.4569      0.00000
    134       2.4689      0.00000
    135       2.5073      0.00000
    136       2.6665      0.00000
    137       2.6871      0.00000
    138       2.7335      0.00000
    139       2.7441      0.00000
    140       2.8938      0.00000
    141       3.0237      0.00000
    142       3.0827      0.00000
    143       3.1943      0.00000
    144       3.2555      0.00000
    145       3.2591      0.00000
    146       3.2704      0.00000
    147       3.3602      0.00000
    148       3.4834      0.00000
    149       3.5304      0.00000
    150       3.6982      0.00000
    151       3.7590      0.00000
    152       3.7707      0.00000
    153       3.8360      0.00000
    154       3.8804      0.00000
    155       3.9439      0.00000
    156       3.9841      0.00000
    157       4.0232      0.00000
    158       4.0502      0.00000
    159       4.0567      0.00000
    160       4.0961      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1415      1.00000
      2     -22.0463      1.00000
      3     -21.8861      1.00000
      4     -21.3341      1.00000
      5     -20.9813      1.00000
      6     -20.9427      1.00000
      7     -20.4330      1.00000
      8     -20.3902      1.00000
      9     -20.2261      1.00000
     10     -20.2047      1.00000
     11     -19.8886      1.00000
     12     -19.8210      1.00000
     13     -18.8144      1.00000
     14     -18.7433      1.00000
     15     -18.2896      1.00000
     16     -18.2360      1.00000
     17     -18.0855      1.00000
     18     -18.0653      1.00000
     19     -17.7612      1.00000
     20     -17.7187      1.00000
     21     -17.1885      1.00000
     22     -17.1695      1.00000
     23     -17.0993      1.00000
     24     -17.0633      1.00000
     25     -16.0376      1.00000
     26     -15.8224      1.00000
     27     -15.7993      1.00000
     28     -15.7642      1.00000
     29     -15.1734      1.00000
     30     -14.4907      1.00000
     31     -14.4579      1.00000
     32     -14.2176      1.00000
     33     -13.8949      1.00000
     34     -13.8899      1.00000
     35     -13.7557      1.00000
     36     -13.7356      1.00000
     37     -13.5514      1.00000
     38     -13.5026      1.00000
     39     -13.2996      1.00000
     40     -12.5640      1.00000
     41     -12.1250      1.00000
     42     -12.0656      1.00000
     43     -12.0096      1.00000
     44     -11.9511      1.00000
     45     -11.6109      1.00000
     46     -11.5879      1.00000
     47     -11.0851      1.00000
     48     -11.0515      1.00000
     49     -10.7532      1.00000
     50     -10.6635      1.00000
     51     -10.5272      1.00000
     52     -10.1488      1.00000
     53     -10.1379      1.00000
     54     -10.0956      1.00000
     55      -9.9528      1.00000
     56      -9.9476      1.00000
     57      -9.9168      1.00000
     58      -9.7373      1.00000
     59      -9.7313      1.00000
     60      -9.7004      1.00000
     61      -9.6907      1.00000
     62      -9.4297      1.00000
     63      -9.3626      1.00000
     64      -9.0870      1.00000
     65      -9.0067      1.00000
     66      -8.9743      1.00000
     67      -8.8875      1.00000
     68      -8.8110      1.00000
     69      -8.6582      1.00000
     70      -8.6350      1.00000
     71      -8.5789      1.00000
     72      -8.4778      1.00000
     73      -8.4671      1.00000
     74      -8.3979      1.00000
     75      -8.3939      1.00000
     76      -8.1835      1.00000
     77      -8.1144      1.00000
     78      -7.9768      1.00000
     79      -7.9155      1.00000
     80      -7.8468      1.00000
     81      -7.6180      1.00000
     82      -7.5297      1.00000
     83      -7.4688      1.00000
     84      -7.2574      1.00000
     85      -6.9348      1.00000
     86      -6.8576      1.00000
     87      -6.8110      1.00000
     88      -6.5752      1.00000
     89      -6.4667      1.00000
     90      -6.4200      1.00000
     91      -6.3563      1.00000
     92      -6.0526      1.00000
     93      -5.8780      1.00000
     94      -5.7529      1.00000
     95      -5.7214      1.00000
     96      -5.4774      1.00000
     97      -5.3463      1.00000
     98      -5.1800      1.00000
     99      -5.1559      1.00000
    100      -5.1543      1.00000
    101      -4.7077      1.00000
    102      -4.4413      1.00000
    103      -4.2565      1.00000
    104      -3.9969      1.00000
    105      -3.8304      1.00000
    106      -3.1556      1.00000
    107      -2.4627      0.00000
    108      -1.3786      0.00000
    109      -1.2410      0.00000
    110      -1.1459      0.00000
    111      -1.1142      0.00000
    112      -0.5631      0.00000
    113      -0.4344      0.00000
    114      -0.4294      0.00000
    115      -0.3098      0.00000
    116      -0.1897      0.00000
    117       0.0620      0.00000
    118       0.1175      0.00000
    119       0.5406      0.00000
    120       0.6843      0.00000
    121       0.8724      0.00000
    122       0.9694      0.00000
    123       1.1124      0.00000
    124       1.4966      0.00000
    125       1.6633      0.00000
    126       1.8043      0.00000
    127       1.8776      0.00000
    128       2.0941      0.00000
    129       2.1392      0.00000
    130       2.1979      0.00000
    131       2.2155      0.00000
    132       2.3404      0.00000
    133       2.3625      0.00000
    134       2.4889      0.00000
    135       2.5816      0.00000
    136       2.6697      0.00000
    137       2.8797      0.00000
    138       2.9379      0.00000
    139       2.9668      0.00000
    140       2.9915      0.00000
    141       3.0412      0.00000
    142       3.1513      0.00000
    143       3.1816      0.00000
    144       3.2457      0.00000
    145       3.2913      0.00000
    146       3.3330      0.00000
    147       3.3502      0.00000
    148       3.3805      0.00000
    149       3.4143      0.00000
    150       3.4970      0.00000
    151       3.5549      0.00000
    152       3.6343      0.00000
    153       3.6954      0.00000
    154       3.7105      0.00000
    155       3.7270      0.00000
    156       3.9211      0.00000
    157       3.9358      0.00000
    158       4.0599      0.00000
    159       4.0907      0.00000
    160       4.2030      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2473      1.00000
      2     -21.8947      1.00000
      3     -21.8210      1.00000
      4     -21.3158      1.00000
      5     -21.2769      1.00000
      6     -20.7710      1.00000
      7     -20.7020      1.00000
      8     -20.5540      1.00000
      9     -20.0224      1.00000
     10     -19.9899      1.00000
     11     -19.6499      1.00000
     12     -19.6187      1.00000
     13     -18.9430      1.00000
     14     -18.9081      1.00000
     15     -18.5837      1.00000
     16     -18.5461      1.00000
     17     -18.3916      1.00000
     18     -17.6016      1.00000
     19     -17.5701      1.00000
     20     -17.5407      1.00000
     21     -17.5079      1.00000
     22     -17.0741      1.00000
     23     -17.0270      1.00000
     24     -16.8997      1.00000
     25     -15.9451      1.00000
     26     -15.8508      1.00000
     27     -15.5328      1.00000
     28     -15.5061      1.00000
     29     -15.2089      1.00000
     30     -14.8135      1.00000
     31     -14.7609      1.00000
     32     -14.5090      1.00000
     33     -14.4674      1.00000
     34     -14.0959      1.00000
     35     -14.0928      1.00000
     36     -13.1044      1.00000
     37     -13.0291      1.00000
     38     -12.9562      1.00000
     39     -12.9491      1.00000
     40     -12.6555      1.00000
     41     -12.6268      1.00000
     42     -12.2737      1.00000
     43     -12.2468      1.00000
     44     -11.5729      1.00000
     45     -11.5533      1.00000
     46     -11.5002      1.00000
     47     -10.8778      1.00000
     48     -10.8690      1.00000
     49     -10.6833      1.00000
     50     -10.5245      1.00000
     51     -10.5204      1.00000
     52     -10.4333      1.00000
     53     -10.4153      1.00000
     54     -10.3696      1.00000
     55     -10.2873      1.00000
     56     -10.0608      1.00000
     57      -9.8315      1.00000
     58      -9.5587      1.00000
     59      -9.4841      1.00000
     60      -9.4448      1.00000
     61      -9.3557      1.00000
     62      -9.3385      1.00000
     63      -9.3072      1.00000
     64      -9.3019      1.00000
     65      -9.2057      1.00000
     66      -9.0992      1.00000
     67      -9.0681      1.00000
     68      -9.0489      1.00000
     69      -8.8517      1.00000
     70      -8.7968      1.00000
     71      -8.7775      1.00000
     72      -8.5266      1.00000
     73      -8.4973      1.00000
     74      -8.2280      1.00000
     75      -8.1295      1.00000
     76      -8.0925      1.00000
     77      -7.8065      1.00000
     78      -7.7670      1.00000
     79      -7.7388      1.00000
     80      -7.7032      1.00000
     81      -7.6349      1.00000
     82      -7.6246      1.00000
     83      -7.3879      1.00000
     84      -7.3442      1.00000
     85      -7.2198      1.00000
     86      -6.8433      1.00000
     87      -6.8203      1.00000
     88      -6.6402      1.00000
     89      -6.5293      1.00000
     90      -6.3408      1.00000
     91      -6.2729      1.00000
     92      -6.1953      1.00000
     93      -6.1317      1.00000
     94      -6.0213      1.00000
     95      -5.6381      1.00000
     96      -5.5086      1.00000
     97      -5.2975      1.00000
     98      -5.1558      1.00000
     99      -5.0403      1.00000
    100      -4.7268      1.00000
    101      -4.6854      1.00000
    102      -4.3680      1.00000
    103      -4.1859      1.00000
    104      -4.0101      1.00000
    105      -3.8299      1.00000
    106      -3.4837      1.00000
    107      -2.1640      0.00000
    108      -1.3831      0.00000
    109      -1.2354      0.00000
    110      -1.1844      0.00000
    111      -1.0138      0.00000
    112      -0.9555      0.00000
    113      -0.7971      0.00000
    114      -0.7518      0.00000
    115      -0.3646      0.00000
    116       0.2453      0.00000
    117       0.2768      0.00000
    118       0.3649      0.00000
    119       0.7015      0.00000
    120       0.8693      0.00000
    121       0.9659      0.00000
    122       1.1278      0.00000
    123       1.2370      0.00000
    124       1.4569      0.00000
    125       1.5570      0.00000
    126       1.7830      0.00000
    127       1.8516      0.00000
    128       1.8838      0.00000
    129       1.9874      0.00000
    130       2.0325      0.00000
    131       2.1982      0.00000
    132       2.2132      0.00000
    133       2.4037      0.00000
    134       2.4534      0.00000
    135       2.5545      0.00000
    136       2.6586      0.00000
    137       2.6851      0.00000
    138       2.7295      0.00000
    139       2.7681      0.00000
    140       2.8560      0.00000
    141       2.9670      0.00000
    142       3.0821      0.00000
    143       3.1901      0.00000
    144       3.2419      0.00000
    145       3.2580      0.00000
    146       3.2960      0.00000
    147       3.3321      0.00000
    148       3.4833      0.00000
    149       3.5106      0.00000
    150       3.7146      0.00000
    151       3.7247      0.00000
    152       3.7709      0.00000
    153       3.8628      0.00000
    154       3.8759      0.00000
    155       3.8993      0.00000
    156       3.9984      0.00000
    157       3.9995      0.00000
    158       4.0519      0.00000
    159       4.0655      0.00000
    160       4.0988      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3193      1.00000
      2     -21.7611      1.00000
      3     -21.5674      1.00000
      4     -21.5401      1.00000
      5     -21.2046      1.00000
      6     -21.1656      1.00000
      7     -20.9852      1.00000
      8     -20.0983      1.00000
      9     -20.0593      1.00000
     10     -19.5459      1.00000
     11     -19.5258      1.00000
     12     -19.3443      1.00000
     13     -19.0277      1.00000
     14     -18.9877      1.00000
     15     -18.9771      1.00000
     16     -18.9714      1.00000
     17     -18.2956      1.00000
     18     -18.2821      1.00000
     19     -17.9457      1.00000
     20     -17.0002      1.00000
     21     -16.9591      1.00000
     22     -16.8822      1.00000
     23     -16.8693      1.00000
     24     -16.4159      1.00000
     25     -16.3929      1.00000
     26     -15.5406      1.00000
     27     -15.5372      1.00000
     28     -15.1725      1.00000
     29     -15.1709      1.00000
     30     -15.1305      1.00000
     31     -15.0358      1.00000
     32     -15.0004      1.00000
     33     -14.6332      1.00000
     34     -14.6261      1.00000
     35     -13.6627      1.00000
     36     -13.6526      1.00000
     37     -13.1704      1.00000
     38     -12.5728      1.00000
     39     -12.5128      1.00000
     40     -12.3852      1.00000
     41     -12.3846      1.00000
     42     -12.0352      1.00000
     43     -12.0309      1.00000
     44     -11.6551      1.00000
     45     -11.6145      1.00000
     46     -11.2065      1.00000
     47     -11.1570      1.00000
     48     -10.9549      1.00000
     49     -10.9417      1.00000
     50     -10.8605      1.00000
     51     -10.8279      1.00000
     52     -10.6258      1.00000
     53     -10.1469      1.00000
     54     -10.0838      1.00000
     55     -10.0245      1.00000
     56      -9.9461      1.00000
     57      -9.6308      1.00000
     58      -9.6293      1.00000
     59      -9.6029      1.00000
     60      -9.5408      1.00000
     61      -9.5028      1.00000
     62      -9.4784      1.00000
     63      -9.2728      1.00000
     64      -9.2348      1.00000
     65      -9.2066      1.00000
     66      -9.1797      1.00000
     67      -9.0619      1.00000
     68      -9.0465      1.00000
     69      -9.0428      1.00000
     70      -8.8766      1.00000
     71      -8.8088      1.00000
     72      -8.5368      1.00000
     73      -8.5331      1.00000
     74      -8.5021      1.00000
     75      -8.0306      1.00000
     76      -7.8325      1.00000
     77      -7.8006      1.00000
     78      -7.7736      1.00000
     79      -7.7026      1.00000
     80      -7.6841      1.00000
     81      -7.4144      1.00000
     82      -7.2870      1.00000
     83      -7.2509      1.00000
     84      -7.2031      1.00000
     85      -7.0822      1.00000
     86      -7.0751      1.00000
     87      -6.9382      1.00000
     88      -6.7116      1.00000
     89      -6.6743      1.00000
     90      -6.6288      1.00000
     91      -6.5569      1.00000
     92      -6.0715      1.00000
     93      -6.0312      1.00000
     94      -6.0015      1.00000
     95      -5.9369      1.00000
     96      -5.8008      1.00000
     97      -5.1828      1.00000
     98      -4.8961      1.00000
     99      -4.7939      1.00000
    100      -4.6106      1.00000
    101      -4.5123      1.00000
    102      -4.1405      1.00000
    103      -4.0919      1.00000
    104      -3.9307      1.00000
    105      -3.9168      1.00000
    106      -3.8289      1.00000
    107      -1.7515      0.00000
    108      -1.6955      0.00000
    109      -1.4101      0.00000
    110      -1.3707      0.00000
    111      -1.2641      0.00000
    112      -1.2357      0.00000
    113      -0.6229      0.00000
    114      -0.5979      0.00000
    115      -0.1902      0.00000
    116       0.0431      0.00000
    117       0.5850      0.00000
    118       0.7407      0.00000
    119       0.8501      0.00000
    120       0.9289      0.00000
    121       1.1677      0.00000
    122       1.2117      0.00000
    123       1.2478      0.00000
    124       1.4205      0.00000
    125       1.6000      0.00000
    126       1.6403      0.00000
    127       1.7057      0.00000
    128       1.8063      0.00000
    129       1.9229      0.00000
    130       1.9402      0.00000
    131       2.1508      0.00000
    132       2.1739      0.00000
    133       2.2619      0.00000
    134       2.3018      0.00000
    135       2.5436      0.00000
    136       2.5606      0.00000
    137       2.6357      0.00000
    138       2.7617      0.00000
    139       2.8099      0.00000
    140       2.8469      0.00000
    141       2.8938      0.00000
    142       2.9443      0.00000
    143       3.0160      0.00000
    144       3.0286      0.00000
    145       3.0888      0.00000
    146       3.3151      0.00000
    147       3.3704      0.00000
    148       3.4180      0.00000
    149       3.4791      0.00000
    150       3.6026      0.00000
    151       3.6564      0.00000
    152       3.6652      0.00000
    153       3.6796      0.00000
    154       3.8933      0.00000
    155       3.9801      0.00000
    156       4.0280      0.00000
    157       4.0746      0.00000
    158       4.2355      0.00000
    159       4.2562      0.00000
    160       4.2705      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1406      1.00000
      2     -22.0477      1.00000
      3     -21.8856      1.00000
      4     -21.3351      1.00000
      5     -20.9763      1.00000
      6     -20.9468      1.00000
      7     -20.4277      1.00000
      8     -20.3956      1.00000
      9     -20.2155      1.00000
     10     -20.2138      1.00000
     11     -19.8875      1.00000
     12     -19.8236      1.00000
     13     -18.8174      1.00000
     14     -18.7466      1.00000
     15     -18.2654      1.00000
     16     -18.2512      1.00000
     17     -18.0798      1.00000
     18     -18.0733      1.00000
     19     -17.7456      1.00000
     20     -17.7296      1.00000
     21     -17.1946      1.00000
     22     -17.1712      1.00000
     23     -17.0883      1.00000
     24     -17.0678      1.00000
     25     -16.0534      1.00000
     26     -15.8082      1.00000
     27     -15.7987      1.00000
     28     -15.7775      1.00000
     29     -15.1588      1.00000
     30     -14.4855      1.00000
     31     -14.4640      1.00000
     32     -14.2039      1.00000
     33     -13.9161      1.00000
     34     -13.8862      1.00000
     35     -13.7587      1.00000
     36     -13.7385      1.00000
     37     -13.5361      1.00000
     38     -13.5100      1.00000
     39     -13.3010      1.00000
     40     -12.5763      1.00000
     41     -12.1011      1.00000
     42     -12.0769      1.00000
     43     -11.9985      1.00000
     44     -11.9507      1.00000
     45     -11.6053      1.00000
     46     -11.5975      1.00000
     47     -11.0846      1.00000
     48     -11.0611      1.00000
     49     -10.7324      1.00000
     50     -10.6646      1.00000
     51     -10.5608      1.00000
     52     -10.1394      1.00000
     53     -10.1346      1.00000
     54     -10.1003      1.00000
     55      -9.9660      1.00000
     56      -9.9249      1.00000
     57      -9.9208      1.00000
     58      -9.7508      1.00000
     59      -9.7286      1.00000
     60      -9.6972      1.00000
     61      -9.6947      1.00000
     62      -9.4013      1.00000
     63      -9.3894      1.00000
     64      -9.0690      1.00000
     65      -8.9822      1.00000
     66      -8.9810      1.00000
     67      -8.9063      1.00000
     68      -8.8117      1.00000
     69      -8.6494      1.00000
     70      -8.6334      1.00000
     71      -8.5489      1.00000
     72      -8.5023      1.00000
     73      -8.4828      1.00000
     74      -8.3942      1.00000
     75      -8.3821      1.00000
     76      -8.2097      1.00000
     77      -8.1022      1.00000
     78      -8.0070      1.00000
     79      -7.9017      1.00000
     80      -7.8432      1.00000
     81      -7.6217      1.00000
     82      -7.5324      1.00000
     83      -7.4574      1.00000
     84      -7.2541      1.00000
     85      -6.9426      1.00000
     86      -6.8686      1.00000
     87      -6.8092      1.00000
     88      -6.4779      1.00000
     89      -6.4690      1.00000
     90      -6.4093      1.00000
     91      -6.3597      1.00000
     92      -6.1926      1.00000
     93      -5.8578      1.00000
     94      -5.7374      1.00000
     95      -5.7110      1.00000
     96      -5.5245      1.00000
     97      -5.3291      1.00000
     98      -5.1721      1.00000
     99      -5.1673      1.00000
    100      -5.1338      1.00000
    101      -4.6962      1.00000
    102      -4.3484      1.00000
    103      -4.2816      1.00000
    104      -4.0305      1.00000
    105      -3.8314      1.00000
    106      -3.2328      1.00000
    107      -2.4046      0.00000
    108      -1.3450      0.00000
    109      -1.2434      0.00000
    110      -1.1530      0.00000
    111      -1.1082      0.00000
    112      -0.5821      0.00000
    113      -0.5213      0.00000
    114      -0.4336      0.00000
    115      -0.2749      0.00000
    116      -0.0697      0.00000
    117      -0.0103      0.00000
    118       0.0601      0.00000
    119       0.5832      0.00000
    120       0.7109      0.00000
    121       0.8108      0.00000
    122       0.9456      0.00000
    123       1.1844      0.00000
    124       1.5111      0.00000
    125       1.6214      0.00000
    126       1.8607      0.00000
    127       2.0052      0.00000
    128       2.0520      0.00000
    129       2.1142      0.00000
    130       2.1530      0.00000
    131       2.2636      0.00000
    132       2.2860      0.00000
    133       2.3485      0.00000
    134       2.4629      0.00000
    135       2.6111      0.00000
    136       2.7018      0.00000
    137       2.8201      0.00000
    138       2.9152      0.00000
    139       2.9429      0.00000
    140       3.0145      0.00000
    141       3.0483      0.00000
    142       3.1578      0.00000
    143       3.1635      0.00000
    144       3.2245      0.00000
    145       3.2995      0.00000
    146       3.3117      0.00000
    147       3.3540      0.00000
    148       3.3738      0.00000
    149       3.4173      0.00000
    150       3.4508      0.00000
    151       3.5640      0.00000
    152       3.6138      0.00000
    153       3.7024      0.00000
    154       3.7269      0.00000
    155       3.8487      0.00000
    156       3.9053      0.00000
    157       3.9326      0.00000
    158       3.9614      0.00000
    159       4.1483      0.00000
    160       4.1829      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2133      1.00000
      2     -22.0080      1.00000
      3     -21.6461      1.00000
      4     -21.6147      1.00000
      5     -20.9097      1.00000
      6     -20.8688      1.00000
      7     -20.5390      1.00000
      8     -20.5063      1.00000
      9     -20.4995      1.00000
     10     -19.9621      1.00000
     11     -19.4407      1.00000
     12     -19.4188      1.00000
     13     -19.2398      1.00000
     14     -19.2326      1.00000
     15     -18.3759      1.00000
     16     -18.3407      1.00000
     17     -17.8587      1.00000
     18     -17.8426      1.00000
     19     -17.6911      1.00000
     20     -17.6550      1.00000
     21     -17.3721      1.00000
     22     -17.3578      1.00000
     23     -17.2669      1.00000
     24     -16.4135      1.00000
     25     -16.3897      1.00000
     26     -15.9043      1.00000
     27     -15.3435      1.00000
     28     -15.3385      1.00000
     29     -15.0311      1.00000
     30     -15.0212      1.00000
     31     -14.7762      1.00000
     32     -14.7739      1.00000
     33     -14.2373      1.00000
     34     -14.1866      1.00000
     35     -13.3874      1.00000
     36     -13.3330      1.00000
     37     -13.1112      1.00000
     38     -13.1029      1.00000
     39     -12.9176      1.00000
     40     -12.9119      1.00000
     41     -12.5454      1.00000
     42     -12.5375      1.00000
     43     -12.1331      1.00000
     44     -11.5140      1.00000
     45     -11.4693      1.00000
     46     -11.2449      1.00000
     47     -11.2131      1.00000
     48     -11.0862      1.00000
     49     -10.7072      1.00000
     50     -10.5956      1.00000
     51     -10.5094      1.00000
     52     -10.2511      1.00000
     53     -10.2469      1.00000
     54     -10.1220      1.00000
     55     -10.0543      1.00000
     56     -10.0386      1.00000
     57      -9.7852      1.00000
     58      -9.6867      1.00000
     59      -9.6731      1.00000
     60      -9.6373      1.00000
     61      -9.6275      1.00000
     62      -9.5854      1.00000
     63      -9.2955      1.00000
     64      -9.2832      1.00000
     65      -9.2533      1.00000
     66      -9.0662      1.00000
     67      -8.8947      1.00000
     68      -8.8834      1.00000
     69      -8.7183      1.00000
     70      -8.5823      1.00000
     71      -8.5263      1.00000
     72      -8.3509      1.00000
     73      -8.3049      1.00000
     74      -8.2434      1.00000
     75      -8.2379      1.00000
     76      -8.1947      1.00000
     77      -8.1812      1.00000
     78      -8.1696      1.00000
     79      -8.1090      1.00000
     80      -7.6899      1.00000
     81      -7.4195      1.00000
     82      -7.3432      1.00000
     83      -7.2576      1.00000
     84      -7.1683      1.00000
     85      -7.1103      1.00000
     86      -7.0041      1.00000
     87      -6.9038      1.00000
     88      -6.8474      1.00000
     89      -6.5422      1.00000
     90      -6.4981      1.00000
     91      -6.2146      1.00000
     92      -6.2019      1.00000
     93      -5.8943      1.00000
     94      -5.6740      1.00000
     95      -5.6086      1.00000
     96      -5.5802      1.00000
     97      -5.2531      1.00000
     98      -5.2311      1.00000
     99      -5.1647      1.00000
    100      -5.1343      1.00000
    101      -4.6004      1.00000
    102      -4.2514      1.00000
    103      -4.0469      1.00000
    104      -3.8843      1.00000
    105      -3.8433      1.00000
    106      -3.8007      1.00000
    107      -1.8076      0.00000
    108      -1.7800      0.00000
    109      -1.2249      0.00000
    110      -1.1752      0.00000
    111      -0.9737      0.00000
    112      -0.7341      0.00000
    113      -0.6498      0.00000
    114      -0.5936      0.00000
    115      -0.5495      0.00000
    116      -0.1511      0.00000
    117       0.1767      0.00000
    118       0.2882      0.00000
    119       0.7064      0.00000
    120       0.9505      0.00000
    121       1.1687      0.00000
    122       1.2782      0.00000
    123       1.3475      0.00000
    124       1.5132      0.00000
    125       1.6088      0.00000
    126       1.6281      0.00000
    127       1.6924      0.00000
    128       1.7750      0.00000
    129       1.8627      0.00000
    130       2.0794      0.00000
    131       2.1668      0.00000
    132       2.3190      0.00000
    133       2.3942      0.00000
    134       2.4240      0.00000
    135       2.5573      0.00000
    136       2.6254      0.00000
    137       2.6867      0.00000
    138       2.7470      0.00000
    139       2.8173      0.00000
    140       2.9084      0.00000
    141       3.0520      0.00000
    142       3.0623      0.00000
    143       3.1837      0.00000
    144       3.2825      0.00000
    145       3.3796      0.00000
    146       3.4151      0.00000
    147       3.4610      0.00000
    148       3.5459      0.00000
    149       3.5738      0.00000
    150       3.6350      0.00000
    151       3.6652      0.00000
    152       3.7015      0.00000
    153       3.7874      0.00000
    154       3.7993      0.00000
    155       3.8252      0.00000
    156       3.8943      0.00000
    157       3.9085      0.00000
    158       3.9814      0.00000
    159       4.1892      0.00000
    160       4.2353      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0400   -7.2556    3.9847   -1.1327   -0.1857   17.3763    0.4905   -0.8143    0.7718   -0.4772
x    -3.1250   -0.0255   -0.0212   -0.0254    0.0910   -3.0537    0.0298   -0.0244    0.0084    0.0018
x    -0.0954   -0.0029    0.0035   -0.0031    0.0022   -0.0242    0.0000    0.0000   -0.0001    0.0001
x    -0.0035   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0400    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0034    0.0000    0.0004    0.0007    0.0028   -0.0985   -0.0316    0.0620    0.0183
y     0.0233   -3.2428   -0.1784    0.1700   -2.4132   -0.6649
z   204.0400    1.7391    0.2894    0.0891   -0.0013    0.0777   -0.0019    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1048    0.0015   -0.0010   -0.0001    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0013   -0.0001    0.0001    0.0000
z    -0.0001    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  -16.6958
z     0.1385    0.2299   -0.0310    0.0576   -0.0903    0.0006
 total charge-density along one line
x   212.0000  -10.0866    5.9314   -1.9416   -0.4213   19.2957   -0.6587    0.2078    0.0670   -0.1069
x    -2.7049   -0.0092    0.0011   -0.0442    0.0966   -2.3449    0.0473   -0.0345    0.0118    0.0024
x    -0.0855   -0.0054    0.0083   -0.0079    0.0054   -0.0375    0.0000   -0.0001    0.0003   -0.0004
x    -0.0054    0.0000   -0.0002    0.0001    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  -10.0866    5.9314   -1.9416   -0.4213   19.2957   -0.6587    0.2078    0.0670   -0.1069
y    -2.7049   -0.0092    0.0011   -0.0442    0.0966   -2.3449    0.0473   -0.0345    0.0118    0.0024
y    -0.0855   -0.0054    0.0083   -0.0079    0.0054   -0.0375    0.0000   -0.0001    0.0003   -0.0004
y    -0.0054    0.0000   -0.0002    0.0001    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 -205.3081  188.8770 -170.1729  154.0892 -140.4063  126.4997 -111.0188   94.7495  -79.0859
z    64.7213  -51.7874   40.5543  -31.5052   24.7848  -19.8604   15.8618  -12.2150    8.9096   -6.2236
z     4.2922   -2.9596    1.9614   -1.1531    0.5426   -0.1573   -0.0608    0.2213   -0.3836    0.5186
z    -0.5686    0.5252   -0.4414    0.3769   -0.3478    0.3292   -0.2950    0.2452   -0.1976    0.1643
z    -0.1415    0.1197   -0.0959    0.0749   -0.0611    0.0533   -0.0469    0.0391   -0.0314    0.0258
z    -0.0227    0.0203   -0.0173    0.0141   -0.0113    0.0093   -0.0076    0.0058   -0.0043    0.0032
z    -0.0022    0.0013   -0.0004   -0.0002    0.0004   -0.0004    0.0005   -0.0008    0.0009   -0.0007
z     0.0004   -0.0002    0.0001   -0.0001    0.0000    0.0001   -0.0003    0.0003   -0.0004    0.0003
z    -0.0003    0.0003   -0.0002    0.0002   -0.0002    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001
z     0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 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
-10.941   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.270   0.000  -0.101   0.000   0.000   0.239   0.000
  0.041   0.000 -11.246   0.000  -0.024  -0.006   0.000   0.238
  0.000  -0.101   0.000 -11.153   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.938   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.238   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.226   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.199   0.000   0.000   0.000
  0.036   0.000   0.101   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.025   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.941   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.270   0.000  -0.101   0.000   0.000   0.239   0.000
  0.041   0.000 -11.246   0.000  -0.024  -0.006   0.000   0.238
  0.000  -0.101   0.000 -11.153   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.938   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.238   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.226   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.199   0.000   0.000   0.000
  0.036   0.000   0.101   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.025   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.960   0.000  -0.027   0.000   0.002   0.021   0.000   0.057   0.000  -0.014  -0.026   0.025   0.000  -0.001   0.000   0.000
  0.000   1.587   0.000  -0.146   0.000   0.000   0.594   0.000   0.259   0.000   0.000   0.000   0.160   0.000   0.106  -0.035
 -0.027   0.000   1.788   0.000   0.019   0.044   0.000   0.356   0.000  -0.027  -0.233  -0.044   0.000   0.096   0.000   0.000
  0.000  -0.146   0.000   1.755   0.000   0.000   0.259   0.000   0.295   0.000   0.000   0.000   0.108   0.000   0.038   0.005
  0.002   0.000   0.019   0.000   1.966  -0.014   0.000  -0.035   0.000   0.003   0.010  -0.015   0.000   0.003   0.000   0.000
  0.021   0.000   0.044   0.000  -0.014   0.063   0.000   0.101   0.000  -0.024   0.191  -0.052   0.000   0.116   0.000   0.000
  0.000   0.594   0.000   0.259   0.000   0.000   0.329   0.000   0.106   0.000   0.000   0.000   0.056   0.000   0.066  -0.011
  0.057   0.000   0.356   0.000  -0.035   0.101   0.000   0.566   0.000  -0.057   0.703  -0.293   0.000   0.087   0.000   0.000
  0.000   0.259   0.000   0.295   0.000   0.000   0.106   0.000   0.207   0.000   0.000   0.000   0.065   0.000  -0.020  -0.006
 -0.014   0.000  -0.027   0.000   0.003  -0.024   0.000  -0.057   0.000   0.036  -0.109   0.030   0.000  -0.068   0.000   0.000
 -0.026   0.000  -0.233   0.000   0.010   0.191   0.000   0.703   0.000  -0.109   1.352  -0.433   0.000   0.265   0.000   0.000
  0.025   0.000  -0.044   0.000  -0.015  -0.052   0.000  -0.293   0.000   0.030  -0.433   0.193   0.000  -0.034   0.000   0.000
  0.000   0.160   0.000   0.108   0.000   0.000   0.056   0.000   0.065   0.000   0.000   0.000   0.043   0.000   0.012  -0.004
 -0.001   0.000   0.096   0.000   0.003   0.116   0.000   0.087   0.000  -0.068   0.265  -0.034   0.000   0.311   0.000   0.000
  0.000   0.106   0.000   0.038   0.000   0.000   0.066   0.000  -0.020   0.000   0.000   0.000   0.012   0.000   0.031  -0.002
  0.000  -0.035   0.000   0.005   0.000   0.000  -0.011   0.000  -0.006   0.000   0.000   0.000  -0.004   0.000  -0.002   0.001
  0.001   0.000  -0.036   0.000  -0.001  -0.005   0.000  -0.009   0.000   0.003  -0.007   0.000   0.000  -0.014   0.000   0.000
  0.000   0.005   0.000  -0.041   0.000   0.000  -0.006   0.000  -0.004   0.000   0.000   0.000  -0.002   0.000  -0.002   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        0.639   0.278   8.027   8.943
  2        0.514   0.028   0.000   0.542
  3        0.514   0.028   0.000   0.542
  4        0.864   1.783   0.000   2.647
  5        0.864   1.783   0.000   2.646
  6        0.864   1.782   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   1.783   0.000   2.647
 10        0.864   1.784   0.000   2.648
 11        0.863   1.783   0.000   2.646
 12        0.864   1.784   0.000   2.648
 13        0.864   1.783   0.000   2.646
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.863   1.777   0.000   2.640
 17        0.856   1.772   0.000   2.629
 18        0.864   1.784   0.000   2.647
 19        0.864   1.782   0.000   2.646
 20        0.864   1.782   0.000   2.645
 21        0.863   1.781   0.000   2.644
 22        0.863   1.776   0.000   2.639
 23        0.863   1.783   0.000   2.646
 24        0.864   1.783   0.000   2.646
 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   1.783   0.000   2.647
 29        0.864   1.783   0.000   2.646
 30        0.864   1.783   0.000   2.647
 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   1.782   0.000   2.646
 35        0.863   1.783   0.000   2.646
 36        0.863   1.776   0.000   2.639
 37        0.863   1.781   0.000   2.644
 38        0.864   1.782   0.000   2.645
 39        0.864   1.784   0.000   2.648
 40        0.864   1.784   0.000   2.647
 41        0.856   1.772   0.000   2.629
 42        0.863   1.777   0.000   2.640
 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   2.646
 46        0.864   1.784   0.000   2.648
 47        0.863   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   1.783   0.000   2.647
 51        0.864   1.784   0.000   2.648
 52        0.864   1.782   0.000   2.646
 53        0.864   1.783   0.000   2.646
------------------------------------------------
tot       44.832  89.435   8.027 142.293
 


 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  114.78: CPU time   57.87
    FORLOC:  VPU time    1.25: CPU time    1.25
    FORNL :  VPU time  440.58: CPU time  221.48
    STRESS:  VPU time 1353.75: CPU time  682.78
    FORCOR:  VPU time    8.75: CPU time    8.75
    FORHAR:  VPU time    2.30: CPU time    2.30
    MIXING:  VPU time    0.18: CPU time    0.18
 d Force = 0.2547550E-05[ 0.173E-05, 0.337E-05]  d Energy = 0.4511725E-05-0.196E-05
 d Force = 0.3022065E-01[ 0.302E-01, 0.302E-01]  d Ewald  =-0.4985567E-01 0.801E-01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.644751 eV

  energy  without entropy=     -471.644751  energy(sigma->0) =     -471.644751
 

  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    40729.52  40746.30 -47430.91     14.54      0.00      0.00
  Hartree  40195.67  40199.47 -39450.08      3.29      0.00      0.00
  E(xc)     -779.74   -779.55   -807.27      0.17      0.00      0.00
  Local   -83218.44 -83232.89  84198.44    -12.52      0.00      0.00
  n-local   -215.78   -215.66   -203.79     -0.15      0.00      0.00
  augment     22.10     20.53     17.35     -1.35      0.00      0.00
  Kinetic   3168.74   3171.39   3582.14     -6.17      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.23     -0.24     -0.19     -0.01      0.00      0.00
  in kB       -0.14     -0.15     -0.11     -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
    12.347610601  0.001764181  0.000000000     0.080980651  0.046738843  0.000000000
    -6.172284118 10.694222598  0.000000000    -0.000013359  0.093500723  0.000000000
     0.000000000  0.000000000 19.976390143     0.000000000  0.000000000  0.050059094

  length of vectors
    12.347610727 12.347610627 19.976390143     0.093500723  0.093500724  0.050059094


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.411E-05 -.457E-04 -.960E+03   0.435E-05 -.275E-04 0.968E+03   0.852E-21 0.000E+00 -.786E+01   0.720E-08 -.454E-08 -.239E-02
   -.175E+02 -.304E+02 -.136E+03   0.184E+02 0.318E+02 0.139E+03   -.829E+00 -.144E+01 -.258E+01   0.204E-04 0.343E-04 0.615E-04
   0.175E+02 0.304E+02 -.136E+03   -.184E+02 -.318E+02 0.139E+03   0.829E+00 0.144E+01 -.258E+01   -.204E-04 -.343E-04 0.615E-04
   -.196E+01 0.113E+01 0.169E+02   0.197E+01 -.114E+01 -.169E+02   -.873E-02 0.504E-02 -.689E-02   0.527E-03 -.307E-03 0.971E-04
   0.579E+01 0.691E+01 0.196E+02   -.580E+01 -.694E+01 -.196E+02   0.632E-02 0.328E-01 -.207E-01   0.610E-03 -.377E-03 0.945E-04
   0.113E+02 0.504E+01 0.183E+02   -.113E+02 -.505E+01 -.183E+02   0.232E-01 0.886E-02 -.557E-01   0.576E-03 -.324E-03 0.249E-04
   0.454E+01 -.103E+01 0.164E+02   -.456E+01 0.105E+01 -.164E+02   0.201E-01 -.171E-01 -.284E-02   0.529E-03 -.305E-03 -.594E-05
   -.292E+01 -.240E+01 0.149E+02   0.294E+01 0.241E+01 -.149E+02   -.142E-01 -.149E-01 -.256E-02   0.517E-03 -.325E-03 0.442E-04
   0.616E+00 0.373E+01 0.149E+02   -.621E+00 -.375E+01 -.149E+02   0.579E-02 0.197E-01 -.256E-02   0.535E-03 -.292E-03 0.405E-04
   0.274E+01 0.182E+02 0.245E+02   -.275E+01 -.183E+02 -.245E+02   0.101E-01 0.111E+00 -.108E-01   0.529E-03 -.229E-03 0.321E-04
   0.215E+02 0.227E+02 0.400E+02   -.216E+02 -.229E+02 -.400E+02   0.117E+00 0.228E+00 -.147E-01   0.501E-03 -.405E-03 -.626E-04
   0.265E+02 -.450E+01 0.271E+02   -.268E+02 0.462E+01 -.270E+02   0.237E+00 -.120E+00 -.557E-01   0.665E-03 -.385E-03 0.166E-04
   0.917E+01 -.529E+01 0.154E+02   -.918E+01 0.530E+01 -.155E+02   0.190E-01 -.109E-01 0.137E-02   0.618E-03 -.363E-03 0.236E-04
   0.316E+01 -.341E+01 0.164E+02   -.319E+01 0.342E+01 -.164E+02   0.248E-01 -.890E-02 -.284E-02   0.526E-03 -.310E-03 -.143E-04
   -.604E+01 0.132E+02 0.201E+02   0.605E+01 -.133E+02 -.201E+02   -.616E-02 0.755E-01 -.770E-02   0.481E-03 -.303E-03 -.353E-04
   -.123E+02 0.335E+02 0.462E+02   0.124E+02 -.342E+02 -.465E+02   -.904E-01 0.681E+00 0.352E+00   0.656E-03 -.235E-03 0.449E-04
   0.265E+02 -.153E+02 0.696E+02   -.275E+02 0.159E+02 -.717E+02   0.977E+00 -.564E+00 0.210E+01   0.524E-03 -.305E-03 0.380E-03
   0.172E+02 -.207E+02 0.271E+02   -.174E+02 0.209E+02 -.270E+02   0.222E+00 -.145E+00 -.557E-01   0.664E-03 -.391E-03 0.117E-04
   0.126E+01 -.123E+02 0.183E+02   -.127E+01 0.123E+02 -.183E+02   0.395E-02 -.246E-01 -.557E-01   0.571E-03 -.338E-03 0.194E-04
   -.387E+01 0.156E+01 0.144E+02   0.387E+01 -.156E+01 -.143E+02   -.679E-02 0.248E-02 -.404E-01   0.555E-03 -.367E-03 0.417E-05
   -.182E+02 0.105E+02 0.210E+02   0.183E+02 -.106E+02 -.209E+02   -.635E-01 0.367E-01 -.128E+00   0.557E-03 -.318E-03 0.106E-04
   -.352E+02 -.611E+01 0.462E+02   0.358E+02 0.637E+01 -.465E+02   -.635E+00 -.262E+00 0.352E+00   0.535E-03 -.451E-03 0.481E-04
   -.888E+01 -.299E+02 0.400E+02   0.902E+01 0.301E+02 -.400E+02   -.139E+00 -.215E+00 -.147E-01   0.604E-03 -.235E-03 -.645E-04
   -.309E+01 -.847E+01 0.196E+02   0.311E+01 0.850E+01 -.196E+02   -.253E-01 -.219E-01 -.207E-01   0.633E-03 -.342E-03 0.937E-04
   0.127E+01 -.732E+00 0.146E+02   -.127E+01 0.731E+00 -.146E+02   -.165E-02 0.955E-03 -.316E-01   0.608E-03 -.349E-03 0.647E-04
   -.328E+01 0.257E+01 0.144E+02   0.329E+01 -.257E+01 -.143E+02   -.555E-02 0.464E-02 -.404E-01   0.598E-03 -.293E-03 0.892E-05
   -.144E+02 -.136E+01 0.201E+02   0.145E+02 0.139E+01 -.201E+02   -.685E-01 -.324E-01 -.770E-02   0.505E-03 -.267E-03 -.277E-04
   -.144E+02 -.115E+02 0.245E+02   0.145E+02 0.115E+02 -.245E+02   -.914E-01 -.645E-01 -.108E-01   0.465E-03 -.349E-03 0.351E-04
   0.309E+01 0.847E+01 0.196E+02   -.311E+01 -.850E+01 -.196E+02   0.253E-01 0.219E-01 -.207E-01   -.633E-03 0.342E-03 0.937E-04
   0.144E+02 0.115E+02 0.245E+02   -.145E+02 -.115E+02 -.245E+02   0.914E-01 0.645E-01 -.108E-01   -.465E-03 0.349E-03 0.351E-04
   0.144E+02 0.136E+01 0.201E+02   -.145E+02 -.139E+01 -.201E+02   0.685E-01 0.324E-01 -.770E-02   -.505E-03 0.267E-03 -.276E-04
   0.328E+01 -.257E+01 0.144E+02   -.329E+01 0.257E+01 -.143E+02   0.555E-02 -.464E-02 -.404E-01   -.598E-03 0.293E-03 0.892E-05
   -.127E+01 0.732E+00 0.146E+02   0.127E+01 -.731E+00 -.146E+02   0.165E-02 -.955E-03 -.316E-01   -.608E-03 0.349E-03 0.647E-04
   -.126E+01 0.123E+02 0.183E+02   0.127E+01 -.123E+02 -.183E+02   -.395E-02 0.246E-01 -.557E-01   -.571E-03 0.338E-03 0.194E-04
   0.888E+01 0.299E+02 0.400E+02   -.902E+01 -.301E+02 -.400E+02   0.139E+00 0.215E+00 -.147E-01   -.604E-03 0.235E-03 -.645E-04
   0.352E+02 0.611E+01 0.462E+02   -.358E+02 -.637E+01 -.465E+02   0.635E+00 0.262E+00 0.352E+00   -.535E-03 0.451E-03 0.481E-04
   0.182E+02 -.105E+02 0.210E+02   -.183E+02 0.106E+02 -.209E+02   0.635E-01 -.367E-01 -.128E+00   -.557E-03 0.318E-03 0.106E-04
   0.387E+01 -.156E+01 0.144E+02   -.387E+01 0.156E+01 -.143E+02   0.679E-02 -.248E-02 -.404E-01   -.555E-03 0.367E-03 0.417E-05
   -.316E+01 0.341E+01 0.164E+02   0.319E+01 -.342E+01 -.164E+02   -.248E-01 0.890E-02 -.284E-02   -.526E-03 0.310E-03 -.143E-04
   -.172E+02 0.207E+02 0.271E+02   0.174E+02 -.209E+02 -.270E+02   -.222E+00 0.145E+00 -.557E-01   -.664E-03 0.391E-03 0.117E-04
   -.265E+02 0.153E+02 0.696E+02   0.275E+02 -.159E+02 -.717E+02   -.977E+00 0.564E+00 0.210E+01   -.524E-03 0.305E-03 0.380E-03
   0.123E+02 -.335E+02 0.462E+02   -.124E+02 0.342E+02 -.465E+02   0.904E-01 -.681E+00 0.352E+00   -.656E-03 0.235E-03 0.449E-04
   0.604E+01 -.132E+02 0.201E+02   -.605E+01 0.133E+02 -.201E+02   0.616E-02 -.755E-01 -.770E-02   -.481E-03 0.303E-03 -.353E-04
   -.616E+00 -.373E+01 0.149E+02   0.621E+00 0.375E+01 -.149E+02   -.579E-02 -.197E-01 -.256E-02   -.535E-03 0.292E-03 0.405E-04
   -.917E+01 0.529E+01 0.154E+02   0.918E+01 -.530E+01 -.155E+02   -.190E-01 0.109E-01 0.137E-02   -.618E-03 0.363E-03 0.236E-04
   -.265E+02 0.450E+01 0.271E+02   0.268E+02 -.462E+01 -.270E+02   -.237E+00 0.120E+00 -.557E-01   -.665E-03 0.385E-03 0.166E-04
   -.215E+02 -.227E+02 0.400E+02   0.216E+02 0.229E+02 -.400E+02   -.117E+00 -.228E+00 -.147E-01   -.501E-03 0.405E-03 -.626E-04
   -.274E+01 -.182E+02 0.245E+02   0.275E+01 0.183E+02 -.245E+02   -.101E-01 -.111E+00 -.108E-01   -.529E-03 0.229E-03 0.321E-04
   0.196E+01 -.113E+01 0.169E+02   -.197E+01 0.114E+01 -.169E+02   0.873E-02 -.504E-02 -.689E-02   -.527E-03 0.307E-03 0.971E-04
   0.292E+01 0.240E+01 0.149E+02   -.294E+01 -.241E+01 -.149E+02   0.142E-01 0.149E-01 -.256E-02   -.517E-03 0.325E-03 0.442E-04
   -.454E+01 0.103E+01 0.164E+02   0.456E+01 -.105E+01 -.164E+02   -.201E-01 0.171E-01 -.284E-02   -.529E-03 0.305E-03 -.594E-05
   -.113E+02 -.504E+01 0.183E+02   0.113E+02 0.505E+01 -.183E+02   -.232E-01 -.886E-02 -.557E-01   -.576E-03 0.324E-03 0.249E-04
   -.579E+01 -.691E+01 0.196E+02   0.580E+01 0.694E+01 -.196E+02   -.632E-02 -.328E-01 -.207E-01   -.610E-03 0.377E-03 0.945E-04
 -----------------------------------------------------------------------------------------------
   -.182E-02 0.308E-03 0.858E+01   -.258E-13 0.711E-13 -.320E-12   -.260E-15 0.361E-15 -.859E+01   0.115E-07 -.939E-08 -.498E-03
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85300      6.06082     12.33224         0.000000      0.000000      0.009288
      2.26023      6.76616     13.65159         0.005702      0.009876      0.012954
      1.44578      5.35549     13.65159        -0.005702     -0.009876      0.012954
      0.00053     -0.00031      9.95768         0.001088     -0.000628     -0.003300
     11.11234      2.13945      9.95949         0.001099     -0.002322     -0.003946
      9.87686      4.27898      9.97098        -0.001930     -0.000032     -0.001249
      8.64352      6.41832      9.96990        -0.000146      0.000876     -0.000125
     -4.93623      8.55548      9.96577         0.000667     -0.000696     -0.002167
      2.47023     -0.00108      9.96577         0.000936     -0.000229     -0.002167
      1.23473      2.13605      9.97071         0.001639      0.003014     -0.002294
     -0.00395      4.27491      9.99866         0.000802     -0.003478      0.003501
     -1.23843      6.41602     10.00465         0.000524     -0.001801      0.002369
     -2.46712      8.55505      9.97819         0.003112     -0.001796     -0.000864
      4.93866      0.00132      9.96990        -0.000831     -0.000311     -0.000125
      3.70495      2.13649      9.97769        -0.001057      0.001773      0.001952
      2.47078      4.26307     10.04228         0.002845      0.000567      0.002277
      1.22839      6.42145     10.11470         0.003807     -0.002198     -0.008189
     -0.00033      8.56049     10.00465         0.001822      0.000447      0.002369
      7.40806      0.00289      9.97098        -0.000937      0.001687     -0.001249
      6.17352      2.14013      9.97106         0.000047     -0.001137     -0.000915
      4.94045      4.27829      9.99907         0.002059     -0.001189     -0.001421
      3.71879      6.42470     10.04228         0.000931     -0.002747      0.002277
      2.47117      8.56195      9.99866         0.003413      0.001045      0.003501
      9.87868      0.00269      9.95949         0.002560      0.000209     -0.003946
      8.64282      2.14073      9.96227         0.000720     -0.000416     -0.002629
      7.40868      4.27949      9.97106         0.001008      0.000528     -0.000915
      6.17755      6.41916      9.97769        -0.002064      0.000029      0.001952
      4.94282      8.55866      9.97071        -0.001791     -0.002927     -0.002294
     -0.00039      1.42473      9.95949        -0.002560     -0.000209     -0.003946
     -1.23681      3.56299      9.97071         0.001791      0.002927     -0.002294
     -2.47155      5.70249      9.97769         0.002064     -0.000029      0.001952
     -3.70268      7.84216      9.97106        -0.001008     -0.000528     -0.000915
     -4.93681      9.98092      9.96227        -0.000720      0.000416     -0.002629
      2.47023      1.42454      9.97098         0.000937     -0.001687     -0.001249
      1.23484      3.55970      9.99866        -0.003413     -0.001045      0.003501
     -0.01279      5.69695     10.04228        -0.000931      0.002747      0.002277
     -1.23445      7.84336      9.99907        -0.002059      0.001189     -0.001421
     -2.46752      9.98151      9.97106        -0.000047      0.001137     -0.000915
      4.93963      1.42611      9.96990         0.000831      0.000311     -0.000125
      3.70633      3.56116     10.00465        -0.001822     -0.000447      0.002369
      2.47762      5.70020     10.11470        -0.003807      0.002198     -0.008189
      1.23523      7.85858     10.04228        -0.002845     -0.000567      0.002277
      0.00106      9.98516      9.97769         0.001057     -0.001773      0.001952
      7.40806      1.42851      9.96577        -0.000936      0.000229     -0.002167
      6.17313      3.56660      9.97819        -0.003112      0.001796     -0.000864
      4.94444      5.70563     10.00465        -0.000524      0.001801      0.002369
      3.70996      7.84673      9.99866        -0.000802      0.003478      0.003501
      2.47128      9.98560      9.97071        -0.001639     -0.003014     -0.002294
      9.87776      1.42773      9.95768        -0.001088      0.000628     -0.003300
      8.64224      3.56617      9.96577        -0.000667      0.000696     -0.002167
      7.41010      5.70509      9.96990         0.000146     -0.000876     -0.000125
      6.17676      7.84443      9.97098         0.001930      0.000032     -0.001249
      4.94128      9.98396      9.95949        -0.001099      0.002322     -0.003946
 -----------------------------------------------------------------------------------
    total drift:                               -0.001816      0.000308     -0.013045


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




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


    WAVPRE:  VPU time    1.98: 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  190.52: CPU time   95.68
     LOOP+:  VPU time 5028.65: CPU time 2582.55


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


    POTLOK:  VPU time    9.23: CPU time    9.17
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1211.72: CPU time  624.59
 BZINTS: Fermi energy: -3.152715;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   90.72: CPU time   45.65
    MIXING:  VPU time    0.12: CPU time    0.12
    ------------------------------------------
      LOOP:  VPU time 1312.19: CPU time  679.90

 eigenvalue-minimisations  :  3824
 total energy-change (2. order) :-0.4716448E+03  (-0.1947539E-05)
 number of electron  212.0000029 magnetization    0.0000000
 augmentation part     7.9600584 magnetization   -0.0000001

 Broyden mixing:
  rms(total) = 0.21991E-03    rms(broyden)= 0.21987E-03
  rms(prec ) = 0.23425E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34044.97038518
  -1/2 Hartree   DENC   =    -40945.07206084
  -V(xc)+E(xc)   XCENC  =       726.60828461
  PAW double counting   =      4092.86570745    -4131.25040173
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.20652055
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64475228 eV

  energy without entropy =     -471.64475228  energy(sigma->0) =     -471.64475228


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




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


    POTLOK:  VPU time    7.76: CPU time    7.76
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1099.41: CPU time  561.73
 BZINTS: Fermi energy: -3.152490;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1107.52: CPU time  569.81

 eigenvalue-minimisations  :  3984
 total energy-change (2. order) :-0.1109747E-06  (-0.1310876E-06)
 number of electron  212.0000029 magnetization    0.0000000
 augmentation part     7.9600584 magnetization   -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34044.97038518
  -1/2 Hartree   DENC   =    -40945.07489082
  -V(xc)+E(xc)   XCENC  =       726.60836216
  PAW double counting   =      4092.86808118    -4131.25276470
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.20377899
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64475240 eV

  energy without entropy =     -471.64475240  energy(sigma->0) =     -471.64475240


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




 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 -58.5416       2 -39.9852       3 -39.9852       4 -58.2440       5 -58.2485
       6 -58.2557       7 -58.2466       8 -58.2447       9 -58.2447      10 -58.2606
      11 -58.3154      12 -58.2923      13 -58.2498      14 -58.2466      15 -58.2575
      16 -58.4379      17 -58.7320      18 -58.2923      19 -58.2557      20 -58.2501
      21 -58.2773      22 -58.4379      23 -58.3154      24 -58.2485      25 -58.2434
      26 -58.2501      27 -58.2576      28 -58.2606      29 -58.2484      30 -58.2605
      31 -58.2574      32 -58.2501      33 -58.2433      34 -58.2556      35 -58.3153
      36 -58.4378      37 -58.2772      38 -58.2501      39 -58.2465      40 -58.2922
      41 -58.7319      42 -58.4378      43 -58.2574      44 -58.2446      45 -58.2496
      46 -58.2922      47 -58.3153      48 -58.2605      49 -58.2439      50 -58.2446
      51 -58.2465      52 -58.2556      53 -58.2484
 
 
 
 E-fermi :  -3.1525     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     -22.3559      1.00000
      2     -21.5364      1.00000
      3     -21.4064      1.00000
      4     -21.4055      1.00000
      5     -21.3743      1.00000
      6     -21.3652      1.00000
      7     -21.3579      1.00000
      8     -19.6459      1.00000
      9     -19.5717      1.00000
     10     -19.5646      1.00000
     11     -19.5581      1.00000
     12     -19.5397      1.00000
     13     -19.5368      1.00000
     14     -18.7278      1.00000
     15     -18.6793      1.00000
     16     -18.6717      1.00000
     17     -18.6581      1.00000
     18     -18.6426      1.00000
     19     -18.6408      1.00000
     20     -16.5858      1.00000
     21     -16.5262      1.00000
     22     -16.5236      1.00000
     23     -16.5104      1.00000
     24     -16.4865      1.00000
     25     -16.4847      1.00000
     26     -15.5581      1.00000
     27     -15.5259      1.00000
     28     -15.5250      1.00000
     29     -15.4995      1.00000
     30     -15.4942      1.00000
     31     -15.4884      1.00000
     32     -14.2061      1.00000
     33     -14.1800      1.00000
     34     -14.1668      1.00000
     35     -14.1647      1.00000
     36     -14.1594      1.00000
     37     -14.1481      1.00000
     38     -11.8842      1.00000
     39     -11.8076      1.00000
     40     -11.7920      1.00000
     41     -11.7916      1.00000
     42     -11.7884      1.00000
     43     -11.7828      1.00000
     44     -11.7043      1.00000
     45     -11.6976      1.00000
     46     -11.6724      1.00000
     47     -11.6574      1.00000
     48     -11.6571      1.00000
     49     -11.6501      1.00000
     50     -10.6748      1.00000
     51     -10.3287      1.00000
     52     -10.3210      1.00000
     53     -10.3053      1.00000
     54     -10.3036      1.00000
     55     -10.2905      1.00000
     56     -10.2773      1.00000
     57      -9.9286      1.00000
     58      -9.3726      1.00000
     59      -9.3590      1.00000
     60      -9.2997      1.00000
     61      -9.2915      1.00000
     62      -9.2847      1.00000
     63      -9.0920      1.00000
     64      -9.0541      1.00000
     65      -9.0489      1.00000
     66      -9.0266      1.00000
     67      -9.0064      1.00000
     68      -9.0014      1.00000
     69      -9.0002      1.00000
     70      -8.9948      1.00000
     71      -8.9915      1.00000
     72      -8.9724      1.00000
     73      -8.9645      1.00000
     74      -8.9534      1.00000
     75      -8.5012      1.00000
     76      -7.5156      1.00000
     77      -7.4103      1.00000
     78      -7.4100      1.00000
     79      -7.4011      1.00000
     80      -7.3836      1.00000
     81      -7.3635      1.00000
     82      -7.3412      1.00000
     83      -7.3080      1.00000
     84      -7.2689      1.00000
     85      -7.2062      1.00000
     86      -7.1797      1.00000
     87      -7.1793      1.00000
     88      -7.0750      1.00000
     89      -6.5095      1.00000
     90      -6.4612      1.00000
     91      -6.3549      1.00000
     92      -6.2930      1.00000
     93      -6.2873      1.00000
     94      -6.2860      1.00000
     95      -5.8967      1.00000
     96      -5.8846      1.00000
     97      -5.0507      1.00000
     98      -4.9381      1.00000
     99      -4.5398      1.00000
    100      -4.3401      1.00000
    101      -4.3177      1.00000
    102      -4.3167      1.00000
    103      -4.1152      1.00000
    104      -3.9131      1.00000
    105      -3.9012      1.00000
    106      -3.8351      1.00000
    107      -1.6812      0.00000
    108      -1.6676      0.00000
    109      -1.5367      0.00000
    110      -1.5350      0.00000
    111      -1.5218      0.00000
    112      -1.5088      0.00000
    113      -0.5842      0.00000
    114       0.1343      0.00000
    115       0.2059      0.00000
    116       0.3249      0.00000
    117       0.3269      0.00000
    118       0.3342      0.00000
    119       0.4966      0.00000
    120       0.5975      0.00000
    121       1.2597      0.00000
    122       1.2757      0.00000
    123       1.5300      0.00000
    124       1.7957      0.00000
    125       1.8048      0.00000
    126       1.8083      0.00000
    127       1.8131      0.00000
    128       1.9465      0.00000
    129       1.9815      0.00000
    130       2.0321      0.00000
    131       2.0455      0.00000
    132       2.0507      0.00000
    133       2.0553      0.00000
    134       2.0619      0.00000
    135       2.3093      0.00000
    136       2.3242      0.00000
    137       2.6150      0.00000
    138       2.6231      0.00000
    139       2.6520      0.00000
    140       2.7289      0.00000
    141       2.8626      0.00000
    142       3.0254      0.00000
    143       3.0545      0.00000
    144       3.0863      0.00000
    145       3.1013      0.00000
    146       3.1022      0.00000
    147       3.1030      0.00000
    148       3.2360      0.00000
    149       3.4518      0.00000
    150       3.5403      0.00000
    151       3.7851      0.00000
    152       3.9444      0.00000
    153       3.9470      0.00000
    154       3.9574      0.00000
    155       3.9621      0.00000
    156       3.9979      0.00000
    157       4.1840      0.00000
    158       4.2725      0.00000
    159       4.2889      0.00000
    160       4.2890      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3193      1.00000
      2     -21.7608      1.00000
      3     -21.5701      1.00000
      4     -21.5372      1.00000
      5     -21.2073      1.00000
      6     -21.1623      1.00000
      7     -20.9866      1.00000
      8     -20.1013      1.00000
      9     -20.0570      1.00000
     10     -19.5458      1.00000
     11     -19.5210      1.00000
     12     -19.3486      1.00000
     13     -19.0243      1.00000
     14     -18.9890      1.00000
     15     -18.9809      1.00000
     16     -18.9686      1.00000
     17     -18.2970      1.00000
     18     -18.2775      1.00000
     19     -17.9515      1.00000
     20     -17.0094      1.00000
     21     -16.9591      1.00000
     22     -16.8781      1.00000
     23     -16.8683      1.00000
     24     -16.4044      1.00000
     25     -16.3896      1.00000
     26     -15.5514      1.00000
     27     -15.5354      1.00000
     28     -15.1973      1.00000
     29     -15.1686      1.00000
     30     -15.1143      1.00000
     31     -15.0272      1.00000
     32     -15.0025      1.00000
     33     -14.6358      1.00000
     34     -14.6239      1.00000
     35     -13.6670      1.00000
     36     -13.6515      1.00000
     37     -13.1693      1.00000
     38     -12.5507      1.00000
     39     -12.5175      1.00000
     40     -12.3906      1.00000
     41     -12.3775      1.00000
     42     -12.0571      1.00000
     43     -12.0340      1.00000
     44     -11.6590      1.00000
     45     -11.6165      1.00000
     46     -11.1806      1.00000
     47     -11.1565      1.00000
     48     -10.9649      1.00000
     49     -10.9403      1.00000
     50     -10.8734      1.00000
     51     -10.8368      1.00000
     52     -10.6029      1.00000
     53     -10.0936      1.00000
     54     -10.0885      1.00000
     55     -10.0466      1.00000
     56      -9.9705      1.00000
     57      -9.6541      1.00000
     58      -9.6290      1.00000
     59      -9.5915      1.00000
     60      -9.5293      1.00000
     61      -9.5104      1.00000
     62      -9.4785      1.00000
     63      -9.2645      1.00000
     64      -9.2409      1.00000
     65      -9.2205      1.00000
     66      -9.1657      1.00000
     67      -9.0681      1.00000
     68      -9.0466      1.00000
     69      -9.0404      1.00000
     70      -8.8824      1.00000
     71      -8.8058      1.00000
     72      -8.5787      1.00000
     73      -8.5221      1.00000
     74      -8.4613      1.00000
     75      -8.0350      1.00000
     76      -7.8119      1.00000
     77      -7.8068      1.00000
     78      -7.7923      1.00000
     79      -7.6997      1.00000
     80      -7.6905      1.00000
     81      -7.3645      1.00000
     82      -7.2736      1.00000
     83      -7.2640      1.00000
     84      -7.2160      1.00000
     85      -7.1726      1.00000
     86      -7.0083      1.00000
     87      -6.9469      1.00000
     88      -6.7472      1.00000
     89      -6.6720      1.00000
     90      -6.5938      1.00000
     91      -6.5589      1.00000
     92      -6.0505      1.00000
     93      -6.0474      1.00000
     94      -6.0217      1.00000
     95      -5.9582      1.00000
     96      -5.7362      1.00000
     97      -5.1580      1.00000
     98      -4.9906      1.00000
     99      -4.7188      1.00000
    100      -4.6105      1.00000
    101      -4.4402      1.00000
    102      -4.3740      1.00000
    103      -4.1225      1.00000
    104      -3.8683      1.00000
    105      -3.8349      1.00000
    106      -3.7904      1.00000
    107      -1.7850      0.00000
    108      -1.7382      0.00000
    109      -1.3943      0.00000
    110      -1.3459      0.00000
    111      -1.2639      0.00000
    112      -1.2257      0.00000
    113      -0.7445      0.00000
    114      -0.3787      0.00000
    115      -0.2199      0.00000
    116      -0.0177      0.00000
    117       0.5918      0.00000
    118       0.7371      0.00000
    119       0.7642      0.00000
    120       1.0501      0.00000
    121       1.1417      0.00000
    122       1.2512      0.00000
    123       1.2732      0.00000
    124       1.4155      0.00000
    125       1.4808      0.00000
    126       1.5885      0.00000
    127       1.7586      0.00000
    128       1.8412      0.00000
    129       1.8969      0.00000
    130       1.9599      0.00000
    131       2.1084      0.00000
    132       2.2383      0.00000
    133       2.2506      0.00000
    134       2.2983      0.00000
    135       2.4894      0.00000
    136       2.6172      0.00000
    137       2.6387      0.00000
    138       2.7691      0.00000
    139       2.8014      0.00000
    140       2.8571      0.00000
    141       2.8679      0.00000
    142       2.8929      0.00000
    143       2.9603      0.00000
    144       3.0861      0.00000
    145       3.2827      0.00000
    146       3.3103      0.00000
    147       3.3753      0.00000
    148       3.4086      0.00000
    149       3.4680      0.00000
    150       3.5896      0.00000
    151       3.6385      0.00000
    152       3.6706      0.00000
    153       3.7082      0.00000
    154       3.9086      0.00000
    155       3.9448      0.00000
    156       3.9835      0.00000
    157       4.0886      0.00000
    158       4.2068      0.00000
    159       4.2452      0.00000
    160       4.2996      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2137      1.00000
      2     -22.0074      1.00000
      3     -21.6488      1.00000
      4     -21.6116      1.00000
      5     -20.9126      1.00000
      6     -20.8660      1.00000
      7     -20.5453      1.00000
      8     -20.5057      1.00000
      9     -20.4954      1.00000
     10     -19.9631      1.00000
     11     -19.4420      1.00000
     12     -19.4148      1.00000
     13     -19.2412      1.00000
     14     -19.2266      1.00000
     15     -18.3838      1.00000
     16     -18.3394      1.00000
     17     -17.8597      1.00000
     18     -17.8385      1.00000
     19     -17.6976      1.00000
     20     -17.6548      1.00000
     21     -17.3717      1.00000
     22     -17.3556      1.00000
     23     -17.2739      1.00000
     24     -16.4009      1.00000
     25     -16.3860      1.00000
     26     -15.8961      1.00000
     27     -15.3522      1.00000
     28     -15.3368      1.00000
     29     -15.0343      1.00000
     30     -15.0204      1.00000
     31     -14.7993      1.00000
     32     -14.7744      1.00000
     33     -14.2215      1.00000
     34     -14.1896      1.00000
     35     -13.3707      1.00000
     36     -13.3370      1.00000
     37     -13.1196      1.00000
     38     -13.1020      1.00000
     39     -12.9159      1.00000
     40     -12.9024      1.00000
     41     -12.5565      1.00000
     42     -12.5384      1.00000
     43     -12.1329      1.00000
     44     -11.5219      1.00000
     45     -11.4734      1.00000
     46     -11.2535      1.00000
     47     -11.2194      1.00000
     48     -11.0794      1.00000
     49     -10.6603      1.00000
     50     -10.5884      1.00000
     51     -10.5238      1.00000
     52     -10.2575      1.00000
     53     -10.2486      1.00000
     54     -10.1228      1.00000
     55     -10.0484      1.00000
     56     -10.0408      1.00000
     57      -9.7701      1.00000
     58      -9.7052      1.00000
     59      -9.6796      1.00000
     60      -9.6300      1.00000
     61      -9.6260      1.00000
     62      -9.5874      1.00000
     63      -9.2944      1.00000
     64      -9.2851      1.00000
     65      -9.2530      1.00000
     66      -9.0892      1.00000
     67      -8.8969      1.00000
     68      -8.8828      1.00000
     69      -8.7245      1.00000
     70      -8.5896      1.00000
     71      -8.5138      1.00000
     72      -8.3306      1.00000
     73      -8.3024      1.00000
     74      -8.2644      1.00000
     75      -8.2323      1.00000
     76      -8.1947      1.00000
     77      -8.1856      1.00000
     78      -8.1704      1.00000
     79      -8.1024      1.00000
     80      -7.6883      1.00000
     81      -7.3574      1.00000
     82      -7.3102      1.00000
     83      -7.2643      1.00000
     84      -7.1876      1.00000
     85      -7.1253      1.00000
     86      -7.0767      1.00000
     87      -6.9068      1.00000
     88      -6.8822      1.00000
     89      -6.5491      1.00000
     90      -6.4924      1.00000
     91      -6.2096      1.00000
     92      -6.0702      1.00000
     93      -5.9421      1.00000
     94      -5.7158      1.00000
     95      -5.6329      1.00000
     96      -5.4525      1.00000
     97      -5.3052      1.00000
     98      -5.2338      1.00000
     99      -5.1518      1.00000
    100      -5.1513      1.00000
    101      -4.5237      1.00000
    102      -4.4710      1.00000
    103      -4.1441      1.00000
    104      -3.8380      1.00000
    105      -3.7572      1.00000
    106      -3.6793      1.00000
    107      -1.8708      0.00000
    108      -1.8236      0.00000
    109      -1.2768      0.00000
    110      -1.0359      0.00000
    111      -1.0115      0.00000
    112      -0.7119      0.00000
    113      -0.6397      0.00000
    114      -0.5880      0.00000
    115      -0.5458      0.00000
    116      -0.2012      0.00000
    117       0.2528      0.00000
    118       0.2788      0.00000
    119       0.7622      0.00000
    120       0.9468      0.00000
    121       1.1329      0.00000
    122       1.2270      0.00000
    123       1.3213      0.00000
    124       1.4138      0.00000
    125       1.6024      0.00000
    126       1.6342      0.00000
    127       1.7031      0.00000
    128       1.8253      0.00000
    129       1.9223      0.00000
    130       2.0145      0.00000
    131       2.1086      0.00000
    132       2.3308      0.00000
    133       2.3966      0.00000
    134       2.4345      0.00000
    135       2.5440      0.00000
    136       2.6354      0.00000
    137       2.7564      0.00000
    138       2.8237      0.00000
    139       2.8343      0.00000
    140       2.8882      0.00000
    141       3.0435      0.00000
    142       3.0916      0.00000
    143       3.1893      0.00000
    144       3.2420      0.00000
    145       3.3901      0.00000
    146       3.4241      0.00000
    147       3.4836      0.00000
    148       3.5759      0.00000
    149       3.6033      0.00000
    150       3.6283      0.00000
    151       3.6528      0.00000
    152       3.7439      0.00000
    153       3.7736      0.00000
    154       3.7901      0.00000
    155       3.8082      0.00000
    156       3.8993      0.00000
    157       3.9792      0.00000
    158       4.0133      0.00000
    159       4.1785      0.00000
    160       4.2407      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2475      1.00000
      2     -21.8932      1.00000
      3     -21.8225      1.00000
      4     -21.3112      1.00000
      5     -21.2809      1.00000
      6     -20.7700      1.00000
      7     -20.7040      1.00000
      8     -20.5556      1.00000
      9     -20.0082      1.00000
     10     -20.0009      1.00000
     11     -19.6474      1.00000
     12     -19.6230      1.00000
     13     -18.9289      1.00000
     14     -18.9205      1.00000
     15     -18.5701      1.00000
     16     -18.5561      1.00000
     17     -18.3933      1.00000
     18     -17.6145      1.00000
     19     -17.5581      1.00000
     20     -17.5530      1.00000
     21     -17.5115      1.00000
     22     -17.0554      1.00000
     23     -17.0375      1.00000
     24     -16.8910      1.00000
     25     -15.9292      1.00000
     26     -15.8668      1.00000
     27     -15.5160      1.00000
     28     -15.5149      1.00000
     29     -15.2279      1.00000
     30     -14.7941      1.00000
     31     -14.7666      1.00000
     32     -14.5147      1.00000
     33     -14.4706      1.00000
     34     -14.1013      1.00000
     35     -14.0902      1.00000
     36     -13.0759      1.00000
     37     -13.0324      1.00000
     38     -12.9664      1.00000
     39     -12.9542      1.00000
     40     -12.6448      1.00000
     41     -12.6383      1.00000
     42     -12.2736      1.00000
     43     -12.2422      1.00000
     44     -11.5875      1.00000
     45     -11.5602      1.00000
     46     -11.5058      1.00000
     47     -10.9046      1.00000
     48     -10.8505      1.00000
     49     -10.6218      1.00000
     50     -10.5588      1.00000
     51     -10.4849      1.00000
     52     -10.4332      1.00000
     53     -10.4233      1.00000
     54     -10.3706      1.00000
     55     -10.2933      1.00000
     56     -10.0652      1.00000
     57      -9.8327      1.00000
     58      -9.5479      1.00000
     59      -9.4878      1.00000
     60      -9.4719      1.00000
     61      -9.3458      1.00000
     62      -9.3301      1.00000
     63      -9.3098      1.00000
     64      -9.3079      1.00000
     65      -9.2140      1.00000
     66      -9.1118      1.00000
     67      -9.0803      1.00000
     68      -9.0490      1.00000
     69      -8.8486      1.00000
     70      -8.7925      1.00000
     71      -8.7735      1.00000
     72      -8.5266      1.00000
     73      -8.4755      1.00000
     74      -8.2229      1.00000
     75      -8.1098      1.00000
     76      -8.0989      1.00000
     77      -7.8077      1.00000
     78      -7.7839      1.00000
     79      -7.7814      1.00000
     80      -7.6733      1.00000
     81      -7.6312      1.00000
     82      -7.6301      1.00000
     83      -7.4007      1.00000
     84      -7.3244      1.00000
     85      -7.2003      1.00000
     86      -6.8392      1.00000
     87      -6.8289      1.00000
     88      -6.6626      1.00000
     89      -6.5382      1.00000
     90      -6.3445      1.00000
     91      -6.3074      1.00000
     92      -6.1838      1.00000
     93      -6.1473      1.00000
     94      -5.9772      1.00000
     95      -5.5724      1.00000
     96      -5.4258      1.00000
     97      -5.2584      1.00000
     98      -5.2520      1.00000
     99      -5.1488      1.00000
    100      -4.6956      1.00000
    101      -4.6649      1.00000
    102      -4.3492      1.00000
    103      -4.3166      1.00000
    104      -3.9652      1.00000
    105      -3.8315      1.00000
    106      -3.3891      1.00000
    107      -2.2199      0.00000
    108      -1.3766      0.00000
    109      -1.2862      0.00000
    110      -1.1729      0.00000
    111      -1.0774      0.00000
    112      -0.8935      0.00000
    113      -0.7677      0.00000
    114      -0.7570      0.00000
    115      -0.2169      0.00000
    116       0.1138      0.00000
    117       0.2638      0.00000
    118       0.3461      0.00000
    119       0.7359      0.00000
    120       0.9039      0.00000
    121       0.9723      0.00000
    122       1.0957      0.00000
    123       1.2105      0.00000
    124       1.5307      0.00000
    125       1.5655      0.00000
    126       1.7178      0.00000
    127       1.8391      0.00000
    128       1.8627      0.00000
    129       1.9707      0.00000
    130       2.0017      0.00000
    131       2.1606      0.00000
    132       2.2705      0.00000
    133       2.4580      0.00000
    134       2.4703      0.00000
    135       2.5072      0.00000
    136       2.6665      0.00000
    137       2.6873      0.00000
    138       2.7343      0.00000
    139       2.7454      0.00000
    140       2.8953      0.00000
    141       3.0247      0.00000
    142       3.0844      0.00000
    143       3.1946      0.00000
    144       3.2564      0.00000
    145       3.2607      0.00000
    146       3.2717      0.00000
    147       3.3623      0.00000
    148       3.4849      0.00000
    149       3.5315      0.00000
    150       3.6988      0.00000
    151       3.7613      0.00000
    152       3.7710      0.00000
    153       3.8371      0.00000
    154       3.8823      0.00000
    155       3.9454      0.00000
    156       3.9850      0.00000
    157       4.0239      0.00000
    158       4.0519      0.00000
    159       4.0578      0.00000
    160       4.0935      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1415      1.00000
      2     -22.0463      1.00000
      3     -21.8861      1.00000
      4     -21.3342      1.00000
      5     -20.9813      1.00000
      6     -20.9427      1.00000
      7     -20.4330      1.00000
      8     -20.3902      1.00000
      9     -20.2261      1.00000
     10     -20.2046      1.00000
     11     -19.8886      1.00000
     12     -19.8210      1.00000
     13     -18.8144      1.00000
     14     -18.7433      1.00000
     15     -18.2896      1.00000
     16     -18.2360      1.00000
     17     -18.0855      1.00000
     18     -18.0653      1.00000
     19     -17.7611      1.00000
     20     -17.7187      1.00000
     21     -17.1884      1.00000
     22     -17.1696      1.00000
     23     -17.0992      1.00000
     24     -17.0634      1.00000
     25     -16.0375      1.00000
     26     -15.8225      1.00000
     27     -15.7992      1.00000
     28     -15.7643      1.00000
     29     -15.1734      1.00000
     30     -14.4908      1.00000
     31     -14.4580      1.00000
     32     -14.2175      1.00000
     33     -13.8947      1.00000
     34     -13.8899      1.00000
     35     -13.7556      1.00000
     36     -13.7356      1.00000
     37     -13.5514      1.00000
     38     -13.5027      1.00000
     39     -13.2996      1.00000
     40     -12.5640      1.00000
     41     -12.1251      1.00000
     42     -12.0657      1.00000
     43     -12.0096      1.00000
     44     -11.9512      1.00000
     45     -11.6107      1.00000
     46     -11.5878      1.00000
     47     -11.0852      1.00000
     48     -11.0516      1.00000
     49     -10.7533      1.00000
     50     -10.6636      1.00000
     51     -10.5272      1.00000
     52     -10.1486      1.00000
     53     -10.1380      1.00000
     54     -10.0956      1.00000
     55      -9.9528      1.00000
     56      -9.9475      1.00000
     57      -9.9167      1.00000
     58      -9.7375      1.00000
     59      -9.7309      1.00000
     60      -9.7005      1.00000
     61      -9.6906      1.00000
     62      -9.4298      1.00000
     63      -9.3627      1.00000
     64      -9.0870      1.00000
     65      -9.0064      1.00000
     66      -8.9743      1.00000
     67      -8.8876      1.00000
     68      -8.8110      1.00000
     69      -8.6582      1.00000
     70      -8.6348      1.00000
     71      -8.5790      1.00000
     72      -8.4779      1.00000
     73      -8.4673      1.00000
     74      -8.3979      1.00000
     75      -8.3939      1.00000
     76      -8.1835      1.00000
     77      -8.1144      1.00000
     78      -7.9768      1.00000
     79      -7.9155      1.00000
     80      -7.8467      1.00000
     81      -7.6180      1.00000
     82      -7.5297      1.00000
     83      -7.4689      1.00000
     84      -7.2574      1.00000
     85      -6.9347      1.00000
     86      -6.8575      1.00000
     87      -6.8109      1.00000
     88      -6.5752      1.00000
     89      -6.4668      1.00000
     90      -6.4201      1.00000
     91      -6.3563      1.00000
     92      -6.0526      1.00000
     93      -5.8780      1.00000
     94      -5.7529      1.00000
     95      -5.7214      1.00000
     96      -5.4774      1.00000
     97      -5.3463      1.00000
     98      -5.1800      1.00000
     99      -5.1558      1.00000
    100      -5.1544      1.00000
    101      -4.7077      1.00000
    102      -4.4413      1.00000
    103      -4.2565      1.00000
    104      -3.9969      1.00000
    105      -3.8304      1.00000
    106      -3.1556      1.00000
    107      -2.4627      0.00000
    108      -1.3785      0.00000
    109      -1.2411      0.00000
    110      -1.1458      0.00000
    111      -1.1142      0.00000
    112      -0.5630      0.00000
    113      -0.4344      0.00000
    114      -0.4294      0.00000
    115      -0.3099      0.00000
    116      -0.1897      0.00000
    117       0.0621      0.00000
    118       0.1176      0.00000
    119       0.5405      0.00000
    120       0.6844      0.00000
    121       0.8728      0.00000
    122       0.9699      0.00000
    123       1.1129      0.00000
    124       1.4971      0.00000
    125       1.6638      0.00000
    126       1.8060      0.00000
    127       1.8788      0.00000
    128       2.0952      0.00000
    129       2.1402      0.00000
    130       2.1984      0.00000
    131       2.2158      0.00000
    132       2.3404      0.00000
    133       2.3633      0.00000
    134       2.4892      0.00000
    135       2.5819      0.00000
    136       2.6707      0.00000
    137       2.8803      0.00000
    138       2.9381      0.00000
    139       2.9675      0.00000
    140       2.9939      0.00000
    141       3.0428      0.00000
    142       3.1521      0.00000
    143       3.1822      0.00000
    144       3.2476      0.00000
    145       3.2921      0.00000
    146       3.3337      0.00000
    147       3.3504      0.00000
    148       3.3810      0.00000
    149       3.4162      0.00000
    150       3.4980      0.00000
    151       3.5567      0.00000
    152       3.6357      0.00000
    153       3.6965      0.00000
    154       3.7113      0.00000
    155       3.7285      0.00000
    156       3.9218      0.00000
    157       3.9376      0.00000
    158       4.0611      0.00000
    159       4.0922      0.00000
    160       4.2049      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2473      1.00000
      2     -21.8947      1.00000
      3     -21.8210      1.00000
      4     -21.3158      1.00000
      5     -21.2768      1.00000
      6     -20.7710      1.00000
      7     -20.7020      1.00000
      8     -20.5540      1.00000
      9     -20.0224      1.00000
     10     -19.9899      1.00000
     11     -19.6499      1.00000
     12     -19.6187      1.00000
     13     -18.9430      1.00000
     14     -18.9081      1.00000
     15     -18.5836      1.00000
     16     -18.5461      1.00000
     17     -18.3916      1.00000
     18     -17.6016      1.00000
     19     -17.5702      1.00000
     20     -17.5407      1.00000
     21     -17.5080      1.00000
     22     -17.0740      1.00000
     23     -17.0270      1.00000
     24     -16.8996      1.00000
     25     -15.9450      1.00000
     26     -15.8507      1.00000
     27     -15.5329      1.00000
     28     -15.5061      1.00000
     29     -15.2089      1.00000
     30     -14.8135      1.00000
     31     -14.7609      1.00000
     32     -14.5091      1.00000
     33     -14.4674      1.00000
     34     -14.0958      1.00000
     35     -14.0927      1.00000
     36     -13.1044      1.00000
     37     -13.0292      1.00000
     38     -12.9563      1.00000
     39     -12.9491      1.00000
     40     -12.6555      1.00000
     41     -12.6269      1.00000
     42     -12.2737      1.00000
     43     -12.2467      1.00000
     44     -11.5728      1.00000
     45     -11.5532      1.00000
     46     -11.5002      1.00000
     47     -10.8779      1.00000
     48     -10.8687      1.00000
     49     -10.6833      1.00000
     50     -10.5247      1.00000
     51     -10.5203      1.00000
     52     -10.4331      1.00000
     53     -10.4153      1.00000
     54     -10.3697      1.00000
     55     -10.2874      1.00000
     56     -10.0608      1.00000
     57      -9.8315      1.00000
     58      -9.5589      1.00000
     59      -9.4842      1.00000
     60      -9.4449      1.00000
     61      -9.3554      1.00000
     62      -9.3386      1.00000
     63      -9.3073      1.00000
     64      -9.3020      1.00000
     65      -9.2056      1.00000
     66      -9.0991      1.00000
     67      -9.0679      1.00000
     68      -9.0488      1.00000
     69      -8.8518      1.00000
     70      -8.7964      1.00000
     71      -8.7777      1.00000
     72      -8.5266      1.00000
     73      -8.4973      1.00000
     74      -8.2280      1.00000
     75      -8.1293      1.00000
     76      -8.0925      1.00000
     77      -7.8066      1.00000
     78      -7.7671      1.00000
     79      -7.7388      1.00000
     80      -7.7031      1.00000
     81      -7.6351      1.00000
     82      -7.6245      1.00000
     83      -7.3879      1.00000
     84      -7.3442      1.00000
     85      -7.2198      1.00000
     86      -6.8434      1.00000
     87      -6.8201      1.00000
     88      -6.6402      1.00000
     89      -6.5292      1.00000
     90      -6.3409      1.00000
     91      -6.2728      1.00000
     92      -6.1952      1.00000
     93      -6.1315      1.00000
     94      -6.0213      1.00000
     95      -5.6382      1.00000
     96      -5.5086      1.00000
     97      -5.2975      1.00000
     98      -5.1558      1.00000
     99      -5.0403      1.00000
    100      -4.7269      1.00000
    101      -4.6854      1.00000
    102      -4.3679      1.00000
    103      -4.1860      1.00000
    104      -4.0100      1.00000
    105      -3.8299      1.00000
    106      -3.4836      1.00000
    107      -2.1640      0.00000
    108      -1.3830      0.00000
    109      -1.2354      0.00000
    110      -1.1844      0.00000
    111      -1.0138      0.00000
    112      -0.9556      0.00000
    113      -0.7971      0.00000
    114      -0.7518      0.00000
    115      -0.3645      0.00000
    116       0.2454      0.00000
    117       0.2769      0.00000
    118       0.3649      0.00000
    119       0.7019      0.00000
    120       0.8693      0.00000
    121       0.9659      0.00000
    122       1.1282      0.00000
    123       1.2374      0.00000
    124       1.4572      0.00000
    125       1.5581      0.00000
    126       1.7836      0.00000
    127       1.8517      0.00000
    128       1.8842      0.00000
    129       1.9887      0.00000
    130       2.0333      0.00000
    131       2.1988      0.00000
    132       2.2143      0.00000
    133       2.4047      0.00000
    134       2.4544      0.00000
    135       2.5547      0.00000
    136       2.6588      0.00000
    137       2.6853      0.00000
    138       2.7303      0.00000
    139       2.7696      0.00000
    140       2.8573      0.00000
    141       2.9680      0.00000
    142       3.0837      0.00000
    143       3.1905      0.00000
    144       3.2431      0.00000
    145       3.2595      0.00000
    146       3.2976      0.00000
    147       3.3345      0.00000
    148       3.4847      0.00000
    149       3.5119      0.00000
    150       3.7160      0.00000
    151       3.7261      0.00000
    152       3.7711      0.00000
    153       3.8638      0.00000
    154       3.8767      0.00000
    155       3.9007      0.00000
    156       3.9993      0.00000
    157       4.0004      0.00000
    158       4.0537      0.00000
    159       4.0665      0.00000
    160       4.0956      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3193      1.00000
      2     -21.7611      1.00000
      3     -21.5674      1.00000
      4     -21.5401      1.00000
      5     -21.2046      1.00000
      6     -21.1656      1.00000
      7     -20.9853      1.00000
      8     -20.0983      1.00000
      9     -20.0593      1.00000
     10     -19.5458      1.00000
     11     -19.5257      1.00000
     12     -19.3444      1.00000
     13     -19.0277      1.00000
     14     -18.9876      1.00000
     15     -18.9771      1.00000
     16     -18.9714      1.00000
     17     -18.2955      1.00000
     18     -18.2820      1.00000
     19     -17.9459      1.00000
     20     -17.0003      1.00000
     21     -16.9592      1.00000
     22     -16.8822      1.00000
     23     -16.8693      1.00000
     24     -16.4157      1.00000
     25     -16.3928      1.00000
     26     -15.5405      1.00000
     27     -15.5371      1.00000
     28     -15.1726      1.00000
     29     -15.1710      1.00000
     30     -15.1307      1.00000
     31     -15.0359      1.00000
     32     -15.0006      1.00000
     33     -14.6331      1.00000
     34     -14.6260      1.00000
     35     -13.6626      1.00000
     36     -13.6525      1.00000
     37     -13.1707      1.00000
     38     -12.5729      1.00000
     39     -12.5129      1.00000
     40     -12.3853      1.00000
     41     -12.3847      1.00000
     42     -12.0352      1.00000
     43     -12.0309      1.00000
     44     -11.6548      1.00000
     45     -11.6142      1.00000
     46     -11.2064      1.00000
     47     -11.1569      1.00000
     48     -10.9551      1.00000
     49     -10.9419      1.00000
     50     -10.8603      1.00000
     51     -10.8277      1.00000
     52     -10.6258      1.00000
     53     -10.1470      1.00000
     54     -10.0839      1.00000
     55     -10.0248      1.00000
     56      -9.9462      1.00000
     57      -9.6308      1.00000
     58      -9.6293      1.00000
     59      -9.6029      1.00000
     60      -9.5407      1.00000
     61      -9.5026      1.00000
     62      -9.4784      1.00000
     63      -9.2729      1.00000
     64      -9.2350      1.00000
     65      -9.2067      1.00000
     66      -9.1793      1.00000
     67      -9.0619      1.00000
     68      -9.0467      1.00000
     69      -9.0429      1.00000
     70      -8.8766      1.00000
     71      -8.8084      1.00000
     72      -8.5368      1.00000
     73      -8.5329      1.00000
     74      -8.5020      1.00000
     75      -8.0309      1.00000
     76      -7.8323      1.00000
     77      -7.8006      1.00000
     78      -7.7735      1.00000
     79      -7.7027      1.00000
     80      -7.6842      1.00000
     81      -7.4144      1.00000
     82      -7.2871      1.00000
     83      -7.2511      1.00000
     84      -7.2031      1.00000
     85      -7.0822      1.00000
     86      -7.0751      1.00000
     87      -6.9378      1.00000
     88      -6.7116      1.00000
     89      -6.6743      1.00000
     90      -6.6287      1.00000
     91      -6.5569      1.00000
     92      -6.0716      1.00000
     93      -6.0313      1.00000
     94      -6.0013      1.00000
     95      -5.9368      1.00000
     96      -5.8008      1.00000
     97      -5.1828      1.00000
     98      -4.8961      1.00000
     99      -4.7938      1.00000
    100      -4.6106      1.00000
    101      -4.5123      1.00000
    102      -4.1405      1.00000
    103      -4.0919      1.00000
    104      -3.9306      1.00000
    105      -3.9167      1.00000
    106      -3.8289      1.00000
    107      -1.7515      0.00000
    108      -1.6955      0.00000
    109      -1.4101      0.00000
    110      -1.3707      0.00000
    111      -1.2641      0.00000
    112      -1.2358      0.00000
    113      -0.6228      0.00000
    114      -0.5981      0.00000
    115      -0.1901      0.00000
    116       0.0432      0.00000
    117       0.5854      0.00000
    118       0.7409      0.00000
    119       0.8502      0.00000
    120       0.9290      0.00000
    121       1.1677      0.00000
    122       1.2119      0.00000
    123       1.2479      0.00000
    124       1.4212      0.00000
    125       1.6003      0.00000
    126       1.6415      0.00000
    127       1.7063      0.00000
    128       1.8068      0.00000
    129       1.9230      0.00000
    130       1.9403      0.00000
    131       2.1516      0.00000
    132       2.1746      0.00000
    133       2.2624      0.00000
    134       2.3031      0.00000
    135       2.5445      0.00000
    136       2.5620      0.00000
    137       2.6371      0.00000
    138       2.7623      0.00000
    139       2.8116      0.00000
    140       2.8471      0.00000
    141       2.8939      0.00000
    142       2.9453      0.00000
    143       3.0172      0.00000
    144       3.0298      0.00000
    145       3.0908      0.00000
    146       3.3174      0.00000
    147       3.3710      0.00000
    148       3.4182      0.00000
    149       3.4804      0.00000
    150       3.6050      0.00000
    151       3.6573      0.00000
    152       3.6666      0.00000
    153       3.6805      0.00000
    154       3.8953      0.00000
    155       3.9818      0.00000
    156       4.0297      0.00000
    157       4.0757      0.00000
    158       4.2377      0.00000
    159       4.2575      0.00000
    160       4.2722      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1406      1.00000
      2     -22.0477      1.00000
      3     -21.8856      1.00000
      4     -21.3351      1.00000
      5     -20.9763      1.00000
      6     -20.9468      1.00000
      7     -20.4277      1.00000
      8     -20.3956      1.00000
      9     -20.2156      1.00000
     10     -20.2138      1.00000
     11     -19.8874      1.00000
     12     -19.8236      1.00000
     13     -18.8174      1.00000
     14     -18.7465      1.00000
     15     -18.2655      1.00000
     16     -18.2513      1.00000
     17     -18.0798      1.00000
     18     -18.0733      1.00000
     19     -17.7457      1.00000
     20     -17.7297      1.00000
     21     -17.1946      1.00000
     22     -17.1712      1.00000
     23     -17.0885      1.00000
     24     -17.0676      1.00000
     25     -16.0536      1.00000
     26     -15.8081      1.00000
     27     -15.7986      1.00000
     28     -15.7773      1.00000
     29     -15.1589      1.00000
     30     -14.4854      1.00000
     31     -14.4639      1.00000
     32     -14.2040      1.00000
     33     -13.9162      1.00000
     34     -13.8864      1.00000
     35     -13.7587      1.00000
     36     -13.7385      1.00000
     37     -13.5361      1.00000
     38     -13.5100      1.00000
     39     -13.3010      1.00000
     40     -12.5763      1.00000
     41     -12.1011      1.00000
     42     -12.0768      1.00000
     43     -11.9983      1.00000
     44     -11.9506      1.00000
     45     -11.6056      1.00000
     46     -11.5977      1.00000
     47     -11.0844      1.00000
     48     -11.0610      1.00000
     49     -10.7321      1.00000
     50     -10.6643      1.00000
     51     -10.5608      1.00000
     52     -10.1396      1.00000
     53     -10.1348      1.00000
     54     -10.1003      1.00000
     55      -9.9661      1.00000
     56      -9.9251      1.00000
     57      -9.9209      1.00000
     58      -9.7509      1.00000
     59      -9.7288      1.00000
     60      -9.6973      1.00000
     61      -9.6946      1.00000
     62      -9.4013      1.00000
     63      -9.3890      1.00000
     64      -9.0691      1.00000
     65      -8.9823      1.00000
     66      -8.9811      1.00000
     67      -8.9061      1.00000
     68      -8.8117      1.00000
     69      -8.6495      1.00000
     70      -8.6336      1.00000
     71      -8.5489      1.00000
     72      -8.5020      1.00000
     73      -8.4824      1.00000
     74      -8.3942      1.00000
     75      -8.3821      1.00000
     76      -8.2097      1.00000
     77      -8.1022      1.00000
     78      -8.0070      1.00000
     79      -7.9018      1.00000
     80      -7.8433      1.00000
     81      -7.6217      1.00000
     82      -7.5323      1.00000
     83      -7.4572      1.00000
     84      -7.2541      1.00000
     85      -6.9429      1.00000
     86      -6.8688      1.00000
     87      -6.8094      1.00000
     88      -6.4778      1.00000
     89      -6.4688      1.00000
     90      -6.4090      1.00000
     91      -6.3597      1.00000
     92      -6.1926      1.00000
     93      -5.8579      1.00000
     94      -5.7374      1.00000
     95      -5.7110      1.00000
     96      -5.5245      1.00000
     97      -5.3291      1.00000
     98      -5.1721      1.00000
     99      -5.1673      1.00000
    100      -5.1337      1.00000
    101      -4.6962      1.00000
    102      -4.3483      1.00000
    103      -4.2816      1.00000
    104      -4.0304      1.00000
    105      -3.8313      1.00000
    106      -3.2327      1.00000
    107      -2.4047      0.00000
    108      -1.3449      0.00000
    109      -1.2435      0.00000
    110      -1.1530      0.00000
    111      -1.1082      0.00000
    112      -0.5820      0.00000
    113      -0.5213      0.00000
    114      -0.4336      0.00000
    115      -0.2748      0.00000
    116      -0.0697      0.00000
    117      -0.0103      0.00000
    118       0.0600      0.00000
    119       0.5833      0.00000
    120       0.7110      0.00000
    121       0.8111      0.00000
    122       0.9461      0.00000
    123       1.1849      0.00000
    124       1.5121      0.00000
    125       1.6216      0.00000
    126       1.8625      0.00000
    127       2.0062      0.00000
    128       2.0524      0.00000
    129       2.1157      0.00000
    130       2.1543      0.00000
    131       2.2639      0.00000
    132       2.2861      0.00000
    133       2.3488      0.00000
    134       2.4629      0.00000
    135       2.6118      0.00000
    136       2.7027      0.00000
    137       2.8214      0.00000
    138       2.9151      0.00000
    139       2.9431      0.00000
    140       3.0168      0.00000
    141       3.0497      0.00000
    142       3.1585      0.00000
    143       3.1641      0.00000
    144       3.2261      0.00000
    145       3.3000      0.00000
    146       3.3126      0.00000
    147       3.3543      0.00000
    148       3.3743      0.00000
    149       3.4183      0.00000
    150       3.4533      0.00000
    151       3.5659      0.00000
    152       3.6153      0.00000
    153       3.7031      0.00000
    154       3.7279      0.00000
    155       3.8498      0.00000
    156       3.9068      0.00000
    157       3.9332      0.00000
    158       3.9626      0.00000
    159       4.1499      0.00000
    160       4.1844      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2133      1.00000
      2     -22.0080      1.00000
      3     -21.6461      1.00000
      4     -21.6147      1.00000
      5     -20.9097      1.00000
      6     -20.8688      1.00000
      7     -20.5390      1.00000
      8     -20.5063      1.00000
      9     -20.4995      1.00000
     10     -19.9621      1.00000
     11     -19.4406      1.00000
     12     -19.4187      1.00000
     13     -19.2398      1.00000
     14     -19.2326      1.00000
     15     -18.3760      1.00000
     16     -18.3408      1.00000
     17     -17.8586      1.00000
     18     -17.8425      1.00000
     19     -17.6912      1.00000
     20     -17.6551      1.00000
     21     -17.3721      1.00000
     22     -17.3578      1.00000
     23     -17.2671      1.00000
     24     -16.4133      1.00000
     25     -16.3896      1.00000
     26     -15.9045      1.00000
     27     -15.3434      1.00000
     28     -15.3384      1.00000
     29     -15.0310      1.00000
     30     -15.0211      1.00000
     31     -14.7763      1.00000
     32     -14.7740      1.00000
     33     -14.2374      1.00000
     34     -14.1867      1.00000
     35     -13.3875      1.00000
     36     -13.3331      1.00000
     37     -13.1111      1.00000
     38     -13.1028      1.00000
     39     -12.9177      1.00000
     40     -12.9119      1.00000
     41     -12.5454      1.00000
     42     -12.5374      1.00000
     43     -12.1334      1.00000
     44     -11.5138      1.00000
     45     -11.4690      1.00000
     46     -11.2446      1.00000
     47     -11.2128      1.00000
     48     -11.0865      1.00000
     49     -10.7072      1.00000
     50     -10.5955      1.00000
     51     -10.5094      1.00000
     52     -10.2513      1.00000
     53     -10.2471      1.00000
     54     -10.1220      1.00000
     55     -10.0542      1.00000
     56     -10.0384      1.00000
     57      -9.7852      1.00000
     58      -9.6869      1.00000
     59      -9.6732      1.00000
     60      -9.6374      1.00000
     61      -9.6276      1.00000
     62      -9.5853      1.00000
     63      -9.2956      1.00000
     64      -9.2833      1.00000
     65      -9.2529      1.00000
     66      -9.0662      1.00000
     67      -8.8948      1.00000
     68      -8.8835      1.00000
     69      -8.7182      1.00000
     70      -8.5823      1.00000
     71      -8.5259      1.00000
     72      -8.3509      1.00000
     73      -8.3049      1.00000
     74      -8.2434      1.00000
     75      -8.2380      1.00000
     76      -8.1945      1.00000
     77      -8.1810      1.00000
     78      -8.1693      1.00000
     79      -8.1090      1.00000
     80      -7.6899      1.00000
     81      -7.4195      1.00000
     82      -7.3434      1.00000
     83      -7.2578      1.00000
     84      -7.1686      1.00000
     85      -7.1102      1.00000
     86      -7.0040      1.00000
     87      -6.9038      1.00000
     88      -6.8473      1.00000
     89      -6.5418      1.00000
     90      -6.4984      1.00000
     91      -6.2146      1.00000
     92      -6.2015      1.00000
     93      -5.8944      1.00000
     94      -5.6740      1.00000
     95      -5.6087      1.00000
     96      -5.5802      1.00000
     97      -5.2532      1.00000
     98      -5.2311      1.00000
     99      -5.1648      1.00000
    100      -5.1343      1.00000
    101      -4.6004      1.00000
    102      -4.2514      1.00000
    103      -4.0469      1.00000
    104      -3.8842      1.00000
    105      -3.8432      1.00000
    106      -3.8007      1.00000
    107      -1.8076      0.00000
    108      -1.7800      0.00000
    109      -1.2248      0.00000
    110      -1.1753      0.00000
    111      -0.9736      0.00000
    112      -0.7340      0.00000
    113      -0.6499      0.00000
    114      -0.5935      0.00000
    115      -0.5495      0.00000
    116      -0.1510      0.00000
    117       0.1766      0.00000
    118       0.2881      0.00000
    119       0.7068      0.00000
    120       0.9509      0.00000
    121       1.1689      0.00000
    122       1.2783      0.00000
    123       1.3479      0.00000
    124       1.5139      0.00000
    125       1.6092      0.00000
    126       1.6287      0.00000
    127       1.6927      0.00000
    128       1.7752      0.00000
    129       1.8643      0.00000
    130       2.0802      0.00000
    131       2.1680      0.00000
    132       2.3192      0.00000
    133       2.3955      0.00000
    134       2.4244      0.00000
    135       2.5583      0.00000
    136       2.6260      0.00000
    137       2.6875      0.00000
    138       2.7475      0.00000
    139       2.8186      0.00000
    140       2.9093      0.00000
    141       3.0538      0.00000
    142       3.0628      0.00000
    143       3.1852      0.00000
    144       3.2838      0.00000
    145       3.3807      0.00000
    146       3.4164      0.00000
    147       3.4621      0.00000
    148       3.5466      0.00000
    149       3.5757      0.00000
    150       3.6359      0.00000
    151       3.6664      0.00000
    152       3.7017      0.00000
    153       3.7890      0.00000
    154       3.8008      0.00000
    155       3.8263      0.00000
    156       3.8957      0.00000
    157       3.9097      0.00000
    158       3.9830      0.00000
    159       4.1904      0.00000
    160       4.2369      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3559      1.00000
      2     -21.5364      1.00000
      3     -21.4064      1.00000
      4     -21.4055      1.00000
      5     -21.3743      1.00000
      6     -21.3652      1.00000
      7     -21.3579      1.00000
      8     -19.6459      1.00000
      9     -19.5717      1.00000
     10     -19.5646      1.00000
     11     -19.5581      1.00000
     12     -19.5397      1.00000
     13     -19.5368      1.00000
     14     -18.7278      1.00000
     15     -18.6793      1.00000
     16     -18.6717      1.00000
     17     -18.6581      1.00000
     18     -18.6426      1.00000
     19     -18.6408      1.00000
     20     -16.5858      1.00000
     21     -16.5262      1.00000
     22     -16.5236      1.00000
     23     -16.5104      1.00000
     24     -16.4865      1.00000
     25     -16.4847      1.00000
     26     -15.5581      1.00000
     27     -15.5259      1.00000
     28     -15.5250      1.00000
     29     -15.4995      1.00000
     30     -15.4942      1.00000
     31     -15.4884      1.00000
     32     -14.2061      1.00000
     33     -14.1800      1.00000
     34     -14.1668      1.00000
     35     -14.1647      1.00000
     36     -14.1594      1.00000
     37     -14.1481      1.00000
     38     -11.8842      1.00000
     39     -11.8076      1.00000
     40     -11.7920      1.00000
     41     -11.7916      1.00000
     42     -11.7884      1.00000
     43     -11.7828      1.00000
     44     -11.7043      1.00000
     45     -11.6976      1.00000
     46     -11.6724      1.00000
     47     -11.6574      1.00000
     48     -11.6571      1.00000
     49     -11.6501      1.00000
     50     -10.6748      1.00000
     51     -10.3287      1.00000
     52     -10.3210      1.00000
     53     -10.3053      1.00000
     54     -10.3036      1.00000
     55     -10.2905      1.00000
     56     -10.2773      1.00000
     57      -9.9286      1.00000
     58      -9.3726      1.00000
     59      -9.3590      1.00000
     60      -9.2997      1.00000
     61      -9.2915      1.00000
     62      -9.2847      1.00000
     63      -9.0920      1.00000
     64      -9.0541      1.00000
     65      -9.0489      1.00000
     66      -9.0266      1.00000
     67      -9.0064      1.00000
     68      -9.0014      1.00000
     69      -9.0002      1.00000
     70      -8.9948      1.00000
     71      -8.9915      1.00000
     72      -8.9724      1.00000
     73      -8.9645      1.00000
     74      -8.9534      1.00000
     75      -8.5012      1.00000
     76      -7.5156      1.00000
     77      -7.4103      1.00000
     78      -7.4100      1.00000
     79      -7.4011      1.00000
     80      -7.3836      1.00000
     81      -7.3635      1.00000
     82      -7.3412      1.00000
     83      -7.3080      1.00000
     84      -7.2689      1.00000
     85      -7.2062      1.00000
     86      -7.1797      1.00000
     87      -7.1793      1.00000
     88      -7.0750      1.00000
     89      -6.5095      1.00000
     90      -6.4612      1.00000
     91      -6.3549      1.00000
     92      -6.2930      1.00000
     93      -6.2873      1.00000
     94      -6.2860      1.00000
     95      -5.8967      1.00000
     96      -5.8846      1.00000
     97      -5.0507      1.00000
     98      -4.9381      1.00000
     99      -4.5398      1.00000
    100      -4.3401      1.00000
    101      -4.3177      1.00000
    102      -4.3167      1.00000
    103      -4.1152      1.00000
    104      -3.9131      1.00000
    105      -3.9012      1.00000
    106      -3.8351      1.00000
    107      -1.6812      0.00000
    108      -1.6676      0.00000
    109      -1.5367      0.00000
    110      -1.5350      0.00000
    111      -1.5218      0.00000
    112      -1.5088      0.00000
    113      -0.5842      0.00000
    114       0.1343      0.00000
    115       0.2059      0.00000
    116       0.3249      0.00000
    117       0.3269      0.00000
    118       0.3342      0.00000
    119       0.4966      0.00000
    120       0.5975      0.00000
    121       1.2597      0.00000
    122       1.2757      0.00000
    123       1.5300      0.00000
    124       1.7957      0.00000
    125       1.8048      0.00000
    126       1.8083      0.00000
    127       1.8131      0.00000
    128       1.9465      0.00000
    129       1.9815      0.00000
    130       2.0321      0.00000
    131       2.0455      0.00000
    132       2.0507      0.00000
    133       2.0553      0.00000
    134       2.0619      0.00000
    135       2.3093      0.00000
    136       2.3242      0.00000
    137       2.6150      0.00000
    138       2.6231      0.00000
    139       2.6520      0.00000
    140       2.7289      0.00000
    141       2.8626      0.00000
    142       3.0254      0.00000
    143       3.0545      0.00000
    144       3.0863      0.00000
    145       3.1013      0.00000
    146       3.1022      0.00000
    147       3.1029      0.00000
    148       3.2360      0.00000
    149       3.4518      0.00000
    150       3.5403      0.00000
    151       3.7851      0.00000
    152       3.9444      0.00000
    153       3.9470      0.00000
    154       3.9574      0.00000
    155       3.9621      0.00000
    156       3.9979      0.00000
    157       4.1840      0.00000
    158       4.2725      0.00000
    159       4.2889      0.00000
    160       4.2890      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3193      1.00000
      2     -21.7608      1.00000
      3     -21.5701      1.00000
      4     -21.5372      1.00000
      5     -21.2073      1.00000
      6     -21.1623      1.00000
      7     -20.9866      1.00000
      8     -20.1013      1.00000
      9     -20.0570      1.00000
     10     -19.5458      1.00000
     11     -19.5210      1.00000
     12     -19.3486      1.00000
     13     -19.0243      1.00000
     14     -18.9890      1.00000
     15     -18.9809      1.00000
     16     -18.9686      1.00000
     17     -18.2970      1.00000
     18     -18.2775      1.00000
     19     -17.9515      1.00000
     20     -17.0094      1.00000
     21     -16.9591      1.00000
     22     -16.8781      1.00000
     23     -16.8683      1.00000
     24     -16.4044      1.00000
     25     -16.3896      1.00000
     26     -15.5514      1.00000
     27     -15.5354      1.00000
     28     -15.1973      1.00000
     29     -15.1686      1.00000
     30     -15.1143      1.00000
     31     -15.0272      1.00000
     32     -15.0025      1.00000
     33     -14.6358      1.00000
     34     -14.6239      1.00000
     35     -13.6670      1.00000
     36     -13.6515      1.00000
     37     -13.1693      1.00000
     38     -12.5507      1.00000
     39     -12.5175      1.00000
     40     -12.3906      1.00000
     41     -12.3775      1.00000
     42     -12.0571      1.00000
     43     -12.0340      1.00000
     44     -11.6590      1.00000
     45     -11.6165      1.00000
     46     -11.1806      1.00000
     47     -11.1565      1.00000
     48     -10.9649      1.00000
     49     -10.9403      1.00000
     50     -10.8734      1.00000
     51     -10.8368      1.00000
     52     -10.6029      1.00000
     53     -10.0936      1.00000
     54     -10.0885      1.00000
     55     -10.0466      1.00000
     56      -9.9705      1.00000
     57      -9.6541      1.00000
     58      -9.6290      1.00000
     59      -9.5915      1.00000
     60      -9.5293      1.00000
     61      -9.5104      1.00000
     62      -9.4785      1.00000
     63      -9.2645      1.00000
     64      -9.2409      1.00000
     65      -9.2205      1.00000
     66      -9.1657      1.00000
     67      -9.0681      1.00000
     68      -9.0466      1.00000
     69      -9.0404      1.00000
     70      -8.8824      1.00000
     71      -8.8058      1.00000
     72      -8.5787      1.00000
     73      -8.5221      1.00000
     74      -8.4613      1.00000
     75      -8.0350      1.00000
     76      -7.8119      1.00000
     77      -7.8068      1.00000
     78      -7.7923      1.00000
     79      -7.6997      1.00000
     80      -7.6905      1.00000
     81      -7.3645      1.00000
     82      -7.2736      1.00000
     83      -7.2640      1.00000
     84      -7.2160      1.00000
     85      -7.1726      1.00000
     86      -7.0083      1.00000
     87      -6.9469      1.00000
     88      -6.7472      1.00000
     89      -6.6720      1.00000
     90      -6.5938      1.00000
     91      -6.5589      1.00000
     92      -6.0505      1.00000
     93      -6.0474      1.00000
     94      -6.0217      1.00000
     95      -5.9582      1.00000
     96      -5.7362      1.00000
     97      -5.1580      1.00000
     98      -4.9906      1.00000
     99      -4.7188      1.00000
    100      -4.6105      1.00000
    101      -4.4402      1.00000
    102      -4.3740      1.00000
    103      -4.1225      1.00000
    104      -3.8683      1.00000
    105      -3.8349      1.00000
    106      -3.7904      1.00000
    107      -1.7850      0.00000
    108      -1.7382      0.00000
    109      -1.3943      0.00000
    110      -1.3459      0.00000
    111      -1.2639      0.00000
    112      -1.2257      0.00000
    113      -0.7445      0.00000
    114      -0.3787      0.00000
    115      -0.2199      0.00000
    116      -0.0177      0.00000
    117       0.5918      0.00000
    118       0.7371      0.00000
    119       0.7642      0.00000
    120       1.0501      0.00000
    121       1.1417      0.00000
    122       1.2512      0.00000
    123       1.2732      0.00000
    124       1.4155      0.00000
    125       1.4808      0.00000
    126       1.5885      0.00000
    127       1.7586      0.00000
    128       1.8412      0.00000
    129       1.8969      0.00000
    130       1.9599      0.00000
    131       2.1084      0.00000
    132       2.2383      0.00000
    133       2.2506      0.00000
    134       2.2983      0.00000
    135       2.4894      0.00000
    136       2.6172      0.00000
    137       2.6387      0.00000
    138       2.7691      0.00000
    139       2.8014      0.00000
    140       2.8571      0.00000
    141       2.8679      0.00000
    142       2.8929      0.00000
    143       2.9603      0.00000
    144       3.0861      0.00000
    145       3.2827      0.00000
    146       3.3103      0.00000
    147       3.3753      0.00000
    148       3.4086      0.00000
    149       3.4680      0.00000
    150       3.5896      0.00000
    151       3.6385      0.00000
    152       3.6706      0.00000
    153       3.7082      0.00000
    154       3.9086      0.00000
    155       3.9448      0.00000
    156       3.9835      0.00000
    157       4.0886      0.00000
    158       4.2067      0.00000
    159       4.2452      0.00000
    160       4.2996      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2137      1.00000
      2     -22.0074      1.00000
      3     -21.6488      1.00000
      4     -21.6116      1.00000
      5     -20.9126      1.00000
      6     -20.8660      1.00000
      7     -20.5453      1.00000
      8     -20.5057      1.00000
      9     -20.4954      1.00000
     10     -19.9631      1.00000
     11     -19.4420      1.00000
     12     -19.4148      1.00000
     13     -19.2412      1.00000
     14     -19.2266      1.00000
     15     -18.3838      1.00000
     16     -18.3394      1.00000
     17     -17.8597      1.00000
     18     -17.8385      1.00000
     19     -17.6976      1.00000
     20     -17.6548      1.00000
     21     -17.3717      1.00000
     22     -17.3556      1.00000
     23     -17.2739      1.00000
     24     -16.4009      1.00000
     25     -16.3860      1.00000
     26     -15.8961      1.00000
     27     -15.3522      1.00000
     28     -15.3368      1.00000
     29     -15.0343      1.00000
     30     -15.0204      1.00000
     31     -14.7993      1.00000
     32     -14.7744      1.00000
     33     -14.2215      1.00000
     34     -14.1896      1.00000
     35     -13.3707      1.00000
     36     -13.3370      1.00000
     37     -13.1196      1.00000
     38     -13.1020      1.00000
     39     -12.9159      1.00000
     40     -12.9024      1.00000
     41     -12.5565      1.00000
     42     -12.5384      1.00000
     43     -12.1329      1.00000
     44     -11.5219      1.00000
     45     -11.4734      1.00000
     46     -11.2535      1.00000
     47     -11.2194      1.00000
     48     -11.0794      1.00000
     49     -10.6603      1.00000
     50     -10.5884      1.00000
     51     -10.5238      1.00000
     52     -10.2575      1.00000
     53     -10.2486      1.00000
     54     -10.1228      1.00000
     55     -10.0484      1.00000
     56     -10.0408      1.00000
     57      -9.7701      1.00000
     58      -9.7052      1.00000
     59      -9.6796      1.00000
     60      -9.6300      1.00000
     61      -9.6260      1.00000
     62      -9.5874      1.00000
     63      -9.2944      1.00000
     64      -9.2851      1.00000
     65      -9.2530      1.00000
     66      -9.0892      1.00000
     67      -8.8969      1.00000
     68      -8.8828      1.00000
     69      -8.7245      1.00000
     70      -8.5896      1.00000
     71      -8.5138      1.00000
     72      -8.3306      1.00000
     73      -8.3024      1.00000
     74      -8.2644      1.00000
     75      -8.2323      1.00000
     76      -8.1947      1.00000
     77      -8.1856      1.00000
     78      -8.1704      1.00000
     79      -8.1024      1.00000
     80      -7.6883      1.00000
     81      -7.3574      1.00000
     82      -7.3102      1.00000
     83      -7.2643      1.00000
     84      -7.1876      1.00000
     85      -7.1253      1.00000
     86      -7.0767      1.00000
     87      -6.9068      1.00000
     88      -6.8822      1.00000
     89      -6.5491      1.00000
     90      -6.4924      1.00000
     91      -6.2096      1.00000
     92      -6.0702      1.00000
     93      -5.9421      1.00000
     94      -5.7158      1.00000
     95      -5.6329      1.00000
     96      -5.4525      1.00000
     97      -5.3052      1.00000
     98      -5.2338      1.00000
     99      -5.1518      1.00000
    100      -5.1513      1.00000
    101      -4.5237      1.00000
    102      -4.4710      1.00000
    103      -4.1441      1.00000
    104      -3.8380      1.00000
    105      -3.7572      1.00000
    106      -3.6793      1.00000
    107      -1.8708      0.00000
    108      -1.8236      0.00000
    109      -1.2768      0.00000
    110      -1.0359      0.00000
    111      -1.0115      0.00000
    112      -0.7119      0.00000
    113      -0.6397      0.00000
    114      -0.5880      0.00000
    115      -0.5458      0.00000
    116      -0.2012      0.00000
    117       0.2528      0.00000
    118       0.2788      0.00000
    119       0.7622      0.00000
    120       0.9468      0.00000
    121       1.1329      0.00000
    122       1.2270      0.00000
    123       1.3213      0.00000
    124       1.4138      0.00000
    125       1.6024      0.00000
    126       1.6342      0.00000
    127       1.7031      0.00000
    128       1.8253      0.00000
    129       1.9223      0.00000
    130       2.0145      0.00000
    131       2.1086      0.00000
    132       2.3308      0.00000
    133       2.3966      0.00000
    134       2.4345      0.00000
    135       2.5440      0.00000
    136       2.6354      0.00000
    137       2.7564      0.00000
    138       2.8237      0.00000
    139       2.8343      0.00000
    140       2.8882      0.00000
    141       3.0435      0.00000
    142       3.0916      0.00000
    143       3.1893      0.00000
    144       3.2420      0.00000
    145       3.3901      0.00000
    146       3.4241      0.00000
    147       3.4836      0.00000
    148       3.5759      0.00000
    149       3.6033      0.00000
    150       3.6283      0.00000
    151       3.6528      0.00000
    152       3.7439      0.00000
    153       3.7736      0.00000
    154       3.7901      0.00000
    155       3.8082      0.00000
    156       3.8993      0.00000
    157       3.9792      0.00000
    158       4.0133      0.00000
    159       4.1785      0.00000
    160       4.2407      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2475      1.00000
      2     -21.8932      1.00000
      3     -21.8225      1.00000
      4     -21.3112      1.00000
      5     -21.2809      1.00000
      6     -20.7700      1.00000
      7     -20.7040      1.00000
      8     -20.5556      1.00000
      9     -20.0082      1.00000
     10     -20.0009      1.00000
     11     -19.6474      1.00000
     12     -19.6230      1.00000
     13     -18.9289      1.00000
     14     -18.9205      1.00000
     15     -18.5701      1.00000
     16     -18.5561      1.00000
     17     -18.3933      1.00000
     18     -17.6145      1.00000
     19     -17.5581      1.00000
     20     -17.5530      1.00000
     21     -17.5115      1.00000
     22     -17.0554      1.00000
     23     -17.0375      1.00000
     24     -16.8910      1.00000
     25     -15.9292      1.00000
     26     -15.8668      1.00000
     27     -15.5160      1.00000
     28     -15.5149      1.00000
     29     -15.2279      1.00000
     30     -14.7941      1.00000
     31     -14.7666      1.00000
     32     -14.5147      1.00000
     33     -14.4706      1.00000
     34     -14.1013      1.00000
     35     -14.0902      1.00000
     36     -13.0759      1.00000
     37     -13.0324      1.00000
     38     -12.9664      1.00000
     39     -12.9542      1.00000
     40     -12.6448      1.00000
     41     -12.6383      1.00000
     42     -12.2736      1.00000
     43     -12.2422      1.00000
     44     -11.5875      1.00000
     45     -11.5602      1.00000
     46     -11.5058      1.00000
     47     -10.9046      1.00000
     48     -10.8505      1.00000
     49     -10.6218      1.00000
     50     -10.5588      1.00000
     51     -10.4849      1.00000
     52     -10.4332      1.00000
     53     -10.4233      1.00000
     54     -10.3706      1.00000
     55     -10.2933      1.00000
     56     -10.0652      1.00000
     57      -9.8327      1.00000
     58      -9.5479      1.00000
     59      -9.4878      1.00000
     60      -9.4719      1.00000
     61      -9.3458      1.00000
     62      -9.3301      1.00000
     63      -9.3098      1.00000
     64      -9.3079      1.00000
     65      -9.2140      1.00000
     66      -9.1118      1.00000
     67      -9.0803      1.00000
     68      -9.0490      1.00000
     69      -8.8486      1.00000
     70      -8.7925      1.00000
     71      -8.7735      1.00000
     72      -8.5266      1.00000
     73      -8.4755      1.00000
     74      -8.2229      1.00000
     75      -8.1098      1.00000
     76      -8.0989      1.00000
     77      -7.8077      1.00000
     78      -7.7839      1.00000
     79      -7.7814      1.00000
     80      -7.6733      1.00000
     81      -7.6312      1.00000
     82      -7.6301      1.00000
     83      -7.4007      1.00000
     84      -7.3244      1.00000
     85      -7.2003      1.00000
     86      -6.8392      1.00000
     87      -6.8289      1.00000
     88      -6.6626      1.00000
     89      -6.5382      1.00000
     90      -6.3445      1.00000
     91      -6.3074      1.00000
     92      -6.1838      1.00000
     93      -6.1473      1.00000
     94      -5.9772      1.00000
     95      -5.5724      1.00000
     96      -5.4258      1.00000
     97      -5.2584      1.00000
     98      -5.2520      1.00000
     99      -5.1488      1.00000
    100      -4.6956      1.00000
    101      -4.6649      1.00000
    102      -4.3492      1.00000
    103      -4.3166      1.00000
    104      -3.9652      1.00000
    105      -3.8315      1.00000
    106      -3.3891      1.00000
    107      -2.2199      0.00000
    108      -1.3766      0.00000
    109      -1.2862      0.00000
    110      -1.1729      0.00000
    111      -1.0774      0.00000
    112      -0.8935      0.00000
    113      -0.7677      0.00000
    114      -0.7570      0.00000
    115      -0.2169      0.00000
    116       0.1138      0.00000
    117       0.2638      0.00000
    118       0.3461      0.00000
    119       0.7359      0.00000
    120       0.9039      0.00000
    121       0.9723      0.00000
    122       1.0957      0.00000
    123       1.2105      0.00000
    124       1.5307      0.00000
    125       1.5655      0.00000
    126       1.7178      0.00000
    127       1.8391      0.00000
    128       1.8627      0.00000
    129       1.9707      0.00000
    130       2.0017      0.00000
    131       2.1606      0.00000
    132       2.2705      0.00000
    133       2.4580      0.00000
    134       2.4703      0.00000
    135       2.5072      0.00000
    136       2.6665      0.00000
    137       2.6873      0.00000
    138       2.7343      0.00000
    139       2.7454      0.00000
    140       2.8953      0.00000
    141       3.0247      0.00000
    142       3.0844      0.00000
    143       3.1946      0.00000
    144       3.2564      0.00000
    145       3.2607      0.00000
    146       3.2717      0.00000
    147       3.3623      0.00000
    148       3.4849      0.00000
    149       3.5315      0.00000
    150       3.6988      0.00000
    151       3.7613      0.00000
    152       3.7710      0.00000
    153       3.8371      0.00000
    154       3.8823      0.00000
    155       3.9454      0.00000
    156       3.9850      0.00000
    157       4.0239      0.00000
    158       4.0519      0.00000
    159       4.0578      0.00000
    160       4.0937      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1415      1.00000
      2     -22.0463      1.00000
      3     -21.8861      1.00000
      4     -21.3342      1.00000
      5     -20.9813      1.00000
      6     -20.9427      1.00000
      7     -20.4330      1.00000
      8     -20.3902      1.00000
      9     -20.2261      1.00000
     10     -20.2046      1.00000
     11     -19.8886      1.00000
     12     -19.8210      1.00000
     13     -18.8144      1.00000
     14     -18.7433      1.00000
     15     -18.2896      1.00000
     16     -18.2360      1.00000
     17     -18.0855      1.00000
     18     -18.0653      1.00000
     19     -17.7611      1.00000
     20     -17.7187      1.00000
     21     -17.1884      1.00000
     22     -17.1696      1.00000
     23     -17.0992      1.00000
     24     -17.0634      1.00000
     25     -16.0375      1.00000
     26     -15.8225      1.00000
     27     -15.7992      1.00000
     28     -15.7643      1.00000
     29     -15.1734      1.00000
     30     -14.4908      1.00000
     31     -14.4580      1.00000
     32     -14.2175      1.00000
     33     -13.8947      1.00000
     34     -13.8899      1.00000
     35     -13.7556      1.00000
     36     -13.7356      1.00000
     37     -13.5514      1.00000
     38     -13.5027      1.00000
     39     -13.2996      1.00000
     40     -12.5640      1.00000
     41     -12.1251      1.00000
     42     -12.0657      1.00000
     43     -12.0096      1.00000
     44     -11.9512      1.00000
     45     -11.6107      1.00000
     46     -11.5878      1.00000
     47     -11.0852      1.00000
     48     -11.0516      1.00000
     49     -10.7533      1.00000
     50     -10.6636      1.00000
     51     -10.5272      1.00000
     52     -10.1486      1.00000
     53     -10.1380      1.00000
     54     -10.0956      1.00000
     55      -9.9528      1.00000
     56      -9.9475      1.00000
     57      -9.9167      1.00000
     58      -9.7375      1.00000
     59      -9.7309      1.00000
     60      -9.7005      1.00000
     61      -9.6906      1.00000
     62      -9.4298      1.00000
     63      -9.3627      1.00000
     64      -9.0870      1.00000
     65      -9.0064      1.00000
     66      -8.9743      1.00000
     67      -8.8876      1.00000
     68      -8.8110      1.00000
     69      -8.6582      1.00000
     70      -8.6348      1.00000
     71      -8.5790      1.00000
     72      -8.4779      1.00000
     73      -8.4673      1.00000
     74      -8.3979      1.00000
     75      -8.3939      1.00000
     76      -8.1835      1.00000
     77      -8.1144      1.00000
     78      -7.9768      1.00000
     79      -7.9155      1.00000
     80      -7.8467      1.00000
     81      -7.6180      1.00000
     82      -7.5297      1.00000
     83      -7.4689      1.00000
     84      -7.2574      1.00000
     85      -6.9347      1.00000
     86      -6.8575      1.00000
     87      -6.8109      1.00000
     88      -6.5752      1.00000
     89      -6.4668      1.00000
     90      -6.4201      1.00000
     91      -6.3563      1.00000
     92      -6.0526      1.00000
     93      -5.8780      1.00000
     94      -5.7529      1.00000
     95      -5.7214      1.00000
     96      -5.4774      1.00000
     97      -5.3463      1.00000
     98      -5.1800      1.00000
     99      -5.1558      1.00000
    100      -5.1544      1.00000
    101      -4.7077      1.00000
    102      -4.4413      1.00000
    103      -4.2565      1.00000
    104      -3.9969      1.00000
    105      -3.8304      1.00000
    106      -3.1556      1.00000
    107      -2.4627      0.00000
    108      -1.3785      0.00000
    109      -1.2411      0.00000
    110      -1.1458      0.00000
    111      -1.1142      0.00000
    112      -0.5630      0.00000
    113      -0.4344      0.00000
    114      -0.4294      0.00000
    115      -0.3099      0.00000
    116      -0.1897      0.00000
    117       0.0621      0.00000
    118       0.1176      0.00000
    119       0.5405      0.00000
    120       0.6844      0.00000
    121       0.8728      0.00000
    122       0.9699      0.00000
    123       1.1129      0.00000
    124       1.4971      0.00000
    125       1.6638      0.00000
    126       1.8060      0.00000
    127       1.8788      0.00000
    128       2.0952      0.00000
    129       2.1402      0.00000
    130       2.1984      0.00000
    131       2.2158      0.00000
    132       2.3404      0.00000
    133       2.3633      0.00000
    134       2.4892      0.00000
    135       2.5818      0.00000
    136       2.6707      0.00000
    137       2.8803      0.00000
    138       2.9381      0.00000
    139       2.9675      0.00000
    140       2.9939      0.00000
    141       3.0428      0.00000
    142       3.1521      0.00000
    143       3.1822      0.00000
    144       3.2476      0.00000
    145       3.2921      0.00000
    146       3.3337      0.00000
    147       3.3504      0.00000
    148       3.3810      0.00000
    149       3.4162      0.00000
    150       3.4980      0.00000
    151       3.5567      0.00000
    152       3.6357      0.00000
    153       3.6965      0.00000
    154       3.7113      0.00000
    155       3.7285      0.00000
    156       3.9218      0.00000
    157       3.9376      0.00000
    158       4.0611      0.00000
    159       4.0922      0.00000
    160       4.2049      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2473      1.00000
      2     -21.8947      1.00000
      3     -21.8210      1.00000
      4     -21.3158      1.00000
      5     -21.2768      1.00000
      6     -20.7710      1.00000
      7     -20.7020      1.00000
      8     -20.5540      1.00000
      9     -20.0224      1.00000
     10     -19.9899      1.00000
     11     -19.6499      1.00000
     12     -19.6187      1.00000
     13     -18.9430      1.00000
     14     -18.9081      1.00000
     15     -18.5836      1.00000
     16     -18.5461      1.00000
     17     -18.3916      1.00000
     18     -17.6016      1.00000
     19     -17.5702      1.00000
     20     -17.5407      1.00000
     21     -17.5080      1.00000
     22     -17.0740      1.00000
     23     -17.0270      1.00000
     24     -16.8996      1.00000
     25     -15.9450      1.00000
     26     -15.8507      1.00000
     27     -15.5329      1.00000
     28     -15.5061      1.00000
     29     -15.2089      1.00000
     30     -14.8135      1.00000
     31     -14.7609      1.00000
     32     -14.5091      1.00000
     33     -14.4674      1.00000
     34     -14.0958      1.00000
     35     -14.0927      1.00000
     36     -13.1044      1.00000
     37     -13.0292      1.00000
     38     -12.9563      1.00000
     39     -12.9491      1.00000
     40     -12.6555      1.00000
     41     -12.6269      1.00000
     42     -12.2737      1.00000
     43     -12.2467      1.00000
     44     -11.5728      1.00000
     45     -11.5532      1.00000
     46     -11.5002      1.00000
     47     -10.8779      1.00000
     48     -10.8687      1.00000
     49     -10.6833      1.00000
     50     -10.5247      1.00000
     51     -10.5203      1.00000
     52     -10.4331      1.00000
     53     -10.4153      1.00000
     54     -10.3697      1.00000
     55     -10.2874      1.00000
     56     -10.0608      1.00000
     57      -9.8315      1.00000
     58      -9.5589      1.00000
     59      -9.4842      1.00000
     60      -9.4449      1.00000
     61      -9.3554      1.00000
     62      -9.3386      1.00000
     63      -9.3073      1.00000
     64      -9.3020      1.00000
     65      -9.2056      1.00000
     66      -9.0991      1.00000
     67      -9.0679      1.00000
     68      -9.0488      1.00000
     69      -8.8518      1.00000
     70      -8.7964      1.00000
     71      -8.7777      1.00000
     72      -8.5266      1.00000
     73      -8.4973      1.00000
     74      -8.2280      1.00000
     75      -8.1293      1.00000
     76      -8.0925      1.00000
     77      -7.8066      1.00000
     78      -7.7671      1.00000
     79      -7.7388      1.00000
     80      -7.7031      1.00000
     81      -7.6351      1.00000
     82      -7.6245      1.00000
     83      -7.3879      1.00000
     84      -7.3442      1.00000
     85      -7.2198      1.00000
     86      -6.8434      1.00000
     87      -6.8201      1.00000
     88      -6.6402      1.00000
     89      -6.5292      1.00000
     90      -6.3409      1.00000
     91      -6.2728      1.00000
     92      -6.1952      1.00000
     93      -6.1315      1.00000
     94      -6.0213      1.00000
     95      -5.6382      1.00000
     96      -5.5086      1.00000
     97      -5.2975      1.00000
     98      -5.1558      1.00000
     99      -5.0403      1.00000
    100      -4.7269      1.00000
    101      -4.6854      1.00000
    102      -4.3679      1.00000
    103      -4.1860      1.00000
    104      -4.0100      1.00000
    105      -3.8299      1.00000
    106      -3.4836      1.00000
    107      -2.1640      0.00000
    108      -1.3830      0.00000
    109      -1.2354      0.00000
    110      -1.1844      0.00000
    111      -1.0138      0.00000
    112      -0.9556      0.00000
    113      -0.7971      0.00000
    114      -0.7518      0.00000
    115      -0.3645      0.00000
    116       0.2454      0.00000
    117       0.2769      0.00000
    118       0.3649      0.00000
    119       0.7019      0.00000
    120       0.8693      0.00000
    121       0.9659      0.00000
    122       1.1282      0.00000
    123       1.2374      0.00000
    124       1.4572      0.00000
    125       1.5581      0.00000
    126       1.7836      0.00000
    127       1.8517      0.00000
    128       1.8842      0.00000
    129       1.9887      0.00000
    130       2.0333      0.00000
    131       2.1988      0.00000
    132       2.2143      0.00000
    133       2.4047      0.00000
    134       2.4544      0.00000
    135       2.5547      0.00000
    136       2.6588      0.00000
    137       2.6853      0.00000
    138       2.7303      0.00000
    139       2.7696      0.00000
    140       2.8573      0.00000
    141       2.9680      0.00000
    142       3.0837      0.00000
    143       3.1905      0.00000
    144       3.2431      0.00000
    145       3.2595      0.00000
    146       3.2976      0.00000
    147       3.3345      0.00000
    148       3.4847      0.00000
    149       3.5119      0.00000
    150       3.7160      0.00000
    151       3.7261      0.00000
    152       3.7711      0.00000
    153       3.8638      0.00000
    154       3.8767      0.00000
    155       3.9007      0.00000
    156       3.9993      0.00000
    157       4.0004      0.00000
    158       4.0537      0.00000
    159       4.0665      0.00000
    160       4.0958      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3193      1.00000
      2     -21.7611      1.00000
      3     -21.5674      1.00000
      4     -21.5401      1.00000
      5     -21.2046      1.00000
      6     -21.1656      1.00000
      7     -20.9853      1.00000
      8     -20.0983      1.00000
      9     -20.0593      1.00000
     10     -19.5458      1.00000
     11     -19.5257      1.00000
     12     -19.3444      1.00000
     13     -19.0277      1.00000
     14     -18.9876      1.00000
     15     -18.9771      1.00000
     16     -18.9714      1.00000
     17     -18.2955      1.00000
     18     -18.2820      1.00000
     19     -17.9459      1.00000
     20     -17.0003      1.00000
     21     -16.9592      1.00000
     22     -16.8822      1.00000
     23     -16.8693      1.00000
     24     -16.4157      1.00000
     25     -16.3928      1.00000
     26     -15.5405      1.00000
     27     -15.5371      1.00000
     28     -15.1726      1.00000
     29     -15.1710      1.00000
     30     -15.1307      1.00000
     31     -15.0359      1.00000
     32     -15.0006      1.00000
     33     -14.6331      1.00000
     34     -14.6260      1.00000
     35     -13.6626      1.00000
     36     -13.6525      1.00000
     37     -13.1707      1.00000
     38     -12.5729      1.00000
     39     -12.5129      1.00000
     40     -12.3853      1.00000
     41     -12.3847      1.00000
     42     -12.0352      1.00000
     43     -12.0309      1.00000
     44     -11.6548      1.00000
     45     -11.6142      1.00000
     46     -11.2064      1.00000
     47     -11.1569      1.00000
     48     -10.9551      1.00000
     49     -10.9419      1.00000
     50     -10.8603      1.00000
     51     -10.8277      1.00000
     52     -10.6258      1.00000
     53     -10.1470      1.00000
     54     -10.0839      1.00000
     55     -10.0248      1.00000
     56      -9.9462      1.00000
     57      -9.6308      1.00000
     58      -9.6293      1.00000
     59      -9.6029      1.00000
     60      -9.5407      1.00000
     61      -9.5026      1.00000
     62      -9.4784      1.00000
     63      -9.2729      1.00000
     64      -9.2350      1.00000
     65      -9.2067      1.00000
     66      -9.1793      1.00000
     67      -9.0619      1.00000
     68      -9.0467      1.00000
     69      -9.0429      1.00000
     70      -8.8766      1.00000
     71      -8.8084      1.00000
     72      -8.5368      1.00000
     73      -8.5329      1.00000
     74      -8.5020      1.00000
     75      -8.0309      1.00000
     76      -7.8323      1.00000
     77      -7.8006      1.00000
     78      -7.7735      1.00000
     79      -7.7027      1.00000
     80      -7.6842      1.00000
     81      -7.4144      1.00000
     82      -7.2871      1.00000
     83      -7.2511      1.00000
     84      -7.2031      1.00000
     85      -7.0822      1.00000
     86      -7.0751      1.00000
     87      -6.9378      1.00000
     88      -6.7116      1.00000
     89      -6.6743      1.00000
     90      -6.6287      1.00000
     91      -6.5569      1.00000
     92      -6.0716      1.00000
     93      -6.0313      1.00000
     94      -6.0013      1.00000
     95      -5.9368      1.00000
     96      -5.8008      1.00000
     97      -5.1828      1.00000
     98      -4.8961      1.00000
     99      -4.7938      1.00000
    100      -4.6106      1.00000
    101      -4.5123      1.00000
    102      -4.1405      1.00000
    103      -4.0919      1.00000
    104      -3.9306      1.00000
    105      -3.9167      1.00000
    106      -3.8289      1.00000
    107      -1.7515      0.00000
    108      -1.6955      0.00000
    109      -1.4101      0.00000
    110      -1.3707      0.00000
    111      -1.2641      0.00000
    112      -1.2358      0.00000
    113      -0.6228      0.00000
    114      -0.5981      0.00000
    115      -0.1901      0.00000
    116       0.0432      0.00000
    117       0.5854      0.00000
    118       0.7409      0.00000
    119       0.8502      0.00000
    120       0.9290      0.00000
    121       1.1677      0.00000
    122       1.2119      0.00000
    123       1.2479      0.00000
    124       1.4212      0.00000
    125       1.6003      0.00000
    126       1.6415      0.00000
    127       1.7063      0.00000
    128       1.8068      0.00000
    129       1.9230      0.00000
    130       1.9403      0.00000
    131       2.1516      0.00000
    132       2.1746      0.00000
    133       2.2624      0.00000
    134       2.3031      0.00000
    135       2.5445      0.00000
    136       2.5620      0.00000
    137       2.6371      0.00000
    138       2.7623      0.00000
    139       2.8116      0.00000
    140       2.8471      0.00000
    141       2.8939      0.00000
    142       2.9452      0.00000
    143       3.0172      0.00000
    144       3.0298      0.00000
    145       3.0908      0.00000
    146       3.3174      0.00000
    147       3.3710      0.00000
    148       3.4182      0.00000
    149       3.4804      0.00000
    150       3.6050      0.00000
    151       3.6573      0.00000
    152       3.6666      0.00000
    153       3.6805      0.00000
    154       3.8953      0.00000
    155       3.9817      0.00000
    156       4.0297      0.00000
    157       4.0757      0.00000
    158       4.2377      0.00000
    159       4.2575      0.00000
    160       4.2721      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1406      1.00000
      2     -22.0477      1.00000
      3     -21.8856      1.00000
      4     -21.3351      1.00000
      5     -20.9763      1.00000
      6     -20.9468      1.00000
      7     -20.4277      1.00000
      8     -20.3956      1.00000
      9     -20.2156      1.00000
     10     -20.2138      1.00000
     11     -19.8874      1.00000
     12     -19.8236      1.00000
     13     -18.8174      1.00000
     14     -18.7465      1.00000
     15     -18.2655      1.00000
     16     -18.2513      1.00000
     17     -18.0798      1.00000
     18     -18.0733      1.00000
     19     -17.7457      1.00000
     20     -17.7297      1.00000
     21     -17.1946      1.00000
     22     -17.1712      1.00000
     23     -17.0885      1.00000
     24     -17.0676      1.00000
     25     -16.0536      1.00000
     26     -15.8081      1.00000
     27     -15.7986      1.00000
     28     -15.7773      1.00000
     29     -15.1589      1.00000
     30     -14.4854      1.00000
     31     -14.4639      1.00000
     32     -14.2040      1.00000
     33     -13.9162      1.00000
     34     -13.8864      1.00000
     35     -13.7587      1.00000
     36     -13.7385      1.00000
     37     -13.5361      1.00000
     38     -13.5100      1.00000
     39     -13.3010      1.00000
     40     -12.5763      1.00000
     41     -12.1011      1.00000
     42     -12.0768      1.00000
     43     -11.9983      1.00000
     44     -11.9506      1.00000
     45     -11.6056      1.00000
     46     -11.5977      1.00000
     47     -11.0844      1.00000
     48     -11.0610      1.00000
     49     -10.7321      1.00000
     50     -10.6643      1.00000
     51     -10.5608      1.00000
     52     -10.1396      1.00000
     53     -10.1348      1.00000
     54     -10.1003      1.00000
     55      -9.9661      1.00000
     56      -9.9251      1.00000
     57      -9.9209      1.00000
     58      -9.7509      1.00000
     59      -9.7288      1.00000
     60      -9.6973      1.00000
     61      -9.6946      1.00000
     62      -9.4013      1.00000
     63      -9.3890      1.00000
     64      -9.0691      1.00000
     65      -8.9823      1.00000
     66      -8.9811      1.00000
     67      -8.9061      1.00000
     68      -8.8117      1.00000
     69      -8.6495      1.00000
     70      -8.6336      1.00000
     71      -8.5489      1.00000
     72      -8.5020      1.00000
     73      -8.4824      1.00000
     74      -8.3942      1.00000
     75      -8.3821      1.00000
     76      -8.2097      1.00000
     77      -8.1022      1.00000
     78      -8.0070      1.00000
     79      -7.9018      1.00000
     80      -7.8433      1.00000
     81      -7.6217      1.00000
     82      -7.5323      1.00000
     83      -7.4572      1.00000
     84      -7.2541      1.00000
     85      -6.9429      1.00000
     86      -6.8688      1.00000
     87      -6.8094      1.00000
     88      -6.4778      1.00000
     89      -6.4688      1.00000
     90      -6.4090      1.00000
     91      -6.3597      1.00000
     92      -6.1926      1.00000
     93      -5.8579      1.00000
     94      -5.7374      1.00000
     95      -5.7110      1.00000
     96      -5.5245      1.00000
     97      -5.3291      1.00000
     98      -5.1721      1.00000
     99      -5.1673      1.00000
    100      -5.1337      1.00000
    101      -4.6962      1.00000
    102      -4.3483      1.00000
    103      -4.2816      1.00000
    104      -4.0304      1.00000
    105      -3.8313      1.00000
    106      -3.2327      1.00000
    107      -2.4047      0.00000
    108      -1.3449      0.00000
    109      -1.2435      0.00000
    110      -1.1530      0.00000
    111      -1.1082      0.00000
    112      -0.5820      0.00000
    113      -0.5213      0.00000
    114      -0.4336      0.00000
    115      -0.2748      0.00000
    116      -0.0697      0.00000
    117      -0.0103      0.00000
    118       0.0600      0.00000
    119       0.5833      0.00000
    120       0.7110      0.00000
    121       0.8111      0.00000
    122       0.9461      0.00000
    123       1.1849      0.00000
    124       1.5121      0.00000
    125       1.6216      0.00000
    126       1.8625      0.00000
    127       2.0062      0.00000
    128       2.0524      0.00000
    129       2.1157      0.00000
    130       2.1543      0.00000
    131       2.2639      0.00000
    132       2.2861      0.00000
    133       2.3488      0.00000
    134       2.4629      0.00000
    135       2.6118      0.00000
    136       2.7027      0.00000
    137       2.8214      0.00000
    138       2.9151      0.00000
    139       2.9431      0.00000
    140       3.0168      0.00000
    141       3.0497      0.00000
    142       3.1585      0.00000
    143       3.1640      0.00000
    144       3.2261      0.00000
    145       3.3000      0.00000
    146       3.3126      0.00000
    147       3.3543      0.00000
    148       3.3743      0.00000
    149       3.4183      0.00000
    150       3.4533      0.00000
    151       3.5659      0.00000
    152       3.6153      0.00000
    153       3.7031      0.00000
    154       3.7279      0.00000
    155       3.8498      0.00000
    156       3.9068      0.00000
    157       3.9332      0.00000
    158       3.9626      0.00000
    159       4.1499      0.00000
    160       4.1844      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2133      1.00000
      2     -22.0080      1.00000
      3     -21.6461      1.00000
      4     -21.6147      1.00000
      5     -20.9097      1.00000
      6     -20.8688      1.00000
      7     -20.5390      1.00000
      8     -20.5063      1.00000
      9     -20.4995      1.00000
     10     -19.9621      1.00000
     11     -19.4406      1.00000
     12     -19.4187      1.00000
     13     -19.2398      1.00000
     14     -19.2326      1.00000
     15     -18.3760      1.00000
     16     -18.3408      1.00000
     17     -17.8586      1.00000
     18     -17.8425      1.00000
     19     -17.6912      1.00000
     20     -17.6551      1.00000
     21     -17.3721      1.00000
     22     -17.3578      1.00000
     23     -17.2671      1.00000
     24     -16.4133      1.00000
     25     -16.3896      1.00000
     26     -15.9045      1.00000
     27     -15.3434      1.00000
     28     -15.3384      1.00000
     29     -15.0310      1.00000
     30     -15.0211      1.00000
     31     -14.7763      1.00000
     32     -14.7740      1.00000
     33     -14.2374      1.00000
     34     -14.1867      1.00000
     35     -13.3875      1.00000
     36     -13.3331      1.00000
     37     -13.1111      1.00000
     38     -13.1028      1.00000
     39     -12.9177      1.00000
     40     -12.9119      1.00000
     41     -12.5454      1.00000
     42     -12.5374      1.00000
     43     -12.1334      1.00000
     44     -11.5138      1.00000
     45     -11.4690      1.00000
     46     -11.2446      1.00000
     47     -11.2128      1.00000
     48     -11.0865      1.00000
     49     -10.7072      1.00000
     50     -10.5955      1.00000
     51     -10.5094      1.00000
     52     -10.2513      1.00000
     53     -10.2471      1.00000
     54     -10.1220      1.00000
     55     -10.0542      1.00000
     56     -10.0384      1.00000
     57      -9.7852      1.00000
     58      -9.6869      1.00000
     59      -9.6732      1.00000
     60      -9.6374      1.00000
     61      -9.6276      1.00000
     62      -9.5853      1.00000
     63      -9.2956      1.00000
     64      -9.2833      1.00000
     65      -9.2529      1.00000
     66      -9.0662      1.00000
     67      -8.8948      1.00000
     68      -8.8835      1.00000
     69      -8.7182      1.00000
     70      -8.5823      1.00000
     71      -8.5259      1.00000
     72      -8.3509      1.00000
     73      -8.3049      1.00000
     74      -8.2434      1.00000
     75      -8.2380      1.00000
     76      -8.1945      1.00000
     77      -8.1810      1.00000
     78      -8.1693      1.00000
     79      -8.1090      1.00000
     80      -7.6899      1.00000
     81      -7.4195      1.00000
     82      -7.3434      1.00000
     83      -7.2578      1.00000
     84      -7.1686      1.00000
     85      -7.1102      1.00000
     86      -7.0040      1.00000
     87      -6.9038      1.00000
     88      -6.8473      1.00000
     89      -6.5418      1.00000
     90      -6.4984      1.00000
     91      -6.2146      1.00000
     92      -6.2015      1.00000
     93      -5.8944      1.00000
     94      -5.6740      1.00000
     95      -5.6087      1.00000
     96      -5.5802      1.00000
     97      -5.2532      1.00000
     98      -5.2311      1.00000
     99      -5.1648      1.00000
    100      -5.1343      1.00000
    101      -4.6004      1.00000
    102      -4.2514      1.00000
    103      -4.0469      1.00000
    104      -3.8842      1.00000
    105      -3.8432      1.00000
    106      -3.8007      1.00000
    107      -1.8076      0.00000
    108      -1.7800      0.00000
    109      -1.2248      0.00000
    110      -1.1753      0.00000
    111      -0.9736      0.00000
    112      -0.7340      0.00000
    113      -0.6499      0.00000
    114      -0.5935      0.00000
    115      -0.5495      0.00000
    116      -0.1510      0.00000
    117       0.1766      0.00000
    118       0.2881      0.00000
    119       0.7068      0.00000
    120       0.9509      0.00000
    121       1.1689      0.00000
    122       1.2783      0.00000
    123       1.3479      0.00000
    124       1.5139      0.00000
    125       1.6092      0.00000
    126       1.6287      0.00000
    127       1.6927      0.00000
    128       1.7752      0.00000
    129       1.8643      0.00000
    130       2.0802      0.00000
    131       2.1680      0.00000
    132       2.3192      0.00000
    133       2.3955      0.00000
    134       2.4244      0.00000
    135       2.5583      0.00000
    136       2.6260      0.00000
    137       2.6875      0.00000
    138       2.7475      0.00000
    139       2.8186      0.00000
    140       2.9093      0.00000
    141       3.0538      0.00000
    142       3.0628      0.00000
    143       3.1852      0.00000
    144       3.2838      0.00000
    145       3.3807      0.00000
    146       3.4164      0.00000
    147       3.4621      0.00000
    148       3.5466      0.00000
    149       3.5757      0.00000
    150       3.6359      0.00000
    151       3.6664      0.00000
    152       3.7017      0.00000
    153       3.7890      0.00000
    154       3.8008      0.00000
    155       3.8263      0.00000
    156       3.8957      0.00000
    157       3.9097      0.00000
    158       3.9830      0.00000
    159       4.1904      0.00000
    160       4.2369      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0399   -7.2556    3.9847   -1.1327   -0.1857   17.3763    0.4906   -0.8143    0.7718   -0.4772
x    -3.1250   -0.0255   -0.0212   -0.0254    0.0910   -3.0537    0.0298   -0.0244    0.0084    0.0018
x    -0.0954   -0.0029    0.0035   -0.0031    0.0022   -0.0242    0.0000    0.0000   -0.0001    0.0001
x    -0.0035   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0399    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0034    0.0000    0.0004    0.0007    0.0028   -0.0985   -0.0317    0.0620    0.0183
y     0.0233   -3.2428   -0.1783    0.1700   -2.4133   -0.6649
z   204.0399    1.7391    0.2894    0.0891   -0.0013    0.0777   -0.0019    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1048    0.0015   -0.0010   -0.0001    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0013   -0.0001    0.0001    0.0000
z    -0.0001    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  -16.6959
z     0.1385    0.2300   -0.0310    0.0576   -0.0903    0.0006
 total charge-density along one line
x   212.0000  -10.0866    5.9315   -1.9416   -0.4213   19.2956   -0.6586    0.2078    0.0670   -0.1069
x    -2.7049   -0.0092    0.0011   -0.0443    0.0966   -2.3450    0.0473   -0.0345    0.0118    0.0024
x    -0.0855   -0.0054    0.0083   -0.0079    0.0054   -0.0375    0.0000   -0.0001    0.0003   -0.0004
x    -0.0054    0.0000   -0.0002    0.0001    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  -10.0867    5.9315   -1.9416   -0.4213   19.2956   -0.6586    0.2078    0.0670   -0.1069
y    -2.7049   -0.0092    0.0011   -0.0443    0.0966   -2.3450    0.0473   -0.0345    0.0118    0.0024
y    -0.0855   -0.0054    0.0083   -0.0079    0.0054   -0.0375    0.0000   -0.0001    0.0003   -0.0004
y    -0.0054    0.0000   -0.0002    0.0001    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 -205.3081  188.8769 -170.1728  154.0892 -140.4065  126.4999 -111.0190   94.7497  -79.0860
z    64.7213  -51.7874   40.5544  -31.5053   24.7849  -19.8606   15.8620  -12.2151    8.9096   -6.2236
z     4.2922   -2.9597    1.9615   -1.1531    0.5426   -0.1573   -0.0608    0.2213   -0.3836    0.5186
z    -0.5686    0.5252   -0.4414    0.3769   -0.3478    0.3292   -0.2950    0.2452   -0.1976    0.1643
z    -0.1415    0.1197   -0.0959    0.0749   -0.0611    0.0533   -0.0469    0.0391   -0.0314    0.0258
z    -0.0227    0.0203   -0.0173    0.0141   -0.0113    0.0093   -0.0076    0.0058   -0.0043    0.0032
z    -0.0022    0.0013   -0.0004   -0.0002    0.0004   -0.0004    0.0005   -0.0008    0.0009   -0.0007
z     0.0004   -0.0002    0.0001   -0.0001    0.0000    0.0001   -0.0003    0.0003   -0.0004    0.0003
z    -0.0003    0.0003   -0.0002    0.0002   -0.0002    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001
z     0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 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
-10.941   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.270   0.000  -0.101   0.000   0.000   0.239   0.000
  0.041   0.000 -11.246   0.000  -0.024  -0.006   0.000   0.238
  0.000  -0.101   0.000 -11.153   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.938   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.238   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.226   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.199   0.000   0.000   0.000
  0.036   0.000   0.101   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.025   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.941   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.270   0.000  -0.101   0.000   0.000   0.239   0.000
  0.041   0.000 -11.246   0.000  -0.024  -0.006   0.000   0.238
  0.000  -0.101   0.000 -11.153   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.938   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.238   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.226   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.199   0.000   0.000   0.000
  0.036   0.000   0.101   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.025   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.960   0.000  -0.027   0.000   0.002   0.021   0.000   0.057   0.000  -0.014  -0.026   0.025   0.000  -0.001   0.000   0.000
  0.000   1.587   0.000  -0.146   0.000   0.000   0.594   0.000   0.259   0.000   0.000   0.000   0.160   0.000   0.106  -0.035
 -0.027   0.000   1.788   0.000   0.019   0.044   0.000   0.356   0.000  -0.027  -0.233  -0.044   0.000   0.096   0.000   0.000
  0.000  -0.146   0.000   1.755   0.000   0.000   0.259   0.000   0.295   0.000   0.000   0.000   0.108   0.000   0.038   0.005
  0.002   0.000   0.019   0.000   1.966  -0.014   0.000  -0.035   0.000   0.003   0.010  -0.015   0.000   0.003   0.000   0.000
  0.021   0.000   0.044   0.000  -0.014   0.063   0.000   0.101   0.000  -0.024   0.191  -0.052   0.000   0.116   0.000   0.000
  0.000   0.594   0.000   0.259   0.000   0.000   0.329   0.000   0.106   0.000   0.000   0.000   0.056   0.000   0.066  -0.011
  0.057   0.000   0.356   0.000  -0.035   0.101   0.000   0.566   0.000  -0.057   0.703  -0.293   0.000   0.087   0.000   0.000
  0.000   0.259   0.000   0.295   0.000   0.000   0.106   0.000   0.207   0.000   0.000   0.000   0.065   0.000  -0.020  -0.006
 -0.014   0.000  -0.027   0.000   0.003  -0.024   0.000  -0.057   0.000   0.036  -0.109   0.030   0.000  -0.068   0.000   0.000
 -0.026   0.000  -0.233   0.000   0.010   0.191   0.000   0.703   0.000  -0.109   1.352  -0.433   0.000   0.265   0.000   0.000
  0.025   0.000  -0.044   0.000  -0.015  -0.052   0.000  -0.293   0.000   0.030  -0.433   0.193   0.000  -0.034   0.000   0.000
  0.000   0.160   0.000   0.108   0.000   0.000   0.056   0.000   0.065   0.000   0.000   0.000   0.043   0.000   0.012  -0.004
 -0.001   0.000   0.096   0.000   0.003   0.116   0.000   0.087   0.000  -0.068   0.265  -0.034   0.000   0.311   0.000   0.000
  0.000   0.106   0.000   0.038   0.000   0.000   0.066   0.000  -0.020   0.000   0.000   0.000   0.012   0.000   0.031  -0.002
  0.000  -0.035   0.000   0.005   0.000   0.000  -0.011   0.000  -0.006   0.000   0.000   0.000  -0.004   0.000  -0.002   0.001
  0.001   0.000  -0.036   0.000  -0.001  -0.005   0.000  -0.009   0.000   0.003  -0.007   0.000   0.000  -0.014   0.000   0.000
  0.000   0.005   0.000  -0.041   0.000   0.000  -0.006   0.000  -0.004   0.000   0.000   0.000  -0.002   0.000  -0.002   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        0.639   0.278   8.027   8.943
  2        0.514   0.028   0.000   0.542
  3        0.514   0.028   0.000   0.542
  4        0.864   1.783   0.000   2.647
  5        0.864   1.783   0.000   2.646
  6        0.864   1.782   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   1.783   0.000   2.647
 10        0.864   1.784   0.000   2.648
 11        0.863   1.783   0.000   2.646
 12        0.864   1.784   0.000   2.648
 13        0.864   1.783   0.000   2.646
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.863   1.777   0.000   2.640
 17        0.856   1.772   0.000   2.629
 18        0.864   1.784   0.000   2.647
 19        0.864   1.782   0.000   2.646
 20        0.864   1.782   0.000   2.645
 21        0.863   1.781   0.000   2.644
 22        0.863   1.776   0.000   2.639
 23        0.863   1.783   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   1.783   0.000   2.647
 29        0.864   1.783   0.000   2.646
 30        0.864   1.783   0.000   2.647
 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   1.782   0.000   2.646
 35        0.863   1.783   0.000   2.646
 36        0.863   1.776   0.000   2.639
 37        0.863   1.781   0.000   2.644
 38        0.864   1.782   0.000   2.645
 39        0.864   1.784   0.000   2.648
 40        0.864   1.784   0.000   2.647
 41        0.856   1.772   0.000   2.629
 42        0.863   1.777   0.000   2.640
 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   2.646
 46        0.864   1.784   0.000   2.648
 47        0.863   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   1.783   0.000   2.647
 51        0.864   1.784   0.000   2.648
 52        0.864   1.782   0.000   2.646
 53        0.864   1.783   0.000   2.646
------------------------------------------------
tot       44.832  89.435   8.027 142.293
 


 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   90.34: CPU time   45.52
    FORLOC:  VPU time    1.10: CPU time    1.10
    FORNL :  VPU time  364.62: CPU time  182.79
    STRESS:  VPU time 1095.59: CPU time  551.15
    FORCOR:  VPU time    7.43: CPU time    7.43
    FORHAR:  VPU time    1.96: CPU time    1.97
    MIXING:  VPU time    0.14: CPU time    0.13
 d Force = 0.1090775E-05[ 0.993E-06, 0.119E-05]  d Energy = 0.1509943E-05-0.419E-06
 d Force = 0.2079187E-01[ 0.208E-01, 0.208E-01]  d Ewald  =-0.3430820E-01 0.551E-01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.644752 eV

  energy  without entropy=     -471.644752  energy(sigma->0) =     -471.644752
 

  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    40729.58  40746.32 -47430.95     14.50      0.00      0.00
  Hartree  40195.70  40199.50 -39450.12      3.29      0.00      0.00
  E(xc)     -779.74   -779.55   -807.27      0.17      0.00      0.00
  Local   -83218.52 -83232.94  84198.51    -12.49      0.00      0.00
  n-local   -215.77   -215.66   -203.79     -0.16      0.00      0.00
  augment     22.10     20.53     17.35     -1.35      0.00      0.00
  Kinetic   3168.72   3171.41   3582.14     -6.13      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.24     -0.23     -0.19      0.01      0.00      0.00
  in kB       -0.15     -0.14     -0.11      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
    12.347688374  0.001622799  0.000000000     0.080980676  0.046740093  0.000000000
    -6.172445444 10.694219261  0.000000000    -0.000012288  0.093501370  0.000000000
     0.000000000  0.000000000 19.976402527     0.000000000  0.000000000  0.050059063

  length of vectors
    12.347688481 12.347688381 19.976402527     0.093501370  0.093501371  0.050059063


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.415E-05 -.456E-04 -.960E+03   0.435E-05 -.275E-04 0.968E+03   0.852E-21 0.000E+00 -.786E+01   0.334E-07 -.197E-07 -.370E-03
   -.175E+02 -.304E+02 -.136E+03   0.184E+02 0.318E+02 0.139E+03   -.829E+00 -.144E+01 -.258E+01   -.203E-04 -.362E-04 0.241E-04
   0.175E+02 0.304E+02 -.136E+03   -.184E+02 -.318E+02 0.139E+03   0.829E+00 0.144E+01 -.258E+01   0.203E-04 0.362E-04 0.241E-04
   -.197E+01 0.114E+01 0.169E+02   0.198E+01 -.114E+01 -.169E+02   -.878E-02 0.507E-02 -.691E-02   0.316E-03 -.185E-03 0.844E-04
   0.579E+01 0.691E+01 0.196E+02   -.580E+01 -.695E+01 -.196E+02   0.627E-02 0.328E-01 -.208E-01   0.369E-03 -.251E-03 0.771E-04
   0.113E+02 0.504E+01 0.183E+02   -.113E+02 -.505E+01 -.183E+02   0.231E-01 0.888E-02 -.557E-01   0.310E-03 -.111E-03 0.247E-04
   0.453E+01 -.103E+01 0.164E+02   -.456E+01 0.105E+01 -.164E+02   0.200E-01 -.170E-01 -.283E-02   0.313E-03 -.183E-03 0.102E-04
   -.293E+01 -.240E+01 0.149E+02   0.294E+01 0.241E+01 -.149E+02   -.143E-01 -.148E-01 -.255E-02   0.324E-03 -.243E-03 0.514E-04
   0.612E+00 0.373E+01 0.149E+02   -.618E+00 -.375E+01 -.149E+02   0.570E-02 0.198E-01 -.255E-02   0.367E-03 -.166E-03 0.478E-04
   0.274E+01 0.182E+02 0.245E+02   -.275E+01 -.183E+02 -.245E+02   0.101E-01 0.112E+00 -.107E-01   0.337E-03 -.836E-04 0.162E-04
   0.215E+02 0.227E+02 0.400E+02   -.216E+02 -.229E+02 -.400E+02   0.117E+00 0.228E+00 -.146E-01   0.253E-03 -.297E-03 -.130E-03
   0.265E+02 -.450E+01 0.271E+02   -.268E+02 0.462E+01 -.270E+02   0.237E+00 -.120E+00 -.558E-01   0.286E-03 -.241E-03 0.137E-04
   0.916E+01 -.529E+01 0.154E+02   -.918E+01 0.530E+01 -.155E+02   0.189E-01 -.109E-01 0.134E-02   0.419E-03 -.248E-03 0.397E-04
   0.316E+01 -.341E+01 0.164E+02   -.318E+01 0.342E+01 -.164E+02   0.247E-01 -.886E-02 -.283E-02   0.313E-03 -.184E-03 0.184E-05
   -.604E+01 0.132E+02 0.201E+02   0.605E+01 -.133E+02 -.201E+02   -.627E-02 0.756E-01 -.772E-02   0.307E-03 -.147E-03 -.235E-04
   -.123E+02 0.335E+02 0.462E+02   0.124E+02 -.342E+02 -.465E+02   -.904E-01 0.681E+00 0.352E+00   0.448E-03 -.259E-03 -.187E-04
   0.265E+02 -.153E+02 0.696E+02   -.275E+02 0.159E+02 -.717E+02   0.977E+00 -.564E+00 0.210E+01   0.243E-03 -.143E-03 0.219E-03
   0.172E+02 -.207E+02 0.271E+02   -.174E+02 0.209E+02 -.270E+02   0.222E+00 -.145E+00 -.558E-01   0.350E-03 -.135E-03 0.888E-05
   0.126E+01 -.123E+02 0.183E+02   -.127E+01 0.123E+02 -.183E+02   0.388E-02 -.245E-01 -.557E-01   0.254E-03 -.214E-03 0.192E-04
   -.387E+01 0.156E+01 0.144E+02   0.387E+01 -.157E+01 -.143E+02   -.683E-02 0.248E-02 -.404E-01   0.280E-03 -.233E-03 0.225E-04
   -.182E+02 0.105E+02 0.210E+02   0.183E+02 -.106E+02 -.209E+02   -.635E-01 0.367E-01 -.128E+00   0.392E-03 -.223E-03 0.410E-04
   -.352E+02 -.611E+01 0.462E+02   0.358E+02 0.637E+01 -.465E+02   -.635E+00 -.262E+00 0.352E+00   0.452E-03 -.259E-03 -.155E-04
   -.889E+01 -.299E+02 0.400E+02   0.903E+01 0.301E+02 -.400E+02   -.139E+00 -.215E+00 -.146E-01   0.387E-03 -.755E-04 -.131E-03
   -.309E+01 -.847E+01 0.196E+02   0.312E+01 0.849E+01 -.196E+02   -.253E-01 -.218E-01 -.208E-01   0.404E-03 -.196E-03 0.764E-04
   0.127E+01 -.730E+00 0.146E+02   -.126E+01 0.729E+00 -.146E+02   -.169E-02 0.977E-03 -.316E-01   0.356E-03 -.203E-03 0.644E-04
   -.329E+01 0.257E+01 0.144E+02   0.329E+01 -.257E+01 -.143E+02   -.556E-02 0.468E-02 -.404E-01   0.343E-03 -.122E-03 0.272E-04
   -.144E+02 -.136E+01 0.201E+02   0.145E+02 0.139E+01 -.201E+02   -.686E-01 -.324E-01 -.772E-02   0.283E-03 -.194E-03 -.158E-04
   -.144E+02 -.115E+02 0.245E+02   0.145E+02 0.115E+02 -.245E+02   -.916E-01 -.645E-01 -.107E-01   0.243E-03 -.256E-03 0.191E-04
   0.309E+01 0.847E+01 0.196E+02   -.312E+01 -.849E+01 -.196E+02   0.253E-01 0.218E-01 -.208E-01   -.404E-03 0.196E-03 0.764E-04
   0.144E+02 0.115E+02 0.245E+02   -.145E+02 -.115E+02 -.245E+02   0.916E-01 0.645E-01 -.107E-01   -.243E-03 0.256E-03 0.191E-04
   0.144E+02 0.136E+01 0.201E+02   -.145E+02 -.139E+01 -.201E+02   0.686E-01 0.324E-01 -.772E-02   -.283E-03 0.194E-03 -.158E-04
   0.329E+01 -.257E+01 0.144E+02   -.329E+01 0.257E+01 -.143E+02   0.556E-02 -.468E-02 -.404E-01   -.344E-03 0.122E-03 0.272E-04
   -.127E+01 0.730E+00 0.146E+02   0.126E+01 -.729E+00 -.146E+02   0.169E-02 -.977E-03 -.316E-01   -.356E-03 0.203E-03 0.644E-04
   -.126E+01 0.123E+02 0.183E+02   0.127E+01 -.123E+02 -.183E+02   -.388E-02 0.245E-01 -.557E-01   -.254E-03 0.214E-03 0.192E-04
   0.889E+01 0.299E+02 0.400E+02   -.903E+01 -.301E+02 -.400E+02   0.139E+00 0.215E+00 -.146E-01   -.387E-03 0.755E-04 -.131E-03
   0.352E+02 0.611E+01 0.462E+02   -.358E+02 -.637E+01 -.465E+02   0.635E+00 0.262E+00 0.352E+00   -.452E-03 0.259E-03 -.155E-04
   0.182E+02 -.105E+02 0.210E+02   -.183E+02 0.106E+02 -.209E+02   0.635E-01 -.367E-01 -.128E+00   -.392E-03 0.223E-03 0.410E-04
   0.387E+01 -.156E+01 0.144E+02   -.387E+01 0.157E+01 -.143E+02   0.683E-02 -.248E-02 -.404E-01   -.280E-03 0.233E-03 0.225E-04
   -.316E+01 0.341E+01 0.164E+02   0.318E+01 -.342E+01 -.164E+02   -.247E-01 0.886E-02 -.283E-02   -.313E-03 0.184E-03 0.184E-05
   -.172E+02 0.207E+02 0.271E+02   0.174E+02 -.209E+02 -.270E+02   -.222E+00 0.145E+00 -.558E-01   -.350E-03 0.135E-03 0.888E-05
   -.265E+02 0.153E+02 0.696E+02   0.275E+02 -.159E+02 -.717E+02   -.977E+00 0.564E+00 0.210E+01   -.243E-03 0.143E-03 0.219E-03
   0.123E+02 -.335E+02 0.462E+02   -.124E+02 0.342E+02 -.465E+02   0.904E-01 -.681E+00 0.352E+00   -.448E-03 0.259E-03 -.187E-04
   0.604E+01 -.132E+02 0.201E+02   -.605E+01 0.133E+02 -.201E+02   0.627E-02 -.756E-01 -.772E-02   -.307E-03 0.147E-03 -.235E-04
   -.613E+00 -.373E+01 0.149E+02   0.618E+00 0.375E+01 -.149E+02   -.570E-02 -.198E-01 -.255E-02   -.367E-03 0.166E-03 0.478E-04
   -.916E+01 0.529E+01 0.154E+02   0.918E+01 -.530E+01 -.155E+02   -.189E-01 0.109E-01 0.134E-02   -.419E-03 0.248E-03 0.397E-04
   -.265E+02 0.450E+01 0.271E+02   0.268E+02 -.462E+01 -.270E+02   -.237E+00 0.120E+00 -.558E-01   -.286E-03 0.241E-03 0.137E-04
   -.215E+02 -.227E+02 0.400E+02   0.216E+02 0.229E+02 -.400E+02   -.117E+00 -.228E+00 -.146E-01   -.253E-03 0.297E-03 -.130E-03
   -.274E+01 -.182E+02 0.245E+02   0.275E+01 0.183E+02 -.245E+02   -.101E-01 -.112E+00 -.107E-01   -.337E-03 0.836E-04 0.162E-04
   0.197E+01 -.114E+01 0.169E+02   -.198E+01 0.114E+01 -.169E+02   0.878E-02 -.507E-02 -.691E-02   -.316E-03 0.185E-03 0.844E-04
   0.293E+01 0.240E+01 0.149E+02   -.294E+01 -.241E+01 -.149E+02   0.143E-01 0.148E-01 -.255E-02   -.324E-03 0.243E-03 0.514E-04
   -.453E+01 0.103E+01 0.164E+02   0.456E+01 -.105E+01 -.164E+02   -.200E-01 0.170E-01 -.283E-02   -.313E-03 0.183E-03 0.102E-04
   -.113E+02 -.504E+01 0.183E+02   0.113E+02 0.505E+01 -.183E+02   -.231E-01 -.888E-02 -.557E-01   -.310E-03 0.111E-03 0.247E-04
   -.579E+01 -.691E+01 0.196E+02   0.580E+01 0.695E+01 -.196E+02   -.627E-02 -.328E-01 -.208E-01   -.369E-03 0.251E-03 0.771E-04
 -----------------------------------------------------------------------------------------------
   -.182E-02 0.307E-03 0.858E+01   -.142E-12 0.249E-13 0.639E-13   0.241E-15 0.694E-16 -.859E+01   0.279E-07 -.169E-07 0.739E-03
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85295      6.06076     12.33227         0.000000      0.000000      0.008782
      2.26017      6.76609     13.65161         0.005770      0.009994      0.013089
      1.44572      5.35543     13.65161        -0.005770     -0.009994      0.013089
      0.00054     -0.00031      9.95768         0.000692     -0.000400     -0.003360
     11.11239      2.13931      9.95949         0.000702     -0.002174     -0.004011
      9.87688      4.27883      9.97098        -0.002447      0.000237     -0.001262
      8.64350      6.41818      9.96991        -0.000613      0.001180     -0.000102
     -4.93635      8.55547      9.96577         0.000220     -0.000456     -0.002184
      2.47025     -0.00112      9.96577         0.000505      0.000038     -0.002184
      1.23472      2.13601      9.97071         0.001266      0.003447     -0.002286
     -0.00400      4.27488      9.99867         0.000433     -0.003417      0.003562
     -1.23851      6.41599     10.00466         0.000065     -0.001613      0.002411
     -2.46723      8.55501      9.97819         0.002776     -0.001603     -0.000875
      4.93870      0.00126      9.96991        -0.001328     -0.000059     -0.000102
      3.70496      2.13642      9.97770        -0.001556      0.002092      0.001998
      2.47075      4.26301     10.04229         0.002540      0.000786      0.002309
      1.22833      6.42138     10.11469         0.003502     -0.002022     -0.008231
     -0.00042      8.56042     10.00466         0.001429      0.000751      0.002411
      7.40812      0.00280      9.97098        -0.001429      0.002000     -0.001262
      6.17355      2.14005      9.97107        -0.000377     -0.000954     -0.000919
      4.94044      4.27820      9.99907         0.001708     -0.000986     -0.001374
      3.71875      6.42461     10.04229         0.000589     -0.002593      0.002309
      2.47109      8.56186      9.99867         0.003175      0.001334      0.003562
      9.87875      0.00258      9.95949         0.002234      0.000479     -0.004011
      8.64285      2.14061      9.96227         0.000324     -0.000187     -0.002673
      7.40869      4.27937      9.97107         0.000637      0.000803     -0.000919
      6.17753      6.41904      9.97770        -0.002590      0.000302      0.001998
      4.94276      8.55854      9.97071        -0.002352     -0.002820     -0.002286
     -0.00041      1.42472      9.95949        -0.002234     -0.000479     -0.004011
     -1.23687      3.56298      9.97071         0.002352      0.002820     -0.002286
     -2.47164      5.70248      9.97770         0.002590     -0.000302      0.001998
     -3.70279      7.84215      9.97107        -0.000637     -0.000803     -0.000919
     -4.93696      9.98091      9.96227        -0.000324      0.000187     -0.002673
      2.47022      1.42451      9.97098         0.001429     -0.002000     -0.001262
      1.23480      3.55966      9.99867        -0.003175     -0.001334      0.003562
     -0.01286      5.69691     10.04229        -0.000589      0.002593      0.002309
     -1.23455      7.84333      9.99907        -0.001708      0.000986     -0.001374
     -2.46765      9.98148      9.97107         0.000377      0.000954     -0.000919
      4.93964      1.42604      9.96991         0.001328      0.000059     -0.000102
      3.70631      3.56110     10.00466        -0.001429     -0.000751      0.002411
      2.47756      5.70014     10.11469        -0.003502      0.002022     -0.008231
      1.23514      7.85852     10.04229        -0.002540     -0.000786      0.002309
      0.00093      9.98510      9.97770         0.001556     -0.002092      0.001998
      7.40808      1.42842      9.96577        -0.000505     -0.000038     -0.002184
      6.17312      3.56651      9.97819        -0.002776      0.001603     -0.000875
      4.94440      5.70553     10.00466        -0.000065      0.001613      0.002411
      3.70989      7.84664      9.99867        -0.000433      0.003417      0.003562
      2.47118      9.98551      9.97071        -0.001266     -0.003447     -0.002286
      9.87780      1.42761      9.95768        -0.000692      0.000400     -0.003360
      8.64224      3.56605      9.96577        -0.000220      0.000456     -0.002184
      7.41008      5.70497      9.96991         0.000613     -0.001180     -0.000102
      6.17670      7.84431      9.97098         0.002447     -0.000237     -0.001262
      4.94119      9.98384      9.95949        -0.000702      0.002174     -0.004011
 -----------------------------------------------------------------------------------
    total drift:                               -0.001816      0.000307     -0.014137


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




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


    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  150.70: CPU time   75.49
     LOOP+:  VPU time 4134.84: CPU time 2118.53


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


    POTLOK:  VPU time    7.77: CPU time    7.76
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1074.49: CPU time  548.73
 BZINTS: Fermi energy: -3.152123;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   90.19: CPU time   45.48
    MIXING:  VPU time    0.13: CPU time    0.12
    ------------------------------------------
      LOOP:  VPU time 1172.93: CPU time  602.41

 eigenvalue-minimisations  :  3816
 total energy-change (2. order) :-0.4716448E+03  (-0.1652224E-06)
 number of electron  212.0000029 magnetization    0.0000000
 augmentation part     7.9600574 magnetization   -0.0000001

 Broyden mixing:
  rms(total) = 0.72973E-04    rms(broyden)= 0.72958E-04
  rms(prec ) = 0.77832E-04
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34044.97909678
  -1/2 Hartree   DENC   =    -40945.08489365
  -V(xc)+E(xc)   XCENC  =       726.60842228
  PAW double counting   =      4092.86981084    -4131.25448313
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.20255936
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64475264 eV

  energy without entropy =     -471.64475264  energy(sigma->0) =     -471.64475264


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




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


    POTLOK:  VPU time    7.75: CPU time    7.75
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1071.39: CPU time  548.77
 BZINTS: Fermi energy: -3.151963;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1079.48: CPU time  556.85

 eigenvalue-minimisations  :  3800
 total energy-change (2. order) :-0.7374365E-07  (-0.2607625E-07)
 number of electron  212.0000029 magnetization    0.0000000
 augmentation part     7.9600574 magnetization   -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34044.97909678
  -1/2 Hartree   DENC   =    -40945.08635923
  -V(xc)+E(xc)   XCENC  =       726.60845339
  PAW double counting   =      4092.87075854    -4131.25542198
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.20113382
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64475271 eV

  energy without entropy =     -471.64475271  energy(sigma->0) =     -471.64475271


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




 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 -58.5416       2 -39.9851       3 -39.9851       4 -58.2440       5 -58.2485
       6 -58.2557       7 -58.2466       8 -58.2447       9 -58.2447      10 -58.2606
      11 -58.3154      12 -58.2923      13 -58.2497      14 -58.2466      15 -58.2575
      16 -58.4379      17 -58.7320      18 -58.2923      19 -58.2557      20 -58.2501
      21 -58.2773      22 -58.4379      23 -58.3154      24 -58.2485      25 -58.2434
      26 -58.2501      27 -58.2576      28 -58.2606      29 -58.2484      30 -58.2605
      31 -58.2574      32 -58.2500      33 -58.2433      34 -58.2556      35 -58.3153
      36 -58.4378      37 -58.2772      38 -58.2500      39 -58.2464      40 -58.2921
      41 -58.7318      42 -58.4378      43 -58.2574      44 -58.2446      45 -58.2496
      46 -58.2922      47 -58.3153      48 -58.2605      49 -58.2439      50 -58.2446
      51 -58.2465      52 -58.2556      53 -58.2484
 
 
 
 E-fermi :  -3.1520     XC(G=0):  -2.3404     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     -22.3559      1.00000
      2     -21.5364      1.00000
      3     -21.4064      1.00000
      4     -21.4055      1.00000
      5     -21.3743      1.00000
      6     -21.3652      1.00000
      7     -21.3579      1.00000
      8     -19.6459      1.00000
      9     -19.5717      1.00000
     10     -19.5646      1.00000
     11     -19.5581      1.00000
     12     -19.5397      1.00000
     13     -19.5368      1.00000
     14     -18.7278      1.00000
     15     -18.6793      1.00000
     16     -18.6717      1.00000
     17     -18.6581      1.00000
     18     -18.6426      1.00000
     19     -18.6408      1.00000
     20     -16.5858      1.00000
     21     -16.5262      1.00000
     22     -16.5236      1.00000
     23     -16.5104      1.00000
     24     -16.4865      1.00000
     25     -16.4846      1.00000
     26     -15.5581      1.00000
     27     -15.5259      1.00000
     28     -15.5250      1.00000
     29     -15.4995      1.00000
     30     -15.4942      1.00000
     31     -15.4884      1.00000
     32     -14.2062      1.00000
     33     -14.1800      1.00000
     34     -14.1668      1.00000
     35     -14.1647      1.00000
     36     -14.1595      1.00000
     37     -14.1481      1.00000
     38     -11.8842      1.00000
     39     -11.8076      1.00000
     40     -11.7920      1.00000
     41     -11.7916      1.00000
     42     -11.7884      1.00000
     43     -11.7827      1.00000
     44     -11.7043      1.00000
     45     -11.6976      1.00000
     46     -11.6724      1.00000
     47     -11.6573      1.00000
     48     -11.6571      1.00000
     49     -11.6501      1.00000
     50     -10.6748      1.00000
     51     -10.3287      1.00000
     52     -10.3209      1.00000
     53     -10.3053      1.00000
     54     -10.3036      1.00000
     55     -10.2905      1.00000
     56     -10.2773      1.00000
     57      -9.9286      1.00000
     58      -9.3726      1.00000
     59      -9.3589      1.00000
     60      -9.2997      1.00000
     61      -9.2915      1.00000
     62      -9.2847      1.00000
     63      -9.0920      1.00000
     64      -9.0539      1.00000
     65      -9.0489      1.00000
     66      -9.0266      1.00000
     67      -9.0065      1.00000
     68      -9.0014      1.00000
     69      -9.0002      1.00000
     70      -8.9947      1.00000
     71      -8.9915      1.00000
     72      -8.9724      1.00000
     73      -8.9645      1.00000
     74      -8.9534      1.00000
     75      -8.5012      1.00000
     76      -7.5155      1.00000
     77      -7.4102      1.00000
     78      -7.4100      1.00000
     79      -7.4011      1.00000
     80      -7.3836      1.00000
     81      -7.3636      1.00000
     82      -7.3412      1.00000
     83      -7.3080      1.00000
     84      -7.2688      1.00000
     85      -7.2062      1.00000
     86      -7.1796      1.00000
     87      -7.1793      1.00000
     88      -7.0750      1.00000
     89      -6.5096      1.00000
     90      -6.4611      1.00000
     91      -6.3548      1.00000
     92      -6.2930      1.00000
     93      -6.2873      1.00000
     94      -6.2860      1.00000
     95      -5.8968      1.00000
     96      -5.8845      1.00000
     97      -5.0507      1.00000
     98      -4.9380      1.00000
     99      -4.5398      1.00000
    100      -4.3401      1.00000
    101      -4.3177      1.00000
    102      -4.3167      1.00000
    103      -4.1152      1.00000
    104      -3.9131      1.00000
    105      -3.9012      1.00000
    106      -3.8352      1.00000
    107      -1.6812      0.00000
    108      -1.6676      0.00000
    109      -1.5367      0.00000
    110      -1.5350      0.00000
    111      -1.5218      0.00000
    112      -1.5088      0.00000
    113      -0.5842      0.00000
    114       0.1343      0.00000
    115       0.2059      0.00000
    116       0.3248      0.00000
    117       0.3269      0.00000
    118       0.3343      0.00000
    119       0.4966      0.00000
    120       0.5978      0.00000
    121       1.2597      0.00000
    122       1.2761      0.00000
    123       1.5310      0.00000
    124       1.7959      0.00000
    125       1.8051      0.00000
    126       1.8085      0.00000
    127       1.8134      0.00000
    128       1.9466      0.00000
    129       1.9819      0.00000
    130       2.0321      0.00000
    131       2.0455      0.00000
    132       2.0507      0.00000
    133       2.0553      0.00000
    134       2.0621      0.00000
    135       2.3098      0.00000
    136       2.3246      0.00000
    137       2.6161      0.00000
    138       2.6240      0.00000
    139       2.6533      0.00000
    140       2.7308      0.00000
    141       2.8632      0.00000
    142       3.0257      0.00000
    143       3.0544      0.00000
    144       3.0872      0.00000
    145       3.1025      0.00000
    146       3.1026      0.00000
    147       3.1039      0.00000
    148       3.2374      0.00000
    149       3.4527      0.00000
    150       3.5410      0.00000
    151       3.7860      0.00000
    152       3.9452      0.00000
    153       3.9496      0.00000
    154       3.9594      0.00000
    155       3.9648      0.00000
    156       3.9984      0.00000
    157       4.1846      0.00000
    158       4.2733      0.00000
    159       4.2892      0.00000
    160       4.2893      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3193      1.00000
      2     -21.7608      1.00000
      3     -21.5701      1.00000
      4     -21.5372      1.00000
      5     -21.2073      1.00000
      6     -21.1623      1.00000
      7     -20.9866      1.00000
      8     -20.1012      1.00000
      9     -20.0570      1.00000
     10     -19.5458      1.00000
     11     -19.5210      1.00000
     12     -19.3486      1.00000
     13     -19.0243      1.00000
     14     -18.9890      1.00000
     15     -18.9809      1.00000
     16     -18.9685      1.00000
     17     -18.2969      1.00000
     18     -18.2775      1.00000
     19     -17.9515      1.00000
     20     -17.0094      1.00000
     21     -16.9591      1.00000
     22     -16.8781      1.00000
     23     -16.8683      1.00000
     24     -16.4044      1.00000
     25     -16.3896      1.00000
     26     -15.5514      1.00000
     27     -15.5354      1.00000
     28     -15.1973      1.00000
     29     -15.1686      1.00000
     30     -15.1143      1.00000
     31     -15.0272      1.00000
     32     -15.0025      1.00000
     33     -14.6358      1.00000
     34     -14.6239      1.00000
     35     -13.6670      1.00000
     36     -13.6515      1.00000
     37     -13.1692      1.00000
     38     -12.5507      1.00000
     39     -12.5174      1.00000
     40     -12.3906      1.00000
     41     -12.3775      1.00000
     42     -12.0571      1.00000
     43     -12.0340      1.00000
     44     -11.6591      1.00000
     45     -11.6165      1.00000
     46     -11.1806      1.00000
     47     -11.1565      1.00000
     48     -10.9649      1.00000
     49     -10.9403      1.00000
     50     -10.8734      1.00000
     51     -10.8368      1.00000
     52     -10.6029      1.00000
     53     -10.0936      1.00000
     54     -10.0884      1.00000
     55     -10.0466      1.00000
     56      -9.9704      1.00000
     57      -9.6541      1.00000
     58      -9.6289      1.00000
     59      -9.5915      1.00000
     60      -9.5293      1.00000
     61      -9.5105      1.00000
     62      -9.4785      1.00000
     63      -9.2645      1.00000
     64      -9.2409      1.00000
     65      -9.2205      1.00000
     66      -9.1657      1.00000
     67      -9.0681      1.00000
     68      -9.0465      1.00000
     69      -9.0404      1.00000
     70      -8.8824      1.00000
     71      -8.8058      1.00000
     72      -8.5787      1.00000
     73      -8.5220      1.00000
     74      -8.4614      1.00000
     75      -8.0350      1.00000
     76      -7.8119      1.00000
     77      -7.8068      1.00000
     78      -7.7923      1.00000
     79      -7.6996      1.00000
     80      -7.6905      1.00000
     81      -7.3645      1.00000
     82      -7.2736      1.00000
     83      -7.2640      1.00000
     84      -7.2159      1.00000
     85      -7.1726      1.00000
     86      -7.0083      1.00000
     87      -6.9470      1.00000
     88      -6.7471      1.00000
     89      -6.6720      1.00000
     90      -6.5938      1.00000
     91      -6.5589      1.00000
     92      -6.0505      1.00000
     93      -6.0474      1.00000
     94      -6.0216      1.00000
     95      -5.9582      1.00000
     96      -5.7362      1.00000
     97      -5.1580      1.00000
     98      -4.9906      1.00000
     99      -4.7188      1.00000
    100      -4.6105      1.00000
    101      -4.4401      1.00000
    102      -4.3740      1.00000
    103      -4.1225      1.00000
    104      -3.8683      1.00000
    105      -3.8350      1.00000
    106      -3.7904      1.00000
    107      -1.7850      0.00000
    108      -1.7382      0.00000
    109      -1.3943      0.00000
    110      -1.3459      0.00000
    111      -1.2638      0.00000
    112      -1.2257      0.00000
    113      -0.7445      0.00000
    114      -0.3787      0.00000
    115      -0.2199      0.00000
    116      -0.0176      0.00000
    117       0.5919      0.00000
    118       0.7372      0.00000
    119       0.7642      0.00000
    120       1.0501      0.00000
    121       1.1417      0.00000
    122       1.2512      0.00000
    123       1.2734      0.00000
    124       1.4157      0.00000
    125       1.4811      0.00000
    126       1.5894      0.00000
    127       1.7588      0.00000
    128       1.8415      0.00000
    129       1.8970      0.00000
    130       1.9600      0.00000
    131       2.1086      0.00000
    132       2.2390      0.00000
    133       2.2510      0.00000
    134       2.2990      0.00000
    135       2.4900      0.00000
    136       2.6185      0.00000
    137       2.6393      0.00000
    138       2.7698      0.00000
    139       2.8031      0.00000
    140       2.8574      0.00000
    141       2.8682      0.00000
    142       2.8931      0.00000
    143       2.9605      0.00000
    144       3.0872      0.00000
    145       3.2834      0.00000
    146       3.3114      0.00000
    147       3.3759      0.00000
    148       3.4091      0.00000
    149       3.4690      0.00000
    150       3.5912      0.00000
    151       3.6394      0.00000
    152       3.6716      0.00000
    153       3.7093      0.00000
    154       3.9098      0.00000
    155       3.9459      0.00000
    156       3.9842      0.00000
    157       4.0897      0.00000
    158       4.2080      0.00000
    159       4.2467      0.00000
    160       4.3004      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2137      1.00000
      2     -22.0074      1.00000
      3     -21.6488      1.00000
      4     -21.6116      1.00000
      5     -20.9126      1.00000
      6     -20.8660      1.00000
      7     -20.5453      1.00000
      8     -20.5057      1.00000
      9     -20.4953      1.00000
     10     -19.9631      1.00000
     11     -19.4420      1.00000
     12     -19.4148      1.00000
     13     -19.2412      1.00000
     14     -19.2266      1.00000
     15     -18.3838      1.00000
     16     -18.3394      1.00000
     17     -17.8597      1.00000
     18     -17.8385      1.00000
     19     -17.6976      1.00000
     20     -17.6548      1.00000
     21     -17.3717      1.00000
     22     -17.3556      1.00000
     23     -17.2739      1.00000
     24     -16.4009      1.00000
     25     -16.3861      1.00000
     26     -15.8961      1.00000
     27     -15.3522      1.00000
     28     -15.3367      1.00000
     29     -15.0344      1.00000
     30     -15.0204      1.00000
     31     -14.7993      1.00000
     32     -14.7744      1.00000
     33     -14.2215      1.00000
     34     -14.1895      1.00000
     35     -13.3706      1.00000
     36     -13.3369      1.00000
     37     -13.1196      1.00000
     38     -13.1020      1.00000
     39     -12.9159      1.00000
     40     -12.9024      1.00000
     41     -12.5565      1.00000
     42     -12.5384      1.00000
     43     -12.1329      1.00000
     44     -11.5219      1.00000
     45     -11.4735      1.00000
     46     -11.2536      1.00000
     47     -11.2194      1.00000
     48     -11.0793      1.00000
     49     -10.6603      1.00000
     50     -10.5884      1.00000
     51     -10.5239      1.00000
     52     -10.2574      1.00000
     53     -10.2486      1.00000
     54     -10.1228      1.00000
     55     -10.0484      1.00000
     56     -10.0408      1.00000
     57      -9.7701      1.00000
     58      -9.7051      1.00000
     59      -9.6797      1.00000
     60      -9.6300      1.00000
     61      -9.6259      1.00000
     62      -9.5874      1.00000
     63      -9.2944      1.00000
     64      -9.2851      1.00000
     65      -9.2530      1.00000
     66      -9.0892      1.00000
     67      -8.8968      1.00000
     68      -8.8828      1.00000
     69      -8.7245      1.00000
     70      -8.5896      1.00000
     71      -8.5139      1.00000
     72      -8.3305      1.00000
     73      -8.3024      1.00000
     74      -8.2644      1.00000
     75      -8.2323      1.00000
     76      -8.1947      1.00000
     77      -8.1856      1.00000
     78      -8.1705      1.00000
     79      -8.1024      1.00000
     80      -7.6883      1.00000
     81      -7.3574      1.00000
     82      -7.3102      1.00000
     83      -7.2643      1.00000
     84      -7.1876      1.00000
     85      -7.1252      1.00000
     86      -7.0767      1.00000
     87      -6.9068      1.00000
     88      -6.8822      1.00000
     89      -6.5491      1.00000
     90      -6.4923      1.00000
     91      -6.2097      1.00000
     92      -6.0702      1.00000
     93      -5.9421      1.00000
     94      -5.7158      1.00000
     95      -5.6329      1.00000
     96      -5.4525      1.00000
     97      -5.3052      1.00000
     98      -5.2338      1.00000
     99      -5.1518      1.00000
    100      -5.1513      1.00000
    101      -4.5237      1.00000
    102      -4.4710      1.00000
    103      -4.1441      1.00000
    104      -3.8380      1.00000
    105      -3.7572      1.00000
    106      -3.6793      1.00000
    107      -1.8707      0.00000
    108      -1.8236      0.00000
    109      -1.2768      0.00000
    110      -1.0359      0.00000
    111      -1.0115      0.00000
    112      -0.7119      0.00000
    113      -0.6397      0.00000
    114      -0.5879      0.00000
    115      -0.5458      0.00000
    116      -0.2012      0.00000
    117       0.2528      0.00000
    118       0.2788      0.00000
    119       0.7624      0.00000
    120       0.9470      0.00000
    121       1.1330      0.00000
    122       1.2272      0.00000
    123       1.3215      0.00000
    124       1.4139      0.00000
    125       1.6028      0.00000
    126       1.6342      0.00000
    127       1.7038      0.00000
    128       1.8254      0.00000
    129       1.9231      0.00000
    130       2.0153      0.00000
    131       2.1092      0.00000
    132       2.3314      0.00000
    133       2.3968      0.00000
    134       2.4350      0.00000
    135       2.5449      0.00000
    136       2.6358      0.00000
    137       2.7568      0.00000
    138       2.8248      0.00000
    139       2.8348      0.00000
    140       2.8889      0.00000
    141       3.0449      0.00000
    142       3.0921      0.00000
    143       3.1900      0.00000
    144       3.2429      0.00000
    145       3.3909      0.00000
    146       3.4246      0.00000
    147       3.4848      0.00000
    148       3.5773      0.00000
    149       3.6044      0.00000
    150       3.6286      0.00000
    151       3.6532      0.00000
    152       3.7443      0.00000
    153       3.7743      0.00000
    154       3.7909      0.00000
    155       3.8089      0.00000
    156       3.9001      0.00000
    157       3.9800      0.00000
    158       4.0143      0.00000
    159       4.1794      0.00000
    160       4.2414      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2475      1.00000
      2     -21.8932      1.00000
      3     -21.8225      1.00000
      4     -21.3112      1.00000
      5     -21.2808      1.00000
      6     -20.7700      1.00000
      7     -20.7040      1.00000
      8     -20.5556      1.00000
      9     -20.0082      1.00000
     10     -20.0009      1.00000
     11     -19.6473      1.00000
     12     -19.6230      1.00000
     13     -18.9289      1.00000
     14     -18.9205      1.00000
     15     -18.5701      1.00000
     16     -18.5561      1.00000
     17     -18.3932      1.00000
     18     -17.6145      1.00000
     19     -17.5581      1.00000
     20     -17.5530      1.00000
     21     -17.5114      1.00000
     22     -17.0554      1.00000
     23     -17.0375      1.00000
     24     -16.8910      1.00000
     25     -15.9292      1.00000
     26     -15.8668      1.00000
     27     -15.5159      1.00000
     28     -15.5149      1.00000
     29     -15.2279      1.00000
     30     -14.7941      1.00000
     31     -14.7666      1.00000
     32     -14.5147      1.00000
     33     -14.4706      1.00000
     34     -14.1013      1.00000
     35     -14.0902      1.00000
     36     -13.0758      1.00000
     37     -13.0324      1.00000
     38     -12.9663      1.00000
     39     -12.9541      1.00000
     40     -12.6447      1.00000
     41     -12.6382      1.00000
     42     -12.2736      1.00000
     43     -12.2422      1.00000
     44     -11.5875      1.00000
     45     -11.5602      1.00000
     46     -11.5058      1.00000
     47     -10.9046      1.00000
     48     -10.8505      1.00000
     49     -10.6217      1.00000
     50     -10.5588      1.00000
     51     -10.4849      1.00000
     52     -10.4332      1.00000
     53     -10.4233      1.00000
     54     -10.3706      1.00000
     55     -10.2932      1.00000
     56     -10.0652      1.00000
     57      -9.8327      1.00000
     58      -9.5478      1.00000
     59      -9.4877      1.00000
     60      -9.4719      1.00000
     61      -9.3458      1.00000
     62      -9.3301      1.00000
     63      -9.3097      1.00000
     64      -9.3078      1.00000
     65      -9.2140      1.00000
     66      -9.1118      1.00000
     67      -9.0804      1.00000
     68      -9.0491      1.00000
     69      -8.8486      1.00000
     70      -8.7925      1.00000
     71      -8.7736      1.00000
     72      -8.5266      1.00000
     73      -8.4755      1.00000
     74      -8.2229      1.00000
     75      -8.1098      1.00000
     76      -8.0989      1.00000
     77      -7.8077      1.00000
     78      -7.7838      1.00000
     79      -7.7813      1.00000
     80      -7.6733      1.00000
     81      -7.6311      1.00000
     82      -7.6300      1.00000
     83      -7.4007      1.00000
     84      -7.3244      1.00000
     85      -7.2003      1.00000
     86      -6.8392      1.00000
     87      -6.8289      1.00000
     88      -6.6626      1.00000
     89      -6.5382      1.00000
     90      -6.3444      1.00000
     91      -6.3074      1.00000
     92      -6.1838      1.00000
     93      -6.1473      1.00000
     94      -5.9772      1.00000
     95      -5.5724      1.00000
     96      -5.4258      1.00000
     97      -5.2584      1.00000
     98      -5.2520      1.00000
     99      -5.1488      1.00000
    100      -4.6956      1.00000
    101      -4.6649      1.00000
    102      -4.3491      1.00000
    103      -4.3166      1.00000
    104      -3.9652      1.00000
    105      -3.8315      1.00000
    106      -3.3891      1.00000
    107      -2.2199      0.00000
    108      -1.3766      0.00000
    109      -1.2862      0.00000
    110      -1.1729      0.00000
    111      -1.0774      0.00000
    112      -0.8935      0.00000
    113      -0.7677      0.00000
    114      -0.7570      0.00000
    115      -0.2168      0.00000
    116       0.1138      0.00000
    117       0.2638      0.00000
    118       0.3461      0.00000
    119       0.7362      0.00000
    120       0.9039      0.00000
    121       0.9723      0.00000
    122       1.0958      0.00000
    123       1.2107      0.00000
    124       1.5309      0.00000
    125       1.5661      0.00000
    126       1.7185      0.00000
    127       1.8391      0.00000
    128       1.8628      0.00000
    129       1.9711      0.00000
    130       2.0026      0.00000
    131       2.1611      0.00000
    132       2.2714      0.00000
    133       2.4588      0.00000
    134       2.4712      0.00000
    135       2.5073      0.00000
    136       2.6665      0.00000
    137       2.6875      0.00000
    138       2.7347      0.00000
    139       2.7465      0.00000
    140       2.8963      0.00000
    141       3.0253      0.00000
    142       3.0857      0.00000
    143       3.1947      0.00000
    144       3.2568      0.00000
    145       3.2619      0.00000
    146       3.2729      0.00000
    147       3.3640      0.00000
    148       3.4857      0.00000
    149       3.5321      0.00000
    150       3.6993      0.00000
    151       3.7625      0.00000
    152       3.7712      0.00000
    153       3.8378      0.00000
    154       3.8836      0.00000
    155       3.9464      0.00000
    156       3.9857      0.00000
    157       4.0245      0.00000
    158       4.0531      0.00000
    159       4.0586      0.00000
    160       4.0913      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1415      1.00000
      2     -22.0463      1.00000
      3     -21.8861      1.00000
      4     -21.3341      1.00000
      5     -20.9813      1.00000
      6     -20.9427      1.00000
      7     -20.4329      1.00000
      8     -20.3902      1.00000
      9     -20.2261      1.00000
     10     -20.2046      1.00000
     11     -19.8886      1.00000
     12     -19.8210      1.00000
     13     -18.8144      1.00000
     14     -18.7433      1.00000
     15     -18.2895      1.00000
     16     -18.2360      1.00000
     17     -18.0854      1.00000
     18     -18.0653      1.00000
     19     -17.7611      1.00000
     20     -17.7187      1.00000
     21     -17.1884      1.00000
     22     -17.1696      1.00000
     23     -17.0992      1.00000
     24     -17.0634      1.00000
     25     -16.0375      1.00000
     26     -15.8225      1.00000
     27     -15.7992      1.00000
     28     -15.7643      1.00000
     29     -15.1734      1.00000
     30     -14.4909      1.00000
     31     -14.4580      1.00000
     32     -14.2175      1.00000
     33     -13.8947      1.00000
     34     -13.8899      1.00000
     35     -13.7556      1.00000
     36     -13.7356      1.00000
     37     -13.5514      1.00000
     38     -13.5027      1.00000
     39     -13.2995      1.00000
     40     -12.5639      1.00000
     41     -12.1251      1.00000
     42     -12.0657      1.00000
     43     -12.0096      1.00000
     44     -11.9512      1.00000
     45     -11.6107      1.00000
     46     -11.5878      1.00000
     47     -11.0852      1.00000
     48     -11.0516      1.00000
     49     -10.7533      1.00000
     50     -10.6637      1.00000
     51     -10.5272      1.00000
     52     -10.1485      1.00000
     53     -10.1380      1.00000
     54     -10.0956      1.00000
     55      -9.9528      1.00000
     56      -9.9475      1.00000
     57      -9.9167      1.00000
     58      -9.7376      1.00000
     59      -9.7308      1.00000
     60      -9.7005      1.00000
     61      -9.6906      1.00000
     62      -9.4298      1.00000
     63      -9.3627      1.00000
     64      -9.0870      1.00000
     65      -9.0064      1.00000
     66      -8.9743      1.00000
     67      -8.8876      1.00000
     68      -8.8109      1.00000
     69      -8.6582      1.00000
     70      -8.6347      1.00000
     71      -8.5790      1.00000
     72      -8.4779      1.00000
     73      -8.4673      1.00000
     74      -8.3979      1.00000
     75      -8.3938      1.00000
     76      -8.1835      1.00000
     77      -8.1144      1.00000
     78      -7.9768      1.00000
     79      -7.9155      1.00000
     80      -7.8467      1.00000
     81      -7.6180      1.00000
     82      -7.5297      1.00000
     83      -7.4689      1.00000
     84      -7.2573      1.00000
     85      -6.9346      1.00000
     86      -6.8574      1.00000
     87      -6.8109      1.00000
     88      -6.5752      1.00000
     89      -6.4668      1.00000
     90      -6.4202      1.00000
     91      -6.3563      1.00000
     92      -6.0525      1.00000
     93      -5.8780      1.00000
     94      -5.7529      1.00000
     95      -5.7213      1.00000
     96      -5.4774      1.00000
     97      -5.3463      1.00000
     98      -5.1800      1.00000
     99      -5.1558      1.00000
    100      -5.1544      1.00000
    101      -4.7077      1.00000
    102      -4.4412      1.00000
    103      -4.2565      1.00000
    104      -3.9969      1.00000
    105      -3.8304      1.00000
    106      -3.1556      1.00000
    107      -2.4627      0.00000
    108      -1.3784      0.00000
    109      -1.2411      0.00000
    110      -1.1458      0.00000
    111      -1.1142      0.00000
    112      -0.5630      0.00000
    113      -0.4344      0.00000
    114      -0.4293      0.00000
    115      -0.3099      0.00000
    116      -0.1897      0.00000
    117       0.0621      0.00000
    118       0.1176      0.00000
    119       0.5405      0.00000
    120       0.6844      0.00000
    121       0.8730      0.00000
    122       0.9702      0.00000
    123       1.1132      0.00000
    124       1.4973      0.00000
    125       1.6641      0.00000
    126       1.8072      0.00000
    127       1.8795      0.00000
    128       2.0960      0.00000
    129       2.1410      0.00000
    130       2.1986      0.00000
    131       2.2161      0.00000
    132       2.3404      0.00000
    133       2.3640      0.00000
    134       2.4892      0.00000
    135       2.5821      0.00000
    136       2.6714      0.00000
    137       2.8807      0.00000
    138       2.9382      0.00000
    139       2.9679      0.00000
    140       2.9960      0.00000
    141       3.0440      0.00000
    142       3.1526      0.00000
    143       3.1826      0.00000
    144       3.2490      0.00000
    145       3.2926      0.00000
    146       3.3340      0.00000
    147       3.3506      0.00000
    148       3.3813      0.00000
    149       3.4172      0.00000
    150       3.4985      0.00000
    151       3.5577      0.00000
    152       3.6365      0.00000
    153       3.6972      0.00000
    154       3.7117      0.00000
    155       3.7296      0.00000
    156       3.9222      0.00000
    157       3.9390      0.00000
    158       4.0619      0.00000
    159       4.0931      0.00000
    160       4.2061      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2473      1.00000
      2     -21.8947      1.00000
      3     -21.8210      1.00000
      4     -21.3158      1.00000
      5     -21.2768      1.00000
      6     -20.7710      1.00000
      7     -20.7020      1.00000
      8     -20.5540      1.00000
      9     -20.0224      1.00000
     10     -19.9899      1.00000
     11     -19.6499      1.00000
     12     -19.6187      1.00000
     13     -18.9430      1.00000
     14     -18.9081      1.00000
     15     -18.5836      1.00000
     16     -18.5460      1.00000
     17     -18.3916      1.00000
     18     -17.6016      1.00000
     19     -17.5702      1.00000
     20     -17.5407      1.00000
     21     -17.5080      1.00000
     22     -17.0740      1.00000
     23     -17.0270      1.00000
     24     -16.8996      1.00000
     25     -15.9450      1.00000
     26     -15.8507      1.00000
     27     -15.5329      1.00000
     28     -15.5061      1.00000
     29     -15.2089      1.00000
     30     -14.8135      1.00000
     31     -14.7608      1.00000
     32     -14.5091      1.00000
     33     -14.4674      1.00000
     34     -14.0957      1.00000
     35     -14.0927      1.00000
     36     -13.1044      1.00000
     37     -13.0292      1.00000
     38     -12.9564      1.00000
     39     -12.9491      1.00000
     40     -12.6555      1.00000
     41     -12.6269      1.00000
     42     -12.2737      1.00000
     43     -12.2467      1.00000
     44     -11.5727      1.00000
     45     -11.5532      1.00000
     46     -11.5001      1.00000
     47     -10.8780      1.00000
     48     -10.8686      1.00000
     49     -10.6833      1.00000
     50     -10.5248      1.00000
     51     -10.5203      1.00000
     52     -10.4331      1.00000
     53     -10.4153      1.00000
     54     -10.3697      1.00000
     55     -10.2875      1.00000
     56     -10.0608      1.00000
     57      -9.8315      1.00000
     58      -9.5589      1.00000
     59      -9.4843      1.00000
     60      -9.4449      1.00000
     61      -9.3552      1.00000
     62      -9.3387      1.00000
     63      -9.3073      1.00000
     64      -9.3020      1.00000
     65      -9.2056      1.00000
     66      -9.0991      1.00000
     67      -9.0679      1.00000
     68      -9.0488      1.00000
     69      -8.8517      1.00000
     70      -8.7963      1.00000
     71      -8.7777      1.00000
     72      -8.5266      1.00000
     73      -8.4973      1.00000
     74      -8.2280      1.00000
     75      -8.1292      1.00000
     76      -8.0925      1.00000
     77      -7.8067      1.00000
     78      -7.7672      1.00000
     79      -7.7388      1.00000
     80      -7.7031      1.00000
     81      -7.6351      1.00000
     82      -7.6245      1.00000
     83      -7.3879      1.00000
     84      -7.3442      1.00000
     85      -7.2198      1.00000
     86      -6.8434      1.00000
     87      -6.8201      1.00000
     88      -6.6402      1.00000
     89      -6.5292      1.00000
     90      -6.3410      1.00000
     91      -6.2728      1.00000
     92      -6.1952      1.00000
     93      -6.1315      1.00000
     94      -6.0213      1.00000
     95      -5.6382      1.00000
     96      -5.5086      1.00000
     97      -5.2975      1.00000
     98      -5.1558      1.00000
     99      -5.0403      1.00000
    100      -4.7269      1.00000
    101      -4.6854      1.00000
    102      -4.3679      1.00000
    103      -4.1860      1.00000
    104      -4.0100      1.00000
    105      -3.8299      1.00000
    106      -3.4836      1.00000
    107      -2.1640      0.00000
    108      -1.3830      0.00000
    109      -1.2354      0.00000
    110      -1.1844      0.00000
    111      -1.0137      0.00000
    112      -0.9557      0.00000
    113      -0.7971      0.00000
    114      -0.7518      0.00000
    115      -0.3645      0.00000
    116       0.2454      0.00000
    117       0.2769      0.00000
    118       0.3650      0.00000
    119       0.7022      0.00000
    120       0.8693      0.00000
    121       0.9660      0.00000
    122       1.1284      0.00000
    123       1.2378      0.00000
    124       1.4573      0.00000
    125       1.5589      0.00000
    126       1.7840      0.00000
    127       1.8518      0.00000
    128       1.8845      0.00000
    129       1.9895      0.00000
    130       2.0338      0.00000
    131       2.1993      0.00000
    132       2.2150      0.00000
    133       2.4053      0.00000
    134       2.4552      0.00000
    135       2.5549      0.00000
    136       2.6589      0.00000
    137       2.6853      0.00000
    138       2.7307      0.00000
    139       2.7708      0.00000
    140       2.8581      0.00000
    141       2.9686      0.00000
    142       3.0849      0.00000
    143       3.1909      0.00000
    144       3.2440      0.00000
    145       3.2606      0.00000
    146       3.2986      0.00000
    147       3.3365      0.00000
    148       3.4855      0.00000
    149       3.5128      0.00000
    150       3.7168      0.00000
    151       3.7267      0.00000
    152       3.7712      0.00000
    153       3.8644      0.00000
    154       3.8773      0.00000
    155       3.9017      0.00000
    156       3.9999      0.00000
    157       4.0011      0.00000
    158       4.0551      0.00000
    159       4.0673      0.00000
    160       4.0938      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3193      1.00000
      2     -21.7611      1.00000
      3     -21.5674      1.00000
      4     -21.5401      1.00000
      5     -21.2046      1.00000
      6     -21.1656      1.00000
      7     -20.9853      1.00000
      8     -20.0983      1.00000
      9     -20.0593      1.00000
     10     -19.5458      1.00000
     11     -19.5257      1.00000
     12     -19.3444      1.00000
     13     -19.0277      1.00000
     14     -18.9876      1.00000
     15     -18.9771      1.00000
     16     -18.9714      1.00000
     17     -18.2955      1.00000
     18     -18.2820      1.00000
     19     -17.9459      1.00000
     20     -17.0003      1.00000
     21     -16.9592      1.00000
     22     -16.8822      1.00000
     23     -16.8693      1.00000
     24     -16.4157      1.00000
     25     -16.3927      1.00000
     26     -15.5405      1.00000
     27     -15.5370      1.00000
     28     -15.1725      1.00000
     29     -15.1709      1.00000
     30     -15.1307      1.00000
     31     -15.0359      1.00000
     32     -15.0006      1.00000
     33     -14.6331      1.00000
     34     -14.6260      1.00000
     35     -13.6625      1.00000
     36     -13.6525      1.00000
     37     -13.1707      1.00000
     38     -12.5729      1.00000
     39     -12.5129      1.00000
     40     -12.3853      1.00000
     41     -12.3848      1.00000
     42     -12.0351      1.00000
     43     -12.0309      1.00000
     44     -11.6547      1.00000
     45     -11.6141      1.00000
     46     -11.2064      1.00000
     47     -11.1569      1.00000
     48     -10.9551      1.00000
     49     -10.9419      1.00000
     50     -10.8602      1.00000
     51     -10.8277      1.00000
     52     -10.6258      1.00000
     53     -10.1470      1.00000
     54     -10.0839      1.00000
     55     -10.0248      1.00000
     56      -9.9462      1.00000
     57      -9.6308      1.00000
     58      -9.6293      1.00000
     59      -9.6029      1.00000
     60      -9.5407      1.00000
     61      -9.5026      1.00000
     62      -9.4783      1.00000
     63      -9.2729      1.00000
     64      -9.2350      1.00000
     65      -9.2067      1.00000
     66      -9.1792      1.00000
     67      -9.0619      1.00000
     68      -9.0467      1.00000
     69      -9.0430      1.00000
     70      -8.8766      1.00000
     71      -8.8082      1.00000
     72      -8.5367      1.00000
     73      -8.5329      1.00000
     74      -8.5020      1.00000
     75      -8.0310      1.00000
     76      -7.8322      1.00000
     77      -7.8006      1.00000
     78      -7.7735      1.00000
     79      -7.7028      1.00000
     80      -7.6843      1.00000
     81      -7.4143      1.00000
     82      -7.2872      1.00000
     83      -7.2511      1.00000
     84      -7.2030      1.00000
     85      -7.0822      1.00000
     86      -7.0751      1.00000
     87      -6.9377      1.00000
     88      -6.7116      1.00000
     89      -6.6743      1.00000
     90      -6.6287      1.00000
     91      -6.5569      1.00000
     92      -6.0717      1.00000
     93      -6.0313      1.00000
     94      -6.0012      1.00000
     95      -5.9367      1.00000
     96      -5.8008      1.00000
     97      -5.1828      1.00000
     98      -4.8960      1.00000
     99      -4.7938      1.00000
    100      -4.6106      1.00000
    101      -4.5123      1.00000
    102      -4.1405      1.00000
    103      -4.0919      1.00000
    104      -3.9306      1.00000
    105      -3.9167      1.00000
    106      -3.8289      1.00000
    107      -1.7515      0.00000
    108      -1.6955      0.00000
    109      -1.4100      0.00000
    110      -1.3707      0.00000
    111      -1.2640      0.00000
    112      -1.2358      0.00000
    113      -0.6228      0.00000
    114      -0.5981      0.00000
    115      -0.1900      0.00000
    116       0.0433      0.00000
    117       0.5857      0.00000
    118       0.7410      0.00000
    119       0.8502      0.00000
    120       0.9290      0.00000
    121       1.1677      0.00000
    122       1.2120      0.00000
    123       1.2480      0.00000
    124       1.4217      0.00000
    125       1.6004      0.00000
    126       1.6423      0.00000
    127       1.7066      0.00000
    128       1.8071      0.00000
    129       1.9231      0.00000
    130       1.9403      0.00000
    131       2.1522      0.00000
    132       2.1750      0.00000
    133       2.2628      0.00000
    134       2.3040      0.00000
    135       2.5451      0.00000
    136       2.5629      0.00000
    137       2.6380      0.00000
    138       2.7627      0.00000
    139       2.8127      0.00000
    140       2.8474      0.00000
    141       2.8940      0.00000
    142       2.9460      0.00000
    143       3.0178      0.00000
    144       3.0306      0.00000
    145       3.0921      0.00000
    146       3.3188      0.00000
    147       3.3716      0.00000
    148       3.4183      0.00000
    149       3.4814      0.00000
    150       3.6068      0.00000
    151       3.6582      0.00000
    152       3.6678      0.00000
    153       3.6812      0.00000
    154       3.8965      0.00000
    155       3.9828      0.00000
    156       4.0307      0.00000
    157       4.0764      0.00000
    158       4.2392      0.00000
    159       4.2585      0.00000
    160       4.2730      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1406      1.00000
      2     -22.0477      1.00000
      3     -21.8856      1.00000
      4     -21.3351      1.00000
      5     -20.9763      1.00000
      6     -20.9468      1.00000
      7     -20.4277      1.00000
      8     -20.3956      1.00000
      9     -20.2156      1.00000
     10     -20.2138      1.00000
     11     -19.8874      1.00000
     12     -19.8235      1.00000
     13     -18.8173      1.00000
     14     -18.7464      1.00000
     15     -18.2655      1.00000
     16     -18.2513      1.00000
     17     -18.0798      1.00000
     18     -18.0733      1.00000
     19     -17.7457      1.00000
     20     -17.7297      1.00000
     21     -17.1945      1.00000
     22     -17.1712      1.00000
     23     -17.0885      1.00000
     24     -17.0676      1.00000
     25     -16.0536      1.00000
     26     -15.8081      1.00000
     27     -15.7986      1.00000
     28     -15.7773      1.00000
     29     -15.1589      1.00000
     30     -14.4853      1.00000
     31     -14.4638      1.00000
     32     -14.2039      1.00000
     33     -13.9163      1.00000
     34     -13.8864      1.00000
     35     -13.7587      1.00000
     36     -13.7385      1.00000
     37     -13.5361      1.00000
     38     -13.5100      1.00000
     39     -13.3010      1.00000
     40     -12.5764      1.00000
     41     -12.1010      1.00000
     42     -12.0768      1.00000
     43     -11.9982      1.00000
     44     -11.9505      1.00000
     45     -11.6056      1.00000
     46     -11.5978      1.00000
     47     -11.0844      1.00000
     48     -11.0609      1.00000
     49     -10.7320      1.00000
     50     -10.6642      1.00000
     51     -10.5607      1.00000
     52     -10.1396      1.00000
     53     -10.1349      1.00000
     54     -10.1003      1.00000
     55      -9.9661      1.00000
     56      -9.9251      1.00000
     57      -9.9209      1.00000
     58      -9.7509      1.00000
     59      -9.7288      1.00000
     60      -9.6973      1.00000
     61      -9.6946      1.00000
     62      -9.4013      1.00000
     63      -9.3889      1.00000
     64      -9.0691      1.00000
     65      -8.9823      1.00000
     66      -8.9811      1.00000
     67      -8.9061      1.00000
     68      -8.8117      1.00000
     69      -8.6496      1.00000
     70      -8.6337      1.00000
     71      -8.5489      1.00000
     72      -8.5019      1.00000
     73      -8.4823      1.00000
     74      -8.3942      1.00000
     75      -8.3821      1.00000
     76      -8.2097      1.00000
     77      -8.1022      1.00000
     78      -8.0070      1.00000
     79      -7.9018      1.00000
     80      -7.8433      1.00000
     81      -7.6216      1.00000
     82      -7.5323      1.00000
     83      -7.4571      1.00000
     84      -7.2540      1.00000
     85      -6.9429      1.00000
     86      -6.8689      1.00000
     87      -6.8095      1.00000
     88      -6.4778      1.00000
     89      -6.4687      1.00000
     90      -6.4089      1.00000
     91      -6.3596      1.00000
     92      -6.1926      1.00000
     93      -5.8579      1.00000
     94      -5.7374      1.00000
     95      -5.7110      1.00000
     96      -5.5245      1.00000
     97      -5.3290      1.00000
     98      -5.1721      1.00000
     99      -5.1673      1.00000
    100      -5.1337      1.00000
    101      -4.6961      1.00000
    102      -4.3483      1.00000
    103      -4.2816      1.00000
    104      -4.0304      1.00000
    105      -3.8314      1.00000
    106      -3.2327      1.00000
    107      -2.4047      0.00000
    108      -1.3449      0.00000
    109      -1.2435      0.00000
    110      -1.1529      0.00000
    111      -1.1081      0.00000
    112      -0.5820      0.00000
    113      -0.5213      0.00000
    114      -0.4336      0.00000
    115      -0.2748      0.00000
    116      -0.0697      0.00000
    117      -0.0103      0.00000
    118       0.0600      0.00000
    119       0.5833      0.00000
    120       0.7110      0.00000
    121       0.8113      0.00000
    122       0.9464      0.00000
    123       1.1853      0.00000
    124       1.5127      0.00000
    125       1.6217      0.00000
    126       1.8637      0.00000
    127       2.0067      0.00000
    128       2.0526      0.00000
    129       2.1166      0.00000
    130       2.1553      0.00000
    131       2.2642      0.00000
    132       2.2862      0.00000
    133       2.3490      0.00000
    134       2.4628      0.00000
    135       2.6124      0.00000
    136       2.7032      0.00000
    137       2.8221      0.00000
    138       2.9151      0.00000
    139       2.9434      0.00000
    140       3.0185      0.00000
    141       3.0509      0.00000
    142       3.1590      0.00000
    143       3.1647      0.00000
    144       3.2276      0.00000
    145       3.3003      0.00000
    146       3.3131      0.00000
    147       3.3545      0.00000
    148       3.3746      0.00000
    149       3.4190      0.00000
    150       3.4545      0.00000
    151       3.5670      0.00000
    152       3.6162      0.00000
    153       3.7037      0.00000
    154       3.7283      0.00000
    155       3.8505      0.00000
    156       3.9082      0.00000
    157       3.9335      0.00000
    158       3.9635      0.00000
    159       4.1510      0.00000
    160       4.1854      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2133      1.00000
      2     -22.0080      1.00000
      3     -21.6461      1.00000
      4     -21.6147      1.00000
      5     -20.9097      1.00000
      6     -20.8688      1.00000
      7     -20.5390      1.00000
      8     -20.5063      1.00000
      9     -20.4995      1.00000
     10     -19.9622      1.00000
     11     -19.4406      1.00000
     12     -19.4187      1.00000
     13     -19.2397      1.00000
     14     -19.2325      1.00000
     15     -18.3760      1.00000
     16     -18.3408      1.00000
     17     -17.8586      1.00000
     18     -17.8425      1.00000
     19     -17.6912      1.00000
     20     -17.6551      1.00000
     21     -17.3721      1.00000
     22     -17.3578      1.00000
     23     -17.2671      1.00000
     24     -16.4133      1.00000
     25     -16.3895      1.00000
     26     -15.9045      1.00000
     27     -15.3434      1.00000
     28     -15.3383      1.00000
     29     -15.0310      1.00000
     30     -15.0211      1.00000
     31     -14.7763      1.00000
     32     -14.7740      1.00000
     33     -14.2375      1.00000
     34     -14.1868      1.00000
     35     -13.3876      1.00000
     36     -13.3332      1.00000
     37     -13.1111      1.00000
     38     -13.1028      1.00000
     39     -12.9177      1.00000
     40     -12.9120      1.00000
     41     -12.5453      1.00000
     42     -12.5374      1.00000
     43     -12.1334      1.00000
     44     -11.5137      1.00000
     45     -11.4690      1.00000
     46     -11.2445      1.00000
     47     -11.2128      1.00000
     48     -11.0865      1.00000
     49     -10.7071      1.00000
     50     -10.5954      1.00000
     51     -10.5093      1.00000
     52     -10.2514      1.00000
     53     -10.2471      1.00000
     54     -10.1220      1.00000
     55     -10.0541      1.00000
     56     -10.0384      1.00000
     57      -9.7852      1.00000
     58      -9.6869      1.00000
     59      -9.6732      1.00000
     60      -9.6375      1.00000
     61      -9.6277      1.00000
     62      -9.5853      1.00000
     63      -9.2957      1.00000
     64      -9.2833      1.00000
     65      -9.2528      1.00000
     66      -9.0662      1.00000
     67      -8.8949      1.00000
     68      -8.8835      1.00000
     69      -8.7182      1.00000
     70      -8.5823      1.00000
     71      -8.5258      1.00000
     72      -8.3509      1.00000
     73      -8.3049      1.00000
     74      -8.2433      1.00000
     75      -8.2380      1.00000
     76      -8.1945      1.00000
     77      -8.1810      1.00000
     78      -8.1693      1.00000
     79      -8.1090      1.00000
     80      -7.6899      1.00000
     81      -7.4195      1.00000
     82      -7.3434      1.00000
     83      -7.2578      1.00000
     84      -7.1687      1.00000
     85      -7.1102      1.00000
     86      -7.0040      1.00000
     87      -6.9037      1.00000
     88      -6.8473      1.00000
     89      -6.5417      1.00000
     90      -6.4985      1.00000
     91      -6.2146      1.00000
     92      -6.2014      1.00000
     93      -5.8944      1.00000
     94      -5.6740      1.00000
     95      -5.6087      1.00000
     96      -5.5802      1.00000
     97      -5.2532      1.00000
     98      -5.2311      1.00000
     99      -5.1647      1.00000
    100      -5.1343      1.00000
    101      -4.6003      1.00000
    102      -4.2514      1.00000
    103      -4.0468      1.00000
    104      -3.8842      1.00000
    105      -3.8433      1.00000
    106      -3.8007      1.00000
    107      -1.8076      0.00000
    108      -1.7800      0.00000
    109      -1.2248      0.00000
    110      -1.1754      0.00000
    111      -0.9736      0.00000
    112      -0.7339      0.00000
    113      -0.6499      0.00000
    114      -0.5935      0.00000
    115      -0.5496      0.00000
    116      -0.1510      0.00000
    117       0.1766      0.00000
    118       0.2881      0.00000
    119       0.7070      0.00000
    120       0.9512      0.00000
    121       1.1689      0.00000
    122       1.2783      0.00000
    123       1.3482      0.00000
    124       1.5144      0.00000
    125       1.6095      0.00000
    126       1.6290      0.00000
    127       1.6928      0.00000
    128       1.7752      0.00000
    129       1.8655      0.00000
    130       2.0808      0.00000
    131       2.1686      0.00000
    132       2.3194      0.00000
    133       2.3963      0.00000
    134       2.4247      0.00000
    135       2.5589      0.00000
    136       2.6264      0.00000
    137       2.6881      0.00000
    138       2.7479      0.00000
    139       2.8196      0.00000
    140       2.9099      0.00000
    141       3.0552      0.00000
    142       3.0631      0.00000
    143       3.1862      0.00000
    144       3.2846      0.00000
    145       3.3814      0.00000
    146       3.4173      0.00000
    147       3.4628      0.00000
    148       3.5477      0.00000
    149       3.5773      0.00000
    150       3.6364      0.00000
    151       3.6671      0.00000
    152       3.7018      0.00000
    153       3.7900      0.00000
    154       3.8019      0.00000
    155       3.8270      0.00000
    156       3.8966      0.00000
    157       3.9103      0.00000
    158       3.9837      0.00000
    159       4.1910      0.00000
    160       4.2379      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3559      1.00000
      2     -21.5364      1.00000
      3     -21.4064      1.00000
      4     -21.4055      1.00000
      5     -21.3743      1.00000
      6     -21.3652      1.00000
      7     -21.3579      1.00000
      8     -19.6459      1.00000
      9     -19.5717      1.00000
     10     -19.5646      1.00000
     11     -19.5581      1.00000
     12     -19.5397      1.00000
     13     -19.5368      1.00000
     14     -18.7278      1.00000
     15     -18.6793      1.00000
     16     -18.6717      1.00000
     17     -18.6581      1.00000
     18     -18.6426      1.00000
     19     -18.6408      1.00000
     20     -16.5858      1.00000
     21     -16.5262      1.00000
     22     -16.5236      1.00000
     23     -16.5104      1.00000
     24     -16.4865      1.00000
     25     -16.4846      1.00000
     26     -15.5581      1.00000
     27     -15.5259      1.00000
     28     -15.5250      1.00000
     29     -15.4995      1.00000
     30     -15.4942      1.00000
     31     -15.4884      1.00000
     32     -14.2062      1.00000
     33     -14.1800      1.00000
     34     -14.1668      1.00000
     35     -14.1647      1.00000
     36     -14.1595      1.00000
     37     -14.1481      1.00000
     38     -11.8842      1.00000
     39     -11.8076      1.00000
     40     -11.7920      1.00000
     41     -11.7916      1.00000
     42     -11.7884      1.00000
     43     -11.7827      1.00000
     44     -11.7043      1.00000
     45     -11.6976      1.00000
     46     -11.6724      1.00000
     47     -11.6573      1.00000
     48     -11.6571      1.00000
     49     -11.6501      1.00000
     50     -10.6748      1.00000
     51     -10.3287      1.00000
     52     -10.3209      1.00000
     53     -10.3053      1.00000
     54     -10.3036      1.00000
     55     -10.2905      1.00000
     56     -10.2773      1.00000
     57      -9.9286      1.00000
     58      -9.3726      1.00000
     59      -9.3589      1.00000
     60      -9.2997      1.00000
     61      -9.2915      1.00000
     62      -9.2847      1.00000
     63      -9.0920      1.00000
     64      -9.0539      1.00000
     65      -9.0489      1.00000
     66      -9.0266      1.00000
     67      -9.0065      1.00000
     68      -9.0014      1.00000
     69      -9.0002      1.00000
     70      -8.9947      1.00000
     71      -8.9915      1.00000
     72      -8.9724      1.00000
     73      -8.9645      1.00000
     74      -8.9534      1.00000
     75      -8.5012      1.00000
     76      -7.5155      1.00000
     77      -7.4102      1.00000
     78      -7.4100      1.00000
     79      -7.4011      1.00000
     80      -7.3836      1.00000
     81      -7.3636      1.00000
     82      -7.3412      1.00000
     83      -7.3080      1.00000
     84      -7.2688      1.00000
     85      -7.2062      1.00000
     86      -7.1796      1.00000
     87      -7.1793      1.00000
     88      -7.0750      1.00000
     89      -6.5096      1.00000
     90      -6.4611      1.00000
     91      -6.3548      1.00000
     92      -6.2930      1.00000
     93      -6.2873      1.00000
     94      -6.2860      1.00000
     95      -5.8968      1.00000
     96      -5.8845      1.00000
     97      -5.0507      1.00000
     98      -4.9380      1.00000
     99      -4.5398      1.00000
    100      -4.3401      1.00000
    101      -4.3177      1.00000
    102      -4.3167      1.00000
    103      -4.1152      1.00000
    104      -3.9131      1.00000
    105      -3.9012      1.00000
    106      -3.8352      1.00000
    107      -1.6812      0.00000
    108      -1.6676      0.00000
    109      -1.5367      0.00000
    110      -1.5350      0.00000
    111      -1.5218      0.00000
    112      -1.5088      0.00000
    113      -0.5842      0.00000
    114       0.1343      0.00000
    115       0.2059      0.00000
    116       0.3248      0.00000
    117       0.3269      0.00000
    118       0.3343      0.00000
    119       0.4966      0.00000
    120       0.5978      0.00000
    121       1.2597      0.00000
    122       1.2761      0.00000
    123       1.5310      0.00000
    124       1.7959      0.00000
    125       1.8051      0.00000
    126       1.8085      0.00000
    127       1.8134      0.00000
    128       1.9466      0.00000
    129       1.9819      0.00000
    130       2.0321      0.00000
    131       2.0455      0.00000
    132       2.0507      0.00000
    133       2.0553      0.00000
    134       2.0621      0.00000
    135       2.3098      0.00000
    136       2.3246      0.00000
    137       2.6161      0.00000
    138       2.6240      0.00000
    139       2.6533      0.00000
    140       2.7308      0.00000
    141       2.8632      0.00000
    142       3.0257      0.00000
    143       3.0544      0.00000
    144       3.0872      0.00000
    145       3.1025      0.00000
    146       3.1026      0.00000
    147       3.1039      0.00000
    148       3.2374      0.00000
    149       3.4527      0.00000
    150       3.5410      0.00000
    151       3.7860      0.00000
    152       3.9452      0.00000
    153       3.9496      0.00000
    154       3.9595      0.00000
    155       3.9648      0.00000
    156       3.9984      0.00000
    157       4.1846      0.00000
    158       4.2733      0.00000
    159       4.2892      0.00000
    160       4.2893      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3193      1.00000
      2     -21.7608      1.00000
      3     -21.5701      1.00000
      4     -21.5372      1.00000
      5     -21.2073      1.00000
      6     -21.1623      1.00000
      7     -20.9866      1.00000
      8     -20.1012      1.00000
      9     -20.0570      1.00000
     10     -19.5458      1.00000
     11     -19.5210      1.00000
     12     -19.3486      1.00000
     13     -19.0243      1.00000
     14     -18.9890      1.00000
     15     -18.9809      1.00000
     16     -18.9685      1.00000
     17     -18.2969      1.00000
     18     -18.2775      1.00000
     19     -17.9515      1.00000
     20     -17.0094      1.00000
     21     -16.9591      1.00000
     22     -16.8781      1.00000
     23     -16.8683      1.00000
     24     -16.4044      1.00000
     25     -16.3896      1.00000
     26     -15.5514      1.00000
     27     -15.5354      1.00000
     28     -15.1973      1.00000
     29     -15.1686      1.00000
     30     -15.1143      1.00000
     31     -15.0272      1.00000
     32     -15.0025      1.00000
     33     -14.6358      1.00000
     34     -14.6239      1.00000
     35     -13.6670      1.00000
     36     -13.6515      1.00000
     37     -13.1692      1.00000
     38     -12.5507      1.00000
     39     -12.5174      1.00000
     40     -12.3906      1.00000
     41     -12.3775      1.00000
     42     -12.0571      1.00000
     43     -12.0340      1.00000
     44     -11.6591      1.00000
     45     -11.6165      1.00000
     46     -11.1806      1.00000
     47     -11.1565      1.00000
     48     -10.9649      1.00000
     49     -10.9403      1.00000
     50     -10.8734      1.00000
     51     -10.8368      1.00000
     52     -10.6029      1.00000
     53     -10.0936      1.00000
     54     -10.0884      1.00000
     55     -10.0466      1.00000
     56      -9.9704      1.00000
     57      -9.6541      1.00000
     58      -9.6289      1.00000
     59      -9.5915      1.00000
     60      -9.5293      1.00000
     61      -9.5105      1.00000
     62      -9.4785      1.00000
     63      -9.2645      1.00000
     64      -9.2409      1.00000
     65      -9.2205      1.00000
     66      -9.1657      1.00000
     67      -9.0681      1.00000
     68      -9.0465      1.00000
     69      -9.0404      1.00000
     70      -8.8824      1.00000
     71      -8.8058      1.00000
     72      -8.5787      1.00000
     73      -8.5220      1.00000
     74      -8.4614      1.00000
     75      -8.0350      1.00000
     76      -7.8119      1.00000
     77      -7.8068      1.00000
     78      -7.7923      1.00000
     79      -7.6996      1.00000
     80      -7.6905      1.00000
     81      -7.3645      1.00000
     82      -7.2736      1.00000
     83      -7.2640      1.00000
     84      -7.2159      1.00000
     85      -7.1726      1.00000
     86      -7.0083      1.00000
     87      -6.9470      1.00000
     88      -6.7471      1.00000
     89      -6.6720      1.00000
     90      -6.5938      1.00000
     91      -6.5589      1.00000
     92      -6.0505      1.00000
     93      -6.0474      1.00000
     94      -6.0216      1.00000
     95      -5.9582      1.00000
     96      -5.7362      1.00000
     97      -5.1580      1.00000
     98      -4.9906      1.00000
     99      -4.7187      1.00000
    100      -4.6105      1.00000
    101      -4.4401      1.00000
    102      -4.3740      1.00000
    103      -4.1225      1.00000
    104      -3.8683      1.00000
    105      -3.8350      1.00000
    106      -3.7904      1.00000
    107      -1.7850      0.00000
    108      -1.7382      0.00000
    109      -1.3943      0.00000
    110      -1.3459      0.00000
    111      -1.2638      0.00000
    112      -1.2257      0.00000
    113      -0.7445      0.00000
    114      -0.3787      0.00000
    115      -0.2199      0.00000
    116      -0.0176      0.00000
    117       0.5919      0.00000
    118       0.7372      0.00000
    119       0.7642      0.00000
    120       1.0501      0.00000
    121       1.1417      0.00000
    122       1.2512      0.00000
    123       1.2734      0.00000
    124       1.4157      0.00000
    125       1.4811      0.00000
    126       1.5894      0.00000
    127       1.7588      0.00000
    128       1.8415      0.00000
    129       1.8970      0.00000
    130       1.9600      0.00000
    131       2.1086      0.00000
    132       2.2390      0.00000
    133       2.2510      0.00000
    134       2.2990      0.00000
    135       2.4900      0.00000
    136       2.6185      0.00000
    137       2.6393      0.00000
    138       2.7698      0.00000
    139       2.8031      0.00000
    140       2.8574      0.00000
    141       2.8682      0.00000
    142       2.8931      0.00000
    143       2.9605      0.00000
    144       3.0872      0.00000
    145       3.2834      0.00000
    146       3.3114      0.00000
    147       3.3759      0.00000
    148       3.4091      0.00000
    149       3.4690      0.00000
    150       3.5912      0.00000
    151       3.6394      0.00000
    152       3.6716      0.00000
    153       3.7093      0.00000
    154       3.9098      0.00000
    155       3.9459      0.00000
    156       3.9842      0.00000
    157       4.0897      0.00000
    158       4.2079      0.00000
    159       4.2467      0.00000
    160       4.3004      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2137      1.00000
      2     -22.0074      1.00000
      3     -21.6488      1.00000
      4     -21.6116      1.00000
      5     -20.9126      1.00000
      6     -20.8660      1.00000
      7     -20.5453      1.00000
      8     -20.5057      1.00000
      9     -20.4953      1.00000
     10     -19.9631      1.00000
     11     -19.4420      1.00000
     12     -19.4148      1.00000
     13     -19.2412      1.00000
     14     -19.2266      1.00000
     15     -18.3838      1.00000
     16     -18.3394      1.00000
     17     -17.8597      1.00000
     18     -17.8385      1.00000
     19     -17.6976      1.00000
     20     -17.6548      1.00000
     21     -17.3717      1.00000
     22     -17.3556      1.00000
     23     -17.2739      1.00000
     24     -16.4009      1.00000
     25     -16.3861      1.00000
     26     -15.8961      1.00000
     27     -15.3522      1.00000
     28     -15.3367      1.00000
     29     -15.0344      1.00000
     30     -15.0204      1.00000
     31     -14.7993      1.00000
     32     -14.7744      1.00000
     33     -14.2215      1.00000
     34     -14.1895      1.00000
     35     -13.3706      1.00000
     36     -13.3369      1.00000
     37     -13.1196      1.00000
     38     -13.1020      1.00000
     39     -12.9159      1.00000
     40     -12.9024      1.00000
     41     -12.5565      1.00000
     42     -12.5384      1.00000
     43     -12.1329      1.00000
     44     -11.5219      1.00000
     45     -11.4735      1.00000
     46     -11.2536      1.00000
     47     -11.2194      1.00000
     48     -11.0793      1.00000
     49     -10.6603      1.00000
     50     -10.5884      1.00000
     51     -10.5239      1.00000
     52     -10.2574      1.00000
     53     -10.2486      1.00000
     54     -10.1228      1.00000
     55     -10.0484      1.00000
     56     -10.0408      1.00000
     57      -9.7701      1.00000
     58      -9.7051      1.00000
     59      -9.6797      1.00000
     60      -9.6300      1.00000
     61      -9.6259      1.00000
     62      -9.5874      1.00000
     63      -9.2944      1.00000
     64      -9.2851      1.00000
     65      -9.2530      1.00000
     66      -9.0892      1.00000
     67      -8.8968      1.00000
     68      -8.8828      1.00000
     69      -8.7245      1.00000
     70      -8.5896      1.00000
     71      -8.5139      1.00000
     72      -8.3305      1.00000
     73      -8.3024      1.00000
     74      -8.2644      1.00000
     75      -8.2323      1.00000
     76      -8.1947      1.00000
     77      -8.1856      1.00000
     78      -8.1705      1.00000
     79      -8.1024      1.00000
     80      -7.6883      1.00000
     81      -7.3574      1.00000
     82      -7.3102      1.00000
     83      -7.2643      1.00000
     84      -7.1876      1.00000
     85      -7.1252      1.00000
     86      -7.0767      1.00000
     87      -6.9068      1.00000
     88      -6.8822      1.00000
     89      -6.5491      1.00000
     90      -6.4923      1.00000
     91      -6.2097      1.00000
     92      -6.0702      1.00000
     93      -5.9421      1.00000
     94      -5.7158      1.00000
     95      -5.6329      1.00000
     96      -5.4525      1.00000
     97      -5.3052      1.00000
     98      -5.2338      1.00000
     99      -5.1518      1.00000
    100      -5.1513      1.00000
    101      -4.5237      1.00000
    102      -4.4710      1.00000
    103      -4.1441      1.00000
    104      -3.8380      1.00000
    105      -3.7572      1.00000
    106      -3.6793      1.00000
    107      -1.8707      0.00000
    108      -1.8236      0.00000
    109      -1.2768      0.00000
    110      -1.0359      0.00000
    111      -1.0115      0.00000
    112      -0.7119      0.00000
    113      -0.6397      0.00000
    114      -0.5879      0.00000
    115      -0.5458      0.00000
    116      -0.2012      0.00000
    117       0.2528      0.00000
    118       0.2788      0.00000
    119       0.7624      0.00000
    120       0.9470      0.00000
    121       1.1330      0.00000
    122       1.2272      0.00000
    123       1.3215      0.00000
    124       1.4139      0.00000
    125       1.6028      0.00000
    126       1.6342      0.00000
    127       1.7038      0.00000
    128       1.8254      0.00000
    129       1.9231      0.00000
    130       2.0153      0.00000
    131       2.1092      0.00000
    132       2.3314      0.00000
    133       2.3968      0.00000
    134       2.4350      0.00000
    135       2.5449      0.00000
    136       2.6358      0.00000
    137       2.7568      0.00000
    138       2.8248      0.00000
    139       2.8348      0.00000
    140       2.8889      0.00000
    141       3.0449      0.00000
    142       3.0921      0.00000
    143       3.1900      0.00000
    144       3.2429      0.00000
    145       3.3909      0.00000
    146       3.4246      0.00000
    147       3.4848      0.00000
    148       3.5773      0.00000
    149       3.6044      0.00000
    150       3.6286      0.00000
    151       3.6532      0.00000
    152       3.7443      0.00000
    153       3.7743      0.00000
    154       3.7909      0.00000
    155       3.8089      0.00000
    156       3.9001      0.00000
    157       3.9800      0.00000
    158       4.0143      0.00000
    159       4.1794      0.00000
    160       4.2415      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2475      1.00000
      2     -21.8932      1.00000
      3     -21.8225      1.00000
      4     -21.3112      1.00000
      5     -21.2808      1.00000
      6     -20.7700      1.00000
      7     -20.7040      1.00000
      8     -20.5556      1.00000
      9     -20.0082      1.00000
     10     -20.0009      1.00000
     11     -19.6473      1.00000
     12     -19.6230      1.00000
     13     -18.9289      1.00000
     14     -18.9205      1.00000
     15     -18.5701      1.00000
     16     -18.5561      1.00000
     17     -18.3932      1.00000
     18     -17.6145      1.00000
     19     -17.5581      1.00000
     20     -17.5530      1.00000
     21     -17.5114      1.00000
     22     -17.0554      1.00000
     23     -17.0375      1.00000
     24     -16.8910      1.00000
     25     -15.9292      1.00000
     26     -15.8668      1.00000
     27     -15.5159      1.00000
     28     -15.5149      1.00000
     29     -15.2279      1.00000
     30     -14.7941      1.00000
     31     -14.7666      1.00000
     32     -14.5147      1.00000
     33     -14.4706      1.00000
     34     -14.1013      1.00000
     35     -14.0902      1.00000
     36     -13.0758      1.00000
     37     -13.0324      1.00000
     38     -12.9663      1.00000
     39     -12.9541      1.00000
     40     -12.6447      1.00000
     41     -12.6382      1.00000
     42     -12.2736      1.00000
     43     -12.2422      1.00000
     44     -11.5875      1.00000
     45     -11.5602      1.00000
     46     -11.5058      1.00000
     47     -10.9046      1.00000
     48     -10.8505      1.00000
     49     -10.6217      1.00000
     50     -10.5588      1.00000
     51     -10.4849      1.00000
     52     -10.4332      1.00000
     53     -10.4233      1.00000
     54     -10.3706      1.00000
     55     -10.2932      1.00000
     56     -10.0652      1.00000
     57      -9.8327      1.00000
     58      -9.5478      1.00000
     59      -9.4877      1.00000
     60      -9.4719      1.00000
     61      -9.3458      1.00000
     62      -9.3301      1.00000
     63      -9.3097      1.00000
     64      -9.3078      1.00000
     65      -9.2140      1.00000
     66      -9.1118      1.00000
     67      -9.0804      1.00000
     68      -9.0491      1.00000
     69      -8.8486      1.00000
     70      -8.7925      1.00000
     71      -8.7736      1.00000
     72      -8.5266      1.00000
     73      -8.4755      1.00000
     74      -8.2229      1.00000
     75      -8.1098      1.00000
     76      -8.0989      1.00000
     77      -7.8077      1.00000
     78      -7.7838      1.00000
     79      -7.7813      1.00000
     80      -7.6733      1.00000
     81      -7.6311      1.00000
     82      -7.6300      1.00000
     83      -7.4007      1.00000
     84      -7.3244      1.00000
     85      -7.2003      1.00000
     86      -6.8392      1.00000
     87      -6.8289      1.00000
     88      -6.6626      1.00000
     89      -6.5382      1.00000
     90      -6.3444      1.00000
     91      -6.3074      1.00000
     92      -6.1838      1.00000
     93      -6.1473      1.00000
     94      -5.9772      1.00000
     95      -5.5724      1.00000
     96      -5.4258      1.00000
     97      -5.2584      1.00000
     98      -5.2520      1.00000
     99      -5.1488      1.00000
    100      -4.6956      1.00000
    101      -4.6649      1.00000
    102      -4.3491      1.00000
    103      -4.3166      1.00000
    104      -3.9652      1.00000
    105      -3.8315      1.00000
    106      -3.3891      1.00000
    107      -2.2199      0.00000
    108      -1.3766      0.00000
    109      -1.2862      0.00000
    110      -1.1729      0.00000
    111      -1.0774      0.00000
    112      -0.8935      0.00000
    113      -0.7677      0.00000
    114      -0.7570      0.00000
    115      -0.2168      0.00000
    116       0.1138      0.00000
    117       0.2638      0.00000
    118       0.3461      0.00000
    119       0.7362      0.00000
    120       0.9039      0.00000
    121       0.9723      0.00000
    122       1.0958      0.00000
    123       1.2107      0.00000
    124       1.5309      0.00000
    125       1.5661      0.00000
    126       1.7185      0.00000
    127       1.8391      0.00000
    128       1.8628      0.00000
    129       1.9710      0.00000
    130       2.0026      0.00000
    131       2.1611      0.00000
    132       2.2714      0.00000
    133       2.4588      0.00000
    134       2.4712      0.00000
    135       2.5073      0.00000
    136       2.6665      0.00000
    137       2.6875      0.00000
    138       2.7347      0.00000
    139       2.7465      0.00000
    140       2.8963      0.00000
    141       3.0253      0.00000
    142       3.0857      0.00000
    143       3.1947      0.00000
    144       3.2568      0.00000
    145       3.2619      0.00000
    146       3.2729      0.00000
    147       3.3640      0.00000
    148       3.4857      0.00000
    149       3.5321      0.00000
    150       3.6993      0.00000
    151       3.7625      0.00000
    152       3.7711      0.00000
    153       3.8378      0.00000
    154       3.8836      0.00000
    155       3.9464      0.00000
    156       3.9857      0.00000
    157       4.0245      0.00000
    158       4.0531      0.00000
    159       4.0586      0.00000
    160       4.0914      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1415      1.00000
      2     -22.0463      1.00000
      3     -21.8861      1.00000
      4     -21.3341      1.00000
      5     -20.9813      1.00000
      6     -20.9427      1.00000
      7     -20.4329      1.00000
      8     -20.3902      1.00000
      9     -20.2261      1.00000
     10     -20.2046      1.00000
     11     -19.8886      1.00000
     12     -19.8210      1.00000
     13     -18.8144      1.00000
     14     -18.7433      1.00000
     15     -18.2895      1.00000
     16     -18.2360      1.00000
     17     -18.0854      1.00000
     18     -18.0653      1.00000
     19     -17.7611      1.00000
     20     -17.7187      1.00000
     21     -17.1884      1.00000
     22     -17.1696      1.00000
     23     -17.0992      1.00000
     24     -17.0634      1.00000
     25     -16.0375      1.00000
     26     -15.8225      1.00000
     27     -15.7992      1.00000
     28     -15.7643      1.00000
     29     -15.1734      1.00000
     30     -14.4909      1.00000
     31     -14.4580      1.00000
     32     -14.2175      1.00000
     33     -13.8947      1.00000
     34     -13.8899      1.00000
     35     -13.7556      1.00000
     36     -13.7356      1.00000
     37     -13.5514      1.00000
     38     -13.5027      1.00000
     39     -13.2995      1.00000
     40     -12.5639      1.00000
     41     -12.1251      1.00000
     42     -12.0657      1.00000
     43     -12.0096      1.00000
     44     -11.9512      1.00000
     45     -11.6107      1.00000
     46     -11.5878      1.00000
     47     -11.0852      1.00000
     48     -11.0516      1.00000
     49     -10.7533      1.00000
     50     -10.6637      1.00000
     51     -10.5272      1.00000
     52     -10.1485      1.00000
     53     -10.1380      1.00000
     54     -10.0956      1.00000
     55      -9.9528      1.00000
     56      -9.9475      1.00000
     57      -9.9167      1.00000
     58      -9.7376      1.00000
     59      -9.7308      1.00000
     60      -9.7005      1.00000
     61      -9.6906      1.00000
     62      -9.4298      1.00000
     63      -9.3627      1.00000
     64      -9.0870      1.00000
     65      -9.0064      1.00000
     66      -8.9743      1.00000
     67      -8.8876      1.00000
     68      -8.8109      1.00000
     69      -8.6582      1.00000
     70      -8.6347      1.00000
     71      -8.5790      1.00000
     72      -8.4779      1.00000
     73      -8.4673      1.00000
     74      -8.3979      1.00000
     75      -8.3938      1.00000
     76      -8.1835      1.00000
     77      -8.1144      1.00000
     78      -7.9768      1.00000
     79      -7.9155      1.00000
     80      -7.8467      1.00000
     81      -7.6180      1.00000
     82      -7.5297      1.00000
     83      -7.4689      1.00000
     84      -7.2573      1.00000
     85      -6.9346      1.00000
     86      -6.8574      1.00000
     87      -6.8109      1.00000
     88      -6.5752      1.00000
     89      -6.4668      1.00000
     90      -6.4202      1.00000
     91      -6.3563      1.00000
     92      -6.0525      1.00000
     93      -5.8780      1.00000
     94      -5.7529      1.00000
     95      -5.7213      1.00000
     96      -5.4774      1.00000
     97      -5.3463      1.00000
     98      -5.1800      1.00000
     99      -5.1558      1.00000
    100      -5.1544      1.00000
    101      -4.7077      1.00000
    102      -4.4412      1.00000
    103      -4.2565      1.00000
    104      -3.9969      1.00000
    105      -3.8304      1.00000
    106      -3.1556      1.00000
    107      -2.4627      0.00000
    108      -1.3784      0.00000
    109      -1.2411      0.00000
    110      -1.1458      0.00000
    111      -1.1142      0.00000
    112      -0.5630      0.00000
    113      -0.4344      0.00000
    114      -0.4293      0.00000
    115      -0.3099      0.00000
    116      -0.1897      0.00000
    117       0.0621      0.00000
    118       0.1176      0.00000
    119       0.5405      0.00000
    120       0.6844      0.00000
    121       0.8730      0.00000
    122       0.9702      0.00000
    123       1.1132      0.00000
    124       1.4973      0.00000
    125       1.6641      0.00000
    126       1.8072      0.00000
    127       1.8795      0.00000
    128       2.0960      0.00000
    129       2.1410      0.00000
    130       2.1986      0.00000
    131       2.2161      0.00000
    132       2.3404      0.00000
    133       2.3640      0.00000
    134       2.4892      0.00000
    135       2.5821      0.00000
    136       2.6714      0.00000
    137       2.8807      0.00000
    138       2.9382      0.00000
    139       2.9679      0.00000
    140       2.9960      0.00000
    141       3.0440      0.00000
    142       3.1526      0.00000
    143       3.1826      0.00000
    144       3.2490      0.00000
    145       3.2926      0.00000
    146       3.3340      0.00000
    147       3.3506      0.00000
    148       3.3813      0.00000
    149       3.4172      0.00000
    150       3.4985      0.00000
    151       3.5577      0.00000
    152       3.6365      0.00000
    153       3.6972      0.00000
    154       3.7117      0.00000
    155       3.7296      0.00000
    156       3.9222      0.00000
    157       3.9390      0.00000
    158       4.0619      0.00000
    159       4.0931      0.00000
    160       4.2061      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2473      1.00000
      2     -21.8947      1.00000
      3     -21.8210      1.00000
      4     -21.3158      1.00000
      5     -21.2768      1.00000
      6     -20.7710      1.00000
      7     -20.7020      1.00000
      8     -20.5540      1.00000
      9     -20.0224      1.00000
     10     -19.9899      1.00000
     11     -19.6499      1.00000
     12     -19.6187      1.00000
     13     -18.9430      1.00000
     14     -18.9081      1.00000
     15     -18.5836      1.00000
     16     -18.5460      1.00000
     17     -18.3916      1.00000
     18     -17.6016      1.00000
     19     -17.5702      1.00000
     20     -17.5407      1.00000
     21     -17.5080      1.00000
     22     -17.0740      1.00000
     23     -17.0270      1.00000
     24     -16.8996      1.00000
     25     -15.9450      1.00000
     26     -15.8507      1.00000
     27     -15.5329      1.00000
     28     -15.5061      1.00000
     29     -15.2089      1.00000
     30     -14.8135      1.00000
     31     -14.7608      1.00000
     32     -14.5091      1.00000
     33     -14.4674      1.00000
     34     -14.0957      1.00000
     35     -14.0927      1.00000
     36     -13.1044      1.00000
     37     -13.0292      1.00000
     38     -12.9564      1.00000
     39     -12.9491      1.00000
     40     -12.6555      1.00000
     41     -12.6269      1.00000
     42     -12.2737      1.00000
     43     -12.2467      1.00000
     44     -11.5727      1.00000
     45     -11.5532      1.00000
     46     -11.5001      1.00000
     47     -10.8780      1.00000
     48     -10.8686      1.00000
     49     -10.6833      1.00000
     50     -10.5248      1.00000
     51     -10.5203      1.00000
     52     -10.4331      1.00000
     53     -10.4153      1.00000
     54     -10.3697      1.00000
     55     -10.2875      1.00000
     56     -10.0608      1.00000
     57      -9.8315      1.00000
     58      -9.5589      1.00000
     59      -9.4843      1.00000
     60      -9.4449      1.00000
     61      -9.3552      1.00000
     62      -9.3387      1.00000
     63      -9.3073      1.00000
     64      -9.3020      1.00000
     65      -9.2056      1.00000
     66      -9.0991      1.00000
     67      -9.0679      1.00000
     68      -9.0488      1.00000
     69      -8.8517      1.00000
     70      -8.7963      1.00000
     71      -8.7777      1.00000
     72      -8.5266      1.00000
     73      -8.4973      1.00000
     74      -8.2280      1.00000
     75      -8.1292      1.00000
     76      -8.0925      1.00000
     77      -7.8067      1.00000
     78      -7.7672      1.00000
     79      -7.7388      1.00000
     80      -7.7031      1.00000
     81      -7.6351      1.00000
     82      -7.6245      1.00000
     83      -7.3879      1.00000
     84      -7.3442      1.00000
     85      -7.2198      1.00000
     86      -6.8434      1.00000
     87      -6.8201      1.00000
     88      -6.6402      1.00000
     89      -6.5292      1.00000
     90      -6.3410      1.00000
     91      -6.2728      1.00000
     92      -6.1952      1.00000
     93      -6.1315      1.00000
     94      -6.0213      1.00000
     95      -5.6382      1.00000
     96      -5.5086      1.00000
     97      -5.2975      1.00000
     98      -5.1558      1.00000
     99      -5.0403      1.00000
    100      -4.7269      1.00000
    101      -4.6854      1.00000
    102      -4.3679      1.00000
    103      -4.1860      1.00000
    104      -4.0100      1.00000
    105      -3.8299      1.00000
    106      -3.4836      1.00000
    107      -2.1640      0.00000
    108      -1.3830      0.00000
    109      -1.2354      0.00000
    110      -1.1844      0.00000
    111      -1.0137      0.00000
    112      -0.9557      0.00000
    113      -0.7971      0.00000
    114      -0.7518      0.00000
    115      -0.3645      0.00000
    116       0.2454      0.00000
    117       0.2769      0.00000
    118       0.3650      0.00000
    119       0.7022      0.00000
    120       0.8693      0.00000
    121       0.9660      0.00000
    122       1.1284      0.00000
    123       1.2378      0.00000
    124       1.4573      0.00000
    125       1.5589      0.00000
    126       1.7840      0.00000
    127       1.8518      0.00000
    128       1.8845      0.00000
    129       1.9895      0.00000
    130       2.0338      0.00000
    131       2.1993      0.00000
    132       2.2150      0.00000
    133       2.4053      0.00000
    134       2.4552      0.00000
    135       2.5549      0.00000
    136       2.6589      0.00000
    137       2.6853      0.00000
    138       2.7307      0.00000
    139       2.7708      0.00000
    140       2.8581      0.00000
    141       2.9686      0.00000
    142       3.0849      0.00000
    143       3.1909      0.00000
    144       3.2440      0.00000
    145       3.2606      0.00000
    146       3.2986      0.00000
    147       3.3365      0.00000
    148       3.4855      0.00000
    149       3.5128      0.00000
    150       3.7168      0.00000
    151       3.7267      0.00000
    152       3.7712      0.00000
    153       3.8644      0.00000
    154       3.8773      0.00000
    155       3.9017      0.00000
    156       3.9999      0.00000
    157       4.0011      0.00000
    158       4.0551      0.00000
    159       4.0673      0.00000
    160       4.0939      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3193      1.00000
      2     -21.7611      1.00000
      3     -21.5674      1.00000
      4     -21.5401      1.00000
      5     -21.2046      1.00000
      6     -21.1656      1.00000
      7     -20.9853      1.00000
      8     -20.0983      1.00000
      9     -20.0593      1.00000
     10     -19.5458      1.00000
     11     -19.5257      1.00000
     12     -19.3444      1.00000
     13     -19.0277      1.00000
     14     -18.9876      1.00000
     15     -18.9771      1.00000
     16     -18.9714      1.00000
     17     -18.2955      1.00000
     18     -18.2820      1.00000
     19     -17.9459      1.00000
     20     -17.0003      1.00000
     21     -16.9592      1.00000
     22     -16.8822      1.00000
     23     -16.8693      1.00000
     24     -16.4157      1.00000
     25     -16.3927      1.00000
     26     -15.5405      1.00000
     27     -15.5370      1.00000
     28     -15.1725      1.00000
     29     -15.1709      1.00000
     30     -15.1307      1.00000
     31     -15.0359      1.00000
     32     -15.0006      1.00000
     33     -14.6331      1.00000
     34     -14.6260      1.00000
     35     -13.6625      1.00000
     36     -13.6525      1.00000
     37     -13.1707      1.00000
     38     -12.5729      1.00000
     39     -12.5129      1.00000
     40     -12.3853      1.00000
     41     -12.3848      1.00000
     42     -12.0351      1.00000
     43     -12.0309      1.00000
     44     -11.6547      1.00000
     45     -11.6141      1.00000
     46     -11.2064      1.00000
     47     -11.1569      1.00000
     48     -10.9551      1.00000
     49     -10.9419      1.00000
     50     -10.8602      1.00000
     51     -10.8277      1.00000
     52     -10.6258      1.00000
     53     -10.1470      1.00000
     54     -10.0839      1.00000
     55     -10.0248      1.00000
     56      -9.9462      1.00000
     57      -9.6308      1.00000
     58      -9.6293      1.00000
     59      -9.6029      1.00000
     60      -9.5407      1.00000
     61      -9.5026      1.00000
     62      -9.4783      1.00000
     63      -9.2729      1.00000
     64      -9.2350      1.00000
     65      -9.2067      1.00000
     66      -9.1792      1.00000
     67      -9.0619      1.00000
     68      -9.0467      1.00000
     69      -9.0430      1.00000
     70      -8.8766      1.00000
     71      -8.8082      1.00000
     72      -8.5367      1.00000
     73      -8.5329      1.00000
     74      -8.5020      1.00000
     75      -8.0310      1.00000
     76      -7.8322      1.00000
     77      -7.8006      1.00000
     78      -7.7735      1.00000
     79      -7.7028      1.00000
     80      -7.6843      1.00000
     81      -7.4143      1.00000
     82      -7.2872      1.00000
     83      -7.2511      1.00000
     84      -7.2030      1.00000
     85      -7.0822      1.00000
     86      -7.0751      1.00000
     87      -6.9377      1.00000
     88      -6.7116      1.00000
     89      -6.6743      1.00000
     90      -6.6287      1.00000
     91      -6.5569      1.00000
     92      -6.0717      1.00000
     93      -6.0313      1.00000
     94      -6.0012      1.00000
     95      -5.9367      1.00000
     96      -5.8008      1.00000
     97      -5.1828      1.00000
     98      -4.8960      1.00000
     99      -4.7938      1.00000
    100      -4.6106      1.00000
    101      -4.5123      1.00000
    102      -4.1405      1.00000
    103      -4.0919      1.00000
    104      -3.9306      1.00000
    105      -3.9167      1.00000
    106      -3.8289      1.00000
    107      -1.7515      0.00000
    108      -1.6955      0.00000
    109      -1.4100      0.00000
    110      -1.3707      0.00000
    111      -1.2640      0.00000
    112      -1.2358      0.00000
    113      -0.6228      0.00000
    114      -0.5981      0.00000
    115      -0.1900      0.00000
    116       0.0433      0.00000
    117       0.5857      0.00000
    118       0.7410      0.00000
    119       0.8502      0.00000
    120       0.9290      0.00000
    121       1.1677      0.00000
    122       1.2120      0.00000
    123       1.2480      0.00000
    124       1.4217      0.00000
    125       1.6004      0.00000
    126       1.6423      0.00000
    127       1.7066      0.00000
    128       1.8071      0.00000
    129       1.9231      0.00000
    130       1.9403      0.00000
    131       2.1522      0.00000
    132       2.1750      0.00000
    133       2.2628      0.00000
    134       2.3040      0.00000
    135       2.5451      0.00000
    136       2.5629      0.00000
    137       2.6380      0.00000
    138       2.7627      0.00000
    139       2.8127      0.00000
    140       2.8474      0.00000
    141       2.8940      0.00000
    142       2.9460      0.00000
    143       3.0178      0.00000
    144       3.0306      0.00000
    145       3.0921      0.00000
    146       3.3188      0.00000
    147       3.3716      0.00000
    148       3.4183      0.00000
    149       3.4814      0.00000
    150       3.6068      0.00000
    151       3.6582      0.00000
    152       3.6678      0.00000
    153       3.6812      0.00000
    154       3.8965      0.00000
    155       3.9828      0.00000
    156       4.0307      0.00000
    157       4.0764      0.00000
    158       4.2392      0.00000
    159       4.2585      0.00000
    160       4.2730      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1406      1.00000
      2     -22.0477      1.00000
      3     -21.8856      1.00000
      4     -21.3351      1.00000
      5     -20.9763      1.00000
      6     -20.9468      1.00000
      7     -20.4277      1.00000
      8     -20.3956      1.00000
      9     -20.2156      1.00000
     10     -20.2138      1.00000
     11     -19.8874      1.00000
     12     -19.8235      1.00000
     13     -18.8173      1.00000
     14     -18.7464      1.00000
     15     -18.2655      1.00000
     16     -18.2513      1.00000
     17     -18.0798      1.00000
     18     -18.0733      1.00000
     19     -17.7457      1.00000
     20     -17.7297      1.00000
     21     -17.1945      1.00000
     22     -17.1712      1.00000
     23     -17.0885      1.00000
     24     -17.0676      1.00000
     25     -16.0536      1.00000
     26     -15.8081      1.00000
     27     -15.7986      1.00000
     28     -15.7773      1.00000
     29     -15.1589      1.00000
     30     -14.4853      1.00000
     31     -14.4638      1.00000
     32     -14.2039      1.00000
     33     -13.9163      1.00000
     34     -13.8864      1.00000
     35     -13.7587      1.00000
     36     -13.7385      1.00000
     37     -13.5361      1.00000
     38     -13.5100      1.00000
     39     -13.3010      1.00000
     40     -12.5764      1.00000
     41     -12.1010      1.00000
     42     -12.0768      1.00000
     43     -11.9982      1.00000
     44     -11.9505      1.00000
     45     -11.6056      1.00000
     46     -11.5978      1.00000
     47     -11.0844      1.00000
     48     -11.0609      1.00000
     49     -10.7320      1.00000
     50     -10.6642      1.00000
     51     -10.5607      1.00000
     52     -10.1396      1.00000
     53     -10.1349      1.00000
     54     -10.1003      1.00000
     55      -9.9661      1.00000
     56      -9.9251      1.00000
     57      -9.9209      1.00000
     58      -9.7509      1.00000
     59      -9.7288      1.00000
     60      -9.6973      1.00000
     61      -9.6946      1.00000
     62      -9.4013      1.00000
     63      -9.3889      1.00000
     64      -9.0691      1.00000
     65      -8.9823      1.00000
     66      -8.9811      1.00000
     67      -8.9061      1.00000
     68      -8.8117      1.00000
     69      -8.6496      1.00000
     70      -8.6337      1.00000
     71      -8.5489      1.00000
     72      -8.5019      1.00000
     73      -8.4823      1.00000
     74      -8.3942      1.00000
     75      -8.3821      1.00000
     76      -8.2097      1.00000
     77      -8.1022      1.00000
     78      -8.0070      1.00000
     79      -7.9018      1.00000
     80      -7.8433      1.00000
     81      -7.6216      1.00000
     82      -7.5323      1.00000
     83      -7.4571      1.00000
     84      -7.2540      1.00000
     85      -6.9429      1.00000
     86      -6.8689      1.00000
     87      -6.8095      1.00000
     88      -6.4778      1.00000
     89      -6.4687      1.00000
     90      -6.4089      1.00000
     91      -6.3596      1.00000
     92      -6.1926      1.00000
     93      -5.8579      1.00000
     94      -5.7374      1.00000
     95      -5.7110      1.00000
     96      -5.5245      1.00000
     97      -5.3290      1.00000
     98      -5.1721      1.00000
     99      -5.1673      1.00000
    100      -5.1337      1.00000
    101      -4.6961      1.00000
    102      -4.3483      1.00000
    103      -4.2816      1.00000
    104      -4.0304      1.00000
    105      -3.8314      1.00000
    106      -3.2327      1.00000
    107      -2.4047      0.00000
    108      -1.3449      0.00000
    109      -1.2435      0.00000
    110      -1.1529      0.00000
    111      -1.1081      0.00000
    112      -0.5820      0.00000
    113      -0.5213      0.00000
    114      -0.4336      0.00000
    115      -0.2748      0.00000
    116      -0.0697      0.00000
    117      -0.0103      0.00000
    118       0.0600      0.00000
    119       0.5833      0.00000
    120       0.7110      0.00000
    121       0.8113      0.00000
    122       0.9464      0.00000
    123       1.1853      0.00000
    124       1.5127      0.00000
    125       1.6217      0.00000
    126       1.8637      0.00000
    127       2.0067      0.00000
    128       2.0526      0.00000
    129       2.1166      0.00000
    130       2.1553      0.00000
    131       2.2642      0.00000
    132       2.2862      0.00000
    133       2.3490      0.00000
    134       2.4628      0.00000
    135       2.6124      0.00000
    136       2.7032      0.00000
    137       2.8221      0.00000
    138       2.9151      0.00000
    139       2.9434      0.00000
    140       3.0185      0.00000
    141       3.0509      0.00000
    142       3.1590      0.00000
    143       3.1647      0.00000
    144       3.2276      0.00000
    145       3.3003      0.00000
    146       3.3131      0.00000
    147       3.3545      0.00000
    148       3.3746      0.00000
    149       3.4190      0.00000
    150       3.4545      0.00000
    151       3.5670      0.00000
    152       3.6162      0.00000
    153       3.7037      0.00000
    154       3.7283      0.00000
    155       3.8505      0.00000
    156       3.9082      0.00000
    157       3.9335      0.00000
    158       3.9635      0.00000
    159       4.1510      0.00000
    160       4.1854      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2133      1.00000
      2     -22.0080      1.00000
      3     -21.6461      1.00000
      4     -21.6147      1.00000
      5     -20.9097      1.00000
      6     -20.8688      1.00000
      7     -20.5390      1.00000
      8     -20.5063      1.00000
      9     -20.4995      1.00000
     10     -19.9622      1.00000
     11     -19.4406      1.00000
     12     -19.4187      1.00000
     13     -19.2397      1.00000
     14     -19.2325      1.00000
     15     -18.3760      1.00000
     16     -18.3408      1.00000
     17     -17.8586      1.00000
     18     -17.8425      1.00000
     19     -17.6912      1.00000
     20     -17.6551      1.00000
     21     -17.3721      1.00000
     22     -17.3578      1.00000
     23     -17.2671      1.00000
     24     -16.4133      1.00000
     25     -16.3895      1.00000
     26     -15.9045      1.00000
     27     -15.3434      1.00000
     28     -15.3383      1.00000
     29     -15.0310      1.00000
     30     -15.0211      1.00000
     31     -14.7763      1.00000
     32     -14.7740      1.00000
     33     -14.2375      1.00000
     34     -14.1868      1.00000
     35     -13.3876      1.00000
     36     -13.3332      1.00000
     37     -13.1111      1.00000
     38     -13.1028      1.00000
     39     -12.9177      1.00000
     40     -12.9120      1.00000
     41     -12.5453      1.00000
     42     -12.5374      1.00000
     43     -12.1334      1.00000
     44     -11.5137      1.00000
     45     -11.4690      1.00000
     46     -11.2445      1.00000
     47     -11.2128      1.00000
     48     -11.0865      1.00000
     49     -10.7071      1.00000
     50     -10.5954      1.00000
     51     -10.5093      1.00000
     52     -10.2514      1.00000
     53     -10.2471      1.00000
     54     -10.1220      1.00000
     55     -10.0541      1.00000
     56     -10.0384      1.00000
     57      -9.7852      1.00000
     58      -9.6869      1.00000
     59      -9.6732      1.00000
     60      -9.6375      1.00000
     61      -9.6277      1.00000
     62      -9.5853      1.00000
     63      -9.2957      1.00000
     64      -9.2833      1.00000
     65      -9.2528      1.00000
     66      -9.0662      1.00000
     67      -8.8949      1.00000
     68      -8.8835      1.00000
     69      -8.7182      1.00000
     70      -8.5823      1.00000
     71      -8.5258      1.00000
     72      -8.3509      1.00000
     73      -8.3049      1.00000
     74      -8.2433      1.00000
     75      -8.2380      1.00000
     76      -8.1945      1.00000
     77      -8.1810      1.00000
     78      -8.1693      1.00000
     79      -8.1090      1.00000
     80      -7.6899      1.00000
     81      -7.4195      1.00000
     82      -7.3434      1.00000
     83      -7.2578      1.00000
     84      -7.1687      1.00000
     85      -7.1102      1.00000
     86      -7.0040      1.00000
     87      -6.9037      1.00000
     88      -6.8473      1.00000
     89      -6.5417      1.00000
     90      -6.4985      1.00000
     91      -6.2146      1.00000
     92      -6.2014      1.00000
     93      -5.8944      1.00000
     94      -5.6740      1.00000
     95      -5.6087      1.00000
     96      -5.5802      1.00000
     97      -5.2532      1.00000
     98      -5.2311      1.00000
     99      -5.1647      1.00000
    100      -5.1343      1.00000
    101      -4.6003      1.00000
    102      -4.2514      1.00000
    103      -4.0468      1.00000
    104      -3.8842      1.00000
    105      -3.8433      1.00000
    106      -3.8007      1.00000
    107      -1.8076      0.00000
    108      -1.7800      0.00000
    109      -1.2248      0.00000
    110      -1.1754      0.00000
    111      -0.9736      0.00000
    112      -0.7339      0.00000
    113      -0.6499      0.00000
    114      -0.5935      0.00000
    115      -0.5496      0.00000
    116      -0.1510      0.00000
    117       0.1766      0.00000
    118       0.2881      0.00000
    119       0.7070      0.00000
    120       0.9512      0.00000
    121       1.1689      0.00000
    122       1.2783      0.00000
    123       1.3482      0.00000
    124       1.5144      0.00000
    125       1.6095      0.00000
    126       1.6290      0.00000
    127       1.6928      0.00000
    128       1.7752      0.00000
    129       1.8655      0.00000
    130       2.0808      0.00000
    131       2.1686      0.00000
    132       2.3194      0.00000
    133       2.3963      0.00000
    134       2.4247      0.00000
    135       2.5589      0.00000
    136       2.6264      0.00000
    137       2.6881      0.00000
    138       2.7479      0.00000
    139       2.8196      0.00000
    140       2.9099      0.00000
    141       3.0552      0.00000
    142       3.0631      0.00000
    143       3.1862      0.00000
    144       3.2846      0.00000
    145       3.3814      0.00000
    146       3.4173      0.00000
    147       3.4628      0.00000
    148       3.5477      0.00000
    149       3.5773      0.00000
    150       3.6364      0.00000
    151       3.6671      0.00000
    152       3.7018      0.00000
    153       3.7900      0.00000
    154       3.8019      0.00000
    155       3.8270      0.00000
    156       3.8966      0.00000
    157       3.9103      0.00000
    158       3.9837      0.00000
    159       4.1910      0.00000
    160       4.2379      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0399   -7.2556    3.9847   -1.1327   -0.1857   17.3764    0.4906   -0.8143    0.7718   -0.4772
x    -3.1250   -0.0255   -0.0212   -0.0254    0.0910   -3.0537    0.0298   -0.0244    0.0084    0.0018
x    -0.0954   -0.0029    0.0035   -0.0031    0.0022   -0.0242    0.0000    0.0000   -0.0001    0.0001
x    -0.0035   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0399    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0034    0.0000    0.0004    0.0007    0.0028   -0.0985   -0.0317    0.0620    0.0183
y     0.0233   -3.2428   -0.1783    0.1700   -2.4132   -0.6649
z   204.0399    1.7391    0.2894    0.0891   -0.0013    0.0777   -0.0019    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1048    0.0015   -0.0010   -0.0001    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0013   -0.0001    0.0001    0.0000
z    -0.0001    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  -16.6959
z     0.1385    0.2300   -0.0310    0.0576   -0.0903    0.0006
 total charge-density along one line
x   212.0000  -10.0867    5.9315   -1.9416   -0.4213   19.2955   -0.6586    0.2078    0.0670   -0.1069
x    -2.7050   -0.0092    0.0011   -0.0443    0.0966   -2.3450    0.0473   -0.0345    0.0118    0.0024
x    -0.0855   -0.0054    0.0083   -0.0079    0.0054   -0.0375    0.0000   -0.0001    0.0003   -0.0004
x    -0.0054    0.0000   -0.0002    0.0001    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  -10.0867    5.9315   -1.9416   -0.4213   19.2955   -0.6586    0.2078    0.0670   -0.1069
y    -2.7050   -0.0092    0.0011   -0.0443    0.0966   -2.3450    0.0473   -0.0345    0.0118    0.0024
y    -0.0855   -0.0054    0.0083   -0.0079    0.0054   -0.0375    0.0000   -0.0001    0.0003   -0.0004
y    -0.0054    0.0000   -0.0002    0.0001    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 -205.3081  188.8769 -170.1728  154.0892 -140.4066  126.5000 -111.0191   94.7498  -79.0860
z    64.7213  -51.7875   40.5544  -31.5053   24.7850  -19.8606   15.8620  -12.2151    8.9096   -6.2236
z     4.2923   -2.9597    1.9615   -1.1531    0.5427   -0.1573   -0.0608    0.2213   -0.3836    0.5186
z    -0.5686    0.5252   -0.4414    0.3769   -0.3478    0.3292   -0.2950    0.2452   -0.1976    0.1643
z    -0.1415    0.1197   -0.0959    0.0749   -0.0611    0.0533   -0.0469    0.0391   -0.0314    0.0258
z    -0.0227    0.0203   -0.0173    0.0141   -0.0113    0.0093   -0.0076    0.0058   -0.0043    0.0032
z    -0.0022    0.0013   -0.0004   -0.0002    0.0004   -0.0004    0.0005   -0.0008    0.0009   -0.0007
z     0.0004   -0.0002    0.0001   -0.0001    0.0000    0.0001   -0.0003    0.0003   -0.0004    0.0003
z    -0.0003    0.0003   -0.0002    0.0002   -0.0002    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001
z     0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 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
-10.941   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.269   0.000  -0.101   0.000   0.000   0.239   0.000
  0.041   0.000 -11.246   0.000  -0.024  -0.006   0.000   0.238
  0.000  -0.101   0.000 -11.153   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.938   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.238   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.226   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.199   0.000   0.000   0.000
  0.036   0.000   0.101   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.025   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.941   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.269   0.000  -0.101   0.000   0.000   0.239   0.000
  0.041   0.000 -11.246   0.000  -0.024  -0.006   0.000   0.238
  0.000  -0.101   0.000 -11.153   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.938   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.238   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.226   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.199   0.000   0.000   0.000
  0.036   0.000   0.101   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.025   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.960   0.000  -0.027   0.000   0.002   0.021   0.000   0.057   0.000  -0.014  -0.026   0.025   0.000  -0.001   0.000   0.000
  0.000   1.587   0.000  -0.146   0.000   0.000   0.594   0.000   0.259   0.000   0.000   0.000   0.160   0.000   0.106  -0.035
 -0.027   0.000   1.788   0.000   0.019   0.044   0.000   0.356   0.000  -0.026  -0.233  -0.044   0.000   0.096   0.000   0.000
  0.000  -0.146   0.000   1.755   0.000   0.000   0.259   0.000   0.295   0.000   0.000   0.000   0.108   0.000   0.038   0.005
  0.002   0.000   0.019   0.000   1.966  -0.014   0.000  -0.035   0.000   0.003   0.010  -0.015   0.000   0.003   0.000   0.000
  0.021   0.000   0.044   0.000  -0.014   0.063   0.000   0.101   0.000  -0.024   0.191  -0.052   0.000   0.116   0.000   0.000
  0.000   0.594   0.000   0.259   0.000   0.000   0.329   0.000   0.106   0.000   0.000   0.000   0.056   0.000   0.066  -0.011
  0.057   0.000   0.356   0.000  -0.035   0.101   0.000   0.566   0.000  -0.057   0.703  -0.293   0.000   0.087   0.000   0.000
  0.000   0.259   0.000   0.295   0.000   0.000   0.106   0.000   0.207   0.000   0.000   0.000   0.065   0.000  -0.020  -0.006
 -0.014   0.000  -0.026   0.000   0.003  -0.024   0.000  -0.057   0.000   0.036  -0.109   0.030   0.000  -0.068   0.000   0.000
 -0.026   0.000  -0.233   0.000   0.010   0.191   0.000   0.703   0.000  -0.109   1.352  -0.433   0.000   0.265   0.000   0.000
  0.025   0.000  -0.044   0.000  -0.015  -0.052   0.000  -0.293   0.000   0.030  -0.433   0.193   0.000  -0.034   0.000   0.000
  0.000   0.160   0.000   0.108   0.000   0.000   0.056   0.000   0.065   0.000   0.000   0.000   0.043   0.000   0.012  -0.004
 -0.001   0.000   0.096   0.000   0.003   0.116   0.000   0.087   0.000  -0.068   0.265  -0.034   0.000   0.311   0.000   0.000
  0.000   0.106   0.000   0.038   0.000   0.000   0.066   0.000  -0.020   0.000   0.000   0.000   0.012   0.000   0.031  -0.002
  0.000  -0.035   0.000   0.005   0.000   0.000  -0.011   0.000  -0.006   0.000   0.000   0.000  -0.004   0.000  -0.002   0.001
  0.001   0.000  -0.037   0.000  -0.001  -0.005   0.000  -0.009   0.000   0.003  -0.007   0.000   0.000  -0.014   0.000   0.000
  0.000   0.005   0.000  -0.041   0.000   0.000  -0.006   0.000  -0.004   0.000   0.000   0.000  -0.002   0.000  -0.002   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        0.639   0.278   8.027   8.943
  2        0.514   0.028   0.000   0.542
  3        0.514   0.028   0.000   0.542
  4        0.864   1.783   0.000   2.647
  5        0.864   1.783   0.000   2.646
  6        0.864   1.782   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   1.783   0.000   2.647
 10        0.864   1.784   0.000   2.648
 11        0.863   1.783   0.000   2.646
 12        0.864   1.784   0.000   2.648
 13        0.864   1.783   0.000   2.646
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.863   1.777   0.000   2.640
 17        0.856   1.772   0.000   2.629
 18        0.864   1.784   0.000   2.647
 19        0.864   1.782   0.000   2.646
 20        0.864   1.782   0.000   2.645
 21        0.863   1.781   0.000   2.644
 22        0.863   1.776   0.000   2.639
 23        0.863   1.783   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   1.783   0.000   2.647
 29        0.864   1.783   0.000   2.646
 30        0.864   1.783   0.000   2.647
 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   1.782   0.000   2.646
 35        0.863   1.783   0.000   2.646
 36        0.863   1.776   0.000   2.639
 37        0.863   1.781   0.000   2.644
 38        0.864   1.782   0.000   2.645
 39        0.864   1.784   0.000   2.648
 40        0.864   1.784   0.000   2.647
 41        0.856   1.772   0.000   2.629
 42        0.863   1.777   0.000   2.640
 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   2.646
 46        0.864   1.784   0.000   2.648
 47        0.863   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   1.783   0.000   2.647
 51        0.864   1.784   0.000   2.648
 52        0.864   1.782   0.000   2.646
 53        0.864   1.783   0.000   2.646
------------------------------------------------
tot       44.832  89.435   8.027 142.293
 


 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   90.80: CPU time   45.74
    FORLOC:  VPU time    1.09: CPU time    1.09
    FORNL :  VPU time  367.32: CPU time  184.05
    STRESS:  VPU time 1104.98: CPU time  555.22
    FORCOR:  VPU time    7.44: CPU time    7.43
    FORHAR:  VPU time    1.97: CPU time    1.97
    MIXING:  VPU time    0.13: CPU time    0.13
 d Force = 0.2571108E-06[ 0.262E-06, 0.252E-06]  d Energy = 0.3166097E-06-0.595E-07
 d Force = 0.5278928E-02[ 0.528E-02, 0.528E-02]  d Ewald  =-0.8711604E-02 0.140E-01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.644753 eV

  energy  without entropy=     -471.644753  energy(sigma->0) =     -471.644753
 

  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    40729.59  40746.33 -47430.96     14.49      0.00      0.00
  Hartree  40195.71  40199.51 -39450.12      3.29      0.00      0.00
  E(xc)     -779.74   -779.55   -807.27      0.17      0.00      0.00
  Local   -83218.55 -83232.95  84198.53    -12.48      0.00      0.00
  n-local   -215.77   -215.66   -203.79     -0.16      0.00      0.00
  augment     22.10     20.53     17.35     -1.35      0.00      0.00
  Kinetic   3168.72   3171.42   3582.14     -6.12      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.25     -0.22     -0.19      0.02      0.00      0.00
  in kB       -0.15     -0.13     -0.11      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
    12.347708120  0.001586905  0.000000000     0.080980682  0.046740411  0.000000000
    -6.172486403 10.694218414  0.000000000    -0.000012017  0.093501534  0.000000000
     0.000000000  0.000000000 19.976405671     0.000000000  0.000000000  0.050059055

  length of vectors
    12.347708222 12.347708122 19.976405671     0.093501534  0.093501535  0.050059055


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.416E-05 -.456E-04 -.960E+03   0.435E-05 -.275E-04 0.968E+03   0.547E-23 0.000E+00 -.786E+01   0.252E-07 -.147E-07 0.208E-03
   -.175E+02 -.304E+02 -.136E+03   0.184E+02 0.318E+02 0.139E+03   -.829E+00 -.144E+01 -.258E+01   -.132E-04 -.240E-04 -.487E-05
   0.175E+02 0.304E+02 -.136E+03   -.184E+02 -.318E+02 0.139E+03   0.829E+00 0.144E+01 -.258E+01   0.133E-04 0.240E-04 -.487E-05
   -.197E+01 0.114E+01 0.169E+02   0.198E+01 -.114E+01 -.169E+02   -.875E-02 0.505E-02 -.692E-02   0.100E-03 -.607E-04 0.238E-04
   0.579E+01 0.691E+01 0.196E+02   -.580E+01 -.695E+01 -.196E+02   0.631E-02 0.328E-01 -.208E-01   0.103E-03 -.810E-04 0.200E-04
   0.113E+02 0.504E+01 0.183E+02   -.113E+02 -.505E+01 -.183E+02   0.232E-01 0.888E-02 -.557E-01   0.828E-04 -.417E-04 0.540E-05
   0.453E+01 -.103E+01 0.164E+02   -.455E+01 0.105E+01 -.164E+02   0.201E-01 -.170E-01 -.283E-02   0.862E-04 -.513E-04 0.478E-05
   -.293E+01 -.240E+01 0.149E+02   0.294E+01 0.241E+01 -.149E+02   -.142E-01 -.148E-01 -.255E-02   0.996E-04 -.688E-04 0.161E-04
   0.612E+00 0.373E+01 0.149E+02   -.617E+00 -.375E+01 -.149E+02   0.575E-02 0.197E-01 -.255E-02   0.104E-03 -.579E-04 0.125E-04
   0.274E+01 0.182E+02 0.245E+02   -.275E+01 -.183E+02 -.245E+02   0.101E-01 0.112E+00 -.107E-01   0.991E-04 -.395E-04 -.391E-05
   0.215E+02 0.227E+02 0.400E+02   -.216E+02 -.229E+02 -.400E+02   0.117E+00 0.228E+00 -.146E-01   0.656E-04 -.851E-04 -.623E-04
   0.265E+02 -.450E+01 0.271E+02   -.268E+02 0.462E+01 -.270E+02   0.237E+00 -.120E+00 -.558E-01   0.856E-04 -.720E-04 0.251E-05
   0.916E+01 -.529E+01 0.154E+02   -.918E+01 0.530E+01 -.155E+02   0.190E-01 -.110E-01 0.134E-02   0.118E-03 -.746E-04 0.125E-04
   0.316E+01 -.341E+01 0.164E+02   -.318E+01 0.342E+01 -.164E+02   0.248E-01 -.888E-02 -.283E-02   0.854E-04 -.532E-04 -.363E-05
   -.604E+01 0.132E+02 0.201E+02   0.605E+01 -.133E+02 -.201E+02   -.626E-02 0.756E-01 -.772E-02   0.922E-04 -.497E-04 -.140E-04
   -.123E+02 0.335E+02 0.462E+02   0.124E+02 -.342E+02 -.465E+02   -.904E-01 0.681E+00 0.352E+00   0.142E-03 -.693E-04 -.206E-04
   0.265E+02 -.153E+02 0.696E+02   -.275E+02 0.159E+02 -.717E+02   0.977E+00 -.564E+00 0.210E+01   0.631E-04 -.391E-04 0.522E-04
   0.172E+02 -.207E+02 0.271E+02   -.174E+02 0.209E+02 -.270E+02   0.222E+00 -.145E+00 -.558E-01   0.103E-03 -.457E-04 -.234E-05
   0.126E+01 -.123E+02 0.183E+02   -.127E+01 0.123E+02 -.183E+02   0.389E-02 -.245E-01 -.557E-01   0.805E-04 -.520E-04 -.101E-06
   -.387E+01 0.156E+01 0.144E+02   0.387E+01 -.157E+01 -.143E+02   -.681E-02 0.245E-02 -.404E-01   0.926E-04 -.687E-04 0.467E-05
   -.182E+02 0.105E+02 0.210E+02   0.183E+02 -.106E+02 -.209E+02   -.635E-01 0.366E-01 -.128E+00   0.127E-03 -.699E-04 0.155E-04
   -.352E+02 -.611E+01 0.462E+02   0.358E+02 0.637E+01 -.465E+02   -.635E+00 -.262E+00 0.352E+00   0.134E-03 -.887E-04 -.175E-04
   -.889E+01 -.299E+02 0.400E+02   0.903E+01 0.301E+02 -.400E+02   -.139E+00 -.215E+00 -.146E-01   0.110E-03 -.187E-04 -.641E-04
   -.309E+01 -.847E+01 0.196E+02   0.312E+01 0.849E+01 -.196E+02   -.252E-01 -.219E-01 -.208E-01   0.123E-03 -.507E-04 0.193E-04
   0.126E+01 -.730E+00 0.146E+02   -.126E+01 0.729E+00 -.146E+02   -.165E-02 0.953E-03 -.316E-01   0.106E-03 -.592E-04 0.185E-04
   -.329E+01 0.257E+01 0.144E+02   0.329E+01 -.257E+01 -.143E+02   -.552E-02 0.467E-02 -.404E-01   0.108E-03 -.413E-04 0.942E-05
   -.144E+02 -.136E+01 0.201E+02   0.145E+02 0.139E+01 -.201E+02   -.686E-01 -.324E-01 -.772E-02   0.909E-04 -.565E-04 -.634E-05
   -.144E+02 -.115E+02 0.245E+02   0.145E+02 0.115E+02 -.245E+02   -.916E-01 -.646E-01 -.107E-01   0.855E-04 -.713E-04 -.991E-06
   0.309E+01 0.847E+01 0.196E+02   -.312E+01 -.849E+01 -.196E+02   0.252E-01 0.219E-01 -.208E-01   -.123E-03 0.507E-04 0.193E-04
   0.144E+02 0.115E+02 0.245E+02   -.145E+02 -.115E+02 -.245E+02   0.916E-01 0.646E-01 -.107E-01   -.855E-04 0.713E-04 -.991E-06
   0.144E+02 0.136E+01 0.201E+02   -.145E+02 -.139E+01 -.201E+02   0.686E-01 0.324E-01 -.772E-02   -.910E-04 0.565E-04 -.634E-05
   0.329E+01 -.257E+01 0.144E+02   -.329E+01 0.257E+01 -.143E+02   0.552E-02 -.467E-02 -.404E-01   -.108E-03 0.413E-04 0.942E-05
   -.126E+01 0.730E+00 0.146E+02   0.126E+01 -.729E+00 -.146E+02   0.165E-02 -.953E-03 -.316E-01   -.106E-03 0.592E-04 0.185E-04
   -.126E+01 0.123E+02 0.183E+02   0.127E+01 -.123E+02 -.183E+02   -.389E-02 0.245E-01 -.557E-01   -.805E-04 0.520E-04 -.101E-06
   0.889E+01 0.299E+02 0.400E+02   -.903E+01 -.301E+02 -.400E+02   0.139E+00 0.215E+00 -.146E-01   -.110E-03 0.187E-04 -.641E-04
   0.352E+02 0.611E+01 0.462E+02   -.358E+02 -.637E+01 -.465E+02   0.635E+00 0.262E+00 0.352E+00   -.134E-03 0.887E-04 -.175E-04
   0.182E+02 -.105E+02 0.210E+02   -.183E+02 0.106E+02 -.209E+02   0.635E-01 -.366E-01 -.128E+00   -.127E-03 0.699E-04 0.155E-04
   0.387E+01 -.156E+01 0.144E+02   -.387E+01 0.157E+01 -.143E+02   0.681E-02 -.245E-02 -.404E-01   -.926E-04 0.687E-04 0.467E-05
   -.316E+01 0.341E+01 0.164E+02   0.318E+01 -.342E+01 -.164E+02   -.248E-01 0.888E-02 -.283E-02   -.854E-04 0.532E-04 -.363E-05
   -.172E+02 0.207E+02 0.271E+02   0.174E+02 -.209E+02 -.270E+02   -.222E+00 0.145E+00 -.558E-01   -.103E-03 0.457E-04 -.234E-05
   -.265E+02 0.153E+02 0.696E+02   0.275E+02 -.159E+02 -.717E+02   -.977E+00 0.564E+00 0.210E+01   -.631E-04 0.391E-04 0.522E-04
   0.123E+02 -.335E+02 0.462E+02   -.124E+02 0.342E+02 -.465E+02   0.904E-01 -.681E+00 0.352E+00   -.142E-03 0.693E-04 -.206E-04
   0.604E+01 -.132E+02 0.201E+02   -.605E+01 0.133E+02 -.201E+02   0.626E-02 -.756E-01 -.772E-02   -.922E-04 0.498E-04 -.140E-04
   -.612E+00 -.373E+01 0.149E+02   0.617E+00 0.375E+01 -.149E+02   -.575E-02 -.197E-01 -.255E-02   -.104E-03 0.579E-04 0.125E-04
   -.916E+01 0.529E+01 0.154E+02   0.918E+01 -.530E+01 -.155E+02   -.190E-01 0.110E-01 0.134E-02   -.118E-03 0.746E-04 0.125E-04
   -.265E+02 0.450E+01 0.271E+02   0.268E+02 -.462E+01 -.270E+02   -.237E+00 0.120E+00 -.558E-01   -.856E-04 0.720E-04 0.251E-05
   -.215E+02 -.227E+02 0.400E+02   0.216E+02 0.229E+02 -.400E+02   -.117E+00 -.228E+00 -.146E-01   -.656E-04 0.851E-04 -.623E-04
   -.274E+01 -.182E+02 0.245E+02   0.275E+01 0.183E+02 -.245E+02   -.101E-01 -.112E+00 -.107E-01   -.991E-04 0.395E-04 -.391E-05
   0.197E+01 -.114E+01 0.169E+02   -.198E+01 0.114E+01 -.169E+02   0.875E-02 -.505E-02 -.692E-02   -.100E-03 0.607E-04 0.238E-04
   0.293E+01 0.240E+01 0.149E+02   -.294E+01 -.241E+01 -.149E+02   0.142E-01 0.148E-01 -.255E-02   -.996E-04 0.688E-04 0.161E-04
   -.453E+01 0.103E+01 0.164E+02   0.455E+01 -.105E+01 -.164E+02   -.201E-01 0.170E-01 -.283E-02   -.862E-04 0.513E-04 0.478E-05
   -.113E+02 -.504E+01 0.183E+02   0.113E+02 0.505E+01 -.183E+02   -.232E-01 -.888E-02 -.557E-01   -.828E-04 0.417E-04 0.540E-05
   -.579E+01 -.691E+01 0.196E+02   0.580E+01 0.695E+01 -.196E+02   -.631E-02 -.328E-01 -.208E-01   -.103E-03 0.810E-04 0.200E-04
 -----------------------------------------------------------------------------------------------
   -.182E-02 0.307E-03 0.858E+01   0.585E-12 -.339E-12 0.220E-12   0.479E-15 -.104E-15 -.859E+01   0.235E-07 -.137E-07 0.240E-03
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85293      6.06075     12.33227         0.000000      0.000000      0.010444
      2.26015      6.76608     13.65161         0.005800      0.010046      0.013118
      1.44571      5.35541     13.65161        -0.005800     -0.010046      0.013118
      0.00054     -0.00031      9.95768         0.000699     -0.000404     -0.003422
     11.11240      2.13927      9.95949         0.000716     -0.002205     -0.004078
      9.87689      4.27879      9.97099        -0.002472      0.000239     -0.001303
      8.64350      6.41814      9.96991        -0.000614      0.001191     -0.000129
     -4.93638      8.55547      9.96578         0.000224     -0.000463     -0.002230
      2.47026     -0.00112      9.96578         0.000513      0.000038     -0.002230
      1.23471      2.13600      9.97071         0.001285      0.003488     -0.002333
     -0.00401      4.27488      9.99868         0.000448     -0.003465      0.003564
     -1.23853      6.41598     10.00466         0.000074     -0.001629      0.002406
     -2.46725      8.55500      9.97820         0.002812     -0.001624     -0.000913
      4.93871      0.00124      9.96991        -0.001339     -0.000063     -0.000129
      3.70496      2.13641      9.97770        -0.001575      0.002117      0.001985
      2.47074      4.26299     10.04229         0.002591      0.000794      0.002305
      1.22831      6.42137     10.11469         0.003558     -0.002054     -0.008332
     -0.00044      8.56041     10.00466         0.001448      0.000750      0.002406
      7.40813      0.00277      9.97099        -0.001443      0.002021     -0.001303
      6.17355      2.14002      9.97107        -0.000380     -0.000965     -0.000955
      4.94044      4.27817      9.99907         0.001727     -0.000997     -0.001408
      3.71874      6.42458     10.04229         0.000608     -0.002641      0.002305
      2.47107      8.56184      9.99868         0.003225      0.001344      0.003564
      9.87877      0.00255      9.95949         0.002268      0.000482     -0.004078
      8.64286      2.14058      9.96228         0.000330     -0.000190     -0.002729
      7.40869      4.27934      9.97107         0.000646      0.000812     -0.000955
      6.17752      6.41901      9.97770        -0.002621      0.000306      0.001985
      4.94275      8.55851      9.97071        -0.002378     -0.002857     -0.002333
     -0.00042      1.42472      9.95949        -0.002268     -0.000482     -0.004078
     -1.23689      3.56298      9.97071         0.002378      0.002857     -0.002333
     -2.47166      5.70248      9.97770         0.002621     -0.000306      0.001985
     -3.70282      7.84215      9.97107        -0.000646     -0.000812     -0.000955
     -4.93700      9.98091      9.96228        -0.000330      0.000190     -0.002729
      2.47022      1.42450      9.97099         0.001443     -0.002021     -0.001303
      1.23480      3.55965      9.99868        -0.003225     -0.001344      0.003564
     -0.01287      5.69691     10.04229        -0.000608      0.002641      0.002305
     -1.23457      7.84332      9.99907        -0.001727      0.000997     -0.001408
     -2.46769      9.98147      9.97107         0.000380      0.000965     -0.000955
      4.93964      1.42603      9.96991         0.001339      0.000063     -0.000129
      3.70630      3.56108     10.00466        -0.001448     -0.000750      0.002406
      2.47755      5.70012     10.11469        -0.003558      0.002054     -0.008332
      1.23512      7.85850     10.04229        -0.002591     -0.000794      0.002305
      0.00090      9.98508      9.97770         0.001575     -0.002117      0.001985
      7.40809      1.42840      9.96578        -0.000513     -0.000038     -0.002230
      6.17312      3.56649      9.97820        -0.002812      0.001624     -0.000913
      4.94439      5.70551     10.00466        -0.000074      0.001629      0.002406
      3.70987      7.84661      9.99868        -0.000448      0.003465      0.003564
      2.47115      9.98549      9.97071        -0.001285     -0.003488     -0.002333
      9.87781      1.42758      9.95768        -0.000699      0.000404     -0.003422
      8.64224      3.56602      9.96578        -0.000224      0.000463     -0.002230
      7.41007      5.70494      9.96991         0.000614     -0.001191     -0.000129
      6.17668      7.84428      9.97099         0.002472     -0.000239     -0.001303
      4.94117      9.98380      9.95949        -0.000716      0.002205     -0.004078
 -----------------------------------------------------------------------------------
    total drift:                               -0.001815      0.000307     -0.012697


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




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


    WAVPRE:  VPU time    1.68: 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  151.69: CPU time   75.90
     LOOP+:  VPU time 3989.97: CPU time 2042.93


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


    POTLOK:  VPU time    7.88: CPU time    7.76
    SETDIJ:  VPU time    0.28: CPU time    0.29
    EDDAV :  VPU time 1063.70: CPU time  543.15
 BZINTS: Fermi energy: -3.151766;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   90.93: CPU time   45.77
    MIXING:  VPU time    0.13: CPU time    0.12
    ------------------------------------------
      LOOP:  VPU time 1162.99: CPU time  597.13

 eigenvalue-minimisations  :  3752
 total energy-change (2. order) :-0.4716448E+03  (-0.4338336E-07)
 number of electron  212.0000029 magnetization    0.0000000
 augmentation part     7.9600541 magnetization   -0.0000001

 Broyden mixing:
  rms(total) = 0.38643E-04    rms(broyden)= 0.38634E-04
  rms(prec ) = 0.41397E-04
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34044.98345278
  -1/2 Hartree   DENC   =    -40945.09119046
  -V(xc)+E(xc)   XCENC  =       726.60847034
  PAW double counting   =      4092.87118625    -4131.25584316
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.20068217
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64475282 eV

  energy without entropy =     -471.64475282  energy(sigma->0) =     -471.64475282


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




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


    POTLOK:  VPU time    7.75: CPU time    7.76
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1051.48: CPU time  536.50
 BZINTS: Fermi energy: -3.151656;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1059.58: CPU time  544.57

 eigenvalue-minimisations  :  3680
 total energy-change (2. order) :-0.3977948E-07  (-0.4100663E-08)
 number of electron  212.0000029 magnetization    0.0000000
 augmentation part     7.9600541 magnetization   -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34044.98345278
  -1/2 Hartree   DENC   =    -40945.09214057
  -V(xc)+E(xc)   XCENC  =       726.60848932
  PAW double counting   =      4092.87165646    -4131.25630788
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.19975658
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64475286 eV

  energy without entropy =     -471.64475286  energy(sigma->0) =     -471.64475286


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




 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 -58.5416       2 -39.9851       3 -39.9851       4 -58.2440       5 -58.2485
       6 -58.2557       7 -58.2466       8 -58.2447       9 -58.2447      10 -58.2606
      11 -58.3154      12 -58.2923      13 -58.2497      14 -58.2466      15 -58.2575
      16 -58.4378      17 -58.7319      18 -58.2923      19 -58.2557      20 -58.2501
      21 -58.2772      22 -58.4379      23 -58.3154      24 -58.2485      25 -58.2434
      26 -58.2501      27 -58.2575      28 -58.2606      29 -58.2484      30 -58.2605
      31 -58.2574      32 -58.2500      33 -58.2433      34 -58.2556      35 -58.3153
      36 -58.4378      37 -58.2772      38 -58.2500      39 -58.2464      40 -58.2921
      41 -58.7318      42 -58.4378      43 -58.2574      44 -58.2446      45 -58.2496
      46 -58.2922      47 -58.3153      48 -58.2605      49 -58.2439      50 -58.2446
      51 -58.2464      52 -58.2556      53 -58.2484
 
 
 
 E-fermi :  -3.1517     XC(G=0):  -2.3399     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     -22.3559      1.00000
      2     -21.5364      1.00000
      3     -21.4064      1.00000
      4     -21.4055      1.00000
      5     -21.3743      1.00000
      6     -21.3652      1.00000
      7     -21.3579      1.00000
      8     -19.6459      1.00000
      9     -19.5717      1.00000
     10     -19.5646      1.00000
     11     -19.5581      1.00000
     12     -19.5397      1.00000
     13     -19.5368      1.00000
     14     -18.7278      1.00000
     15     -18.6793      1.00000
     16     -18.6717      1.00000
     17     -18.6581      1.00000
     18     -18.6426      1.00000
     19     -18.6408      1.00000
     20     -16.5857      1.00000
     21     -16.5262      1.00000
     22     -16.5236      1.00000
     23     -16.5104      1.00000
     24     -16.4865      1.00000
     25     -16.4846      1.00000
     26     -15.5581      1.00000
     27     -15.5259      1.00000
     28     -15.5250      1.00000
     29     -15.4995      1.00000
     30     -15.4942      1.00000
     31     -15.4884      1.00000
     32     -14.2062      1.00000
     33     -14.1800      1.00000
     34     -14.1668      1.00000
     35     -14.1646      1.00000
     36     -14.1595      1.00000
     37     -14.1481      1.00000
     38     -11.8842      1.00000
     39     -11.8076      1.00000
     40     -11.7919      1.00000
     41     -11.7915      1.00000
     42     -11.7883      1.00000
     43     -11.7827      1.00000
     44     -11.7043      1.00000
     45     -11.6976      1.00000
     46     -11.6724      1.00000
     47     -11.6572      1.00000
     48     -11.6571      1.00000
     49     -11.6502      1.00000
     50     -10.6748      1.00000
     51     -10.3287      1.00000
     52     -10.3209      1.00000
     53     -10.3053      1.00000
     54     -10.3036      1.00000
     55     -10.2905      1.00000
     56     -10.2773      1.00000
     57      -9.9286      1.00000
     58      -9.3726      1.00000
     59      -9.3589      1.00000
     60      -9.2997      1.00000
     61      -9.2915      1.00000
     62      -9.2846      1.00000
     63      -9.0920      1.00000
     64      -9.0539      1.00000
     65      -9.0489      1.00000
     66      -9.0266      1.00000
     67      -9.0065      1.00000
     68      -9.0014      1.00000
     69      -9.0002      1.00000
     70      -8.9947      1.00000
     71      -8.9915      1.00000
     72      -8.9725      1.00000
     73      -8.9644      1.00000
     74      -8.9534      1.00000
     75      -8.5012      1.00000
     76      -7.5155      1.00000
     77      -7.4102      1.00000
     78      -7.4100      1.00000
     79      -7.4011      1.00000
     80      -7.3836      1.00000
     81      -7.3636      1.00000
     82      -7.3412      1.00000
     83      -7.3079      1.00000
     84      -7.2688      1.00000
     85      -7.2062      1.00000
     86      -7.1796      1.00000
     87      -7.1793      1.00000
     88      -7.0750      1.00000
     89      -6.5096      1.00000
     90      -6.4611      1.00000
     91      -6.3548      1.00000
     92      -6.2930      1.00000
     93      -6.2873      1.00000
     94      -6.2860      1.00000
     95      -5.8968      1.00000
     96      -5.8845      1.00000
     97      -5.0507      1.00000
     98      -4.9380      1.00000
     99      -4.5398      1.00000
    100      -4.3401      1.00000
    101      -4.3177      1.00000
    102      -4.3167      1.00000
    103      -4.1152      1.00000
    104      -3.9131      1.00000
    105      -3.9012      1.00000
    106      -3.8352      1.00000
    107      -1.6812      0.00000
    108      -1.6676      0.00000
    109      -1.5367      0.00000
    110      -1.5350      0.00000
    111      -1.5218      0.00000
    112      -1.5088      0.00000
    113      -0.5842      0.00000
    114       0.1342      0.00000
    115       0.2059      0.00000
    116       0.3248      0.00000
    117       0.3270      0.00000
    118       0.3343      0.00000
    119       0.4966      0.00000
    120       0.5981      0.00000
    121       1.2597      0.00000
    122       1.2763      0.00000
    123       1.5317      0.00000
    124       1.7959      0.00000
    125       1.8053      0.00000
    126       1.8087      0.00000
    127       1.8137      0.00000
    128       1.9466      0.00000
    129       1.9822      0.00000
    130       2.0321      0.00000
    131       2.0455      0.00000
    132       2.0508      0.00000
    133       2.0554      0.00000
    134       2.0623      0.00000
    135       2.3102      0.00000
    136       2.3250      0.00000
    137       2.6169      0.00000
    138       2.6246      0.00000
    139       2.6541      0.00000
    140       2.7321      0.00000
    141       2.8636      0.00000
    142       3.0259      0.00000
    143       3.0542      0.00000
    144       3.0882      0.00000
    145       3.1025      0.00000
    146       3.1032      0.00000
    147       3.1043      0.00000
    148       3.2384      0.00000
    149       3.4532      0.00000
    150       3.5415      0.00000
    151       3.7868      0.00000
    152       3.9458      0.00000
    153       3.9516      0.00000
    154       3.9607      0.00000
    155       3.9667      0.00000
    156       3.9989      0.00000
    157       4.1850      0.00000
    158       4.2737      0.00000
    159       4.2894      0.00000
    160       4.2895      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3193      1.00000
      2     -21.7608      1.00000
      3     -21.5701      1.00000
      4     -21.5372      1.00000
      5     -21.2073      1.00000
      6     -21.1622      1.00000
      7     -20.9866      1.00000
      8     -20.1012      1.00000
      9     -20.0570      1.00000
     10     -19.5458      1.00000
     11     -19.5210      1.00000
     12     -19.3486      1.00000
     13     -19.0243      1.00000
     14     -18.9890      1.00000
     15     -18.9809      1.00000
     16     -18.9685      1.00000
     17     -18.2969      1.00000
     18     -18.2775      1.00000
     19     -17.9515      1.00000
     20     -17.0093      1.00000
     21     -16.9590      1.00000
     22     -16.8781      1.00000
     23     -16.8683      1.00000
     24     -16.4044      1.00000
     25     -16.3896      1.00000
     26     -15.5514      1.00000
     27     -15.5354      1.00000
     28     -15.1973      1.00000
     29     -15.1686      1.00000
     30     -15.1142      1.00000
     31     -15.0271      1.00000
     32     -15.0025      1.00000
     33     -14.6358      1.00000
     34     -14.6239      1.00000
     35     -13.6670      1.00000
     36     -13.6515      1.00000
     37     -13.1692      1.00000
     38     -12.5507      1.00000
     39     -12.5174      1.00000
     40     -12.3906      1.00000
     41     -12.3774      1.00000
     42     -12.0571      1.00000
     43     -12.0340      1.00000
     44     -11.6591      1.00000
     45     -11.6166      1.00000
     46     -11.1806      1.00000
     47     -11.1565      1.00000
     48     -10.9649      1.00000
     49     -10.9403      1.00000
     50     -10.8734      1.00000
     51     -10.8368      1.00000
     52     -10.6029      1.00000
     53     -10.0937      1.00000
     54     -10.0883      1.00000
     55     -10.0466      1.00000
     56      -9.9704      1.00000
     57      -9.6541      1.00000
     58      -9.6289      1.00000
     59      -9.5915      1.00000
     60      -9.5292      1.00000
     61      -9.5105      1.00000
     62      -9.4785      1.00000
     63      -9.2645      1.00000
     64      -9.2408      1.00000
     65      -9.2205      1.00000
     66      -9.1657      1.00000
     67      -9.0680      1.00000
     68      -9.0464      1.00000
     69      -9.0404      1.00000
     70      -8.8824      1.00000
     71      -8.8058      1.00000
     72      -8.5787      1.00000
     73      -8.5220      1.00000
     74      -8.4614      1.00000
     75      -8.0349      1.00000
     76      -7.8119      1.00000
     77      -7.8068      1.00000
     78      -7.7923      1.00000
     79      -7.6996      1.00000
     80      -7.6905      1.00000
     81      -7.3644      1.00000
     82      -7.2736      1.00000
     83      -7.2640      1.00000
     84      -7.2159      1.00000
     85      -7.1726      1.00000
     86      -7.0083      1.00000
     87      -6.9470      1.00000
     88      -6.7471      1.00000
     89      -6.6720      1.00000
     90      -6.5938      1.00000
     91      -6.5589      1.00000
     92      -6.0504      1.00000
     93      -6.0474      1.00000
     94      -6.0216      1.00000
     95      -5.9582      1.00000
     96      -5.7362      1.00000
     97      -5.1580      1.00000
     98      -4.9905      1.00000
     99      -4.7187      1.00000
    100      -4.6105      1.00000
    101      -4.4401      1.00000
    102      -4.3740      1.00000
    103      -4.1225      1.00000
    104      -3.8683      1.00000
    105      -3.8350      1.00000
    106      -3.7904      1.00000
    107      -1.7850      0.00000
    108      -1.7382      0.00000
    109      -1.3943      0.00000
    110      -1.3459      0.00000
    111      -1.2638      0.00000
    112      -1.2257      0.00000
    113      -0.7445      0.00000
    114      -0.3787      0.00000
    115      -0.2199      0.00000
    116      -0.0176      0.00000
    117       0.5921      0.00000
    118       0.7372      0.00000
    119       0.7642      0.00000
    120       1.0501      0.00000
    121       1.1417      0.00000
    122       1.2513      0.00000
    123       1.2735      0.00000
    124       1.4159      0.00000
    125       1.4813      0.00000
    126       1.5900      0.00000
    127       1.7589      0.00000
    128       1.8417      0.00000
    129       1.8971      0.00000
    130       1.9601      0.00000
    131       2.1087      0.00000
    132       2.2394      0.00000
    133       2.2512      0.00000
    134       2.2996      0.00000
    135       2.4905      0.00000
    136       2.6194      0.00000
    137       2.6397      0.00000
    138       2.7702      0.00000
    139       2.8041      0.00000
    140       2.8576      0.00000
    141       2.8684      0.00000
    142       2.8932      0.00000
    143       2.9606      0.00000
    144       3.0879      0.00000
    145       3.2838      0.00000
    146       3.3120      0.00000
    147       3.3764      0.00000
    148       3.4093      0.00000
    149       3.4697      0.00000
    150       3.5922      0.00000
    151       3.6400      0.00000
    152       3.6724      0.00000
    153       3.7100      0.00000
    154       3.9107      0.00000
    155       3.9465      0.00000
    156       3.9846      0.00000
    157       4.0903      0.00000
    158       4.2087      0.00000
    159       4.2477      0.00000
    160       4.3008      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2137      1.00000
      2     -22.0074      1.00000
      3     -21.6488      1.00000
      4     -21.6116      1.00000
      5     -20.9126      1.00000
      6     -20.8660      1.00000
      7     -20.5453      1.00000
      8     -20.5057      1.00000
      9     -20.4953      1.00000
     10     -19.9631      1.00000
     11     -19.4420      1.00000
     12     -19.4148      1.00000
     13     -19.2412      1.00000
     14     -19.2266      1.00000
     15     -18.3837      1.00000
     16     -18.3394      1.00000
     17     -17.8597      1.00000
     18     -17.8385      1.00000
     19     -17.6975      1.00000
     20     -17.6548      1.00000
     21     -17.3717      1.00000
     22     -17.3556      1.00000
     23     -17.2739      1.00000
     24     -16.4009      1.00000
     25     -16.3861      1.00000
     26     -15.8961      1.00000
     27     -15.3522      1.00000
     28     -15.3367      1.00000
     29     -15.0344      1.00000
     30     -15.0204      1.00000
     31     -14.7993      1.00000
     32     -14.7744      1.00000
     33     -14.2215      1.00000
     34     -14.1895      1.00000
     35     -13.3706      1.00000
     36     -13.3369      1.00000
     37     -13.1196      1.00000
     38     -13.1020      1.00000
     39     -12.9159      1.00000
     40     -12.9023      1.00000
     41     -12.5565      1.00000
     42     -12.5384      1.00000
     43     -12.1328      1.00000
     44     -11.5219      1.00000
     45     -11.4735      1.00000
     46     -11.2536      1.00000
     47     -11.2195      1.00000
     48     -11.0793      1.00000
     49     -10.6603      1.00000
     50     -10.5884      1.00000
     51     -10.5239      1.00000
     52     -10.2574      1.00000
     53     -10.2486      1.00000
     54     -10.1228      1.00000
     55     -10.0484      1.00000
     56     -10.0408      1.00000
     57      -9.7701      1.00000
     58      -9.7051      1.00000
     59      -9.6797      1.00000
     60      -9.6301      1.00000
     61      -9.6258      1.00000
     62      -9.5874      1.00000
     63      -9.2944      1.00000
     64      -9.2851      1.00000
     65      -9.2531      1.00000
     66      -9.0892      1.00000
     67      -8.8968      1.00000
     68      -8.8828      1.00000
     69      -8.7245      1.00000
     70      -8.5896      1.00000
     71      -8.5139      1.00000
     72      -8.3305      1.00000
     73      -8.3024      1.00000
     74      -8.2644      1.00000
     75      -8.2323      1.00000
     76      -8.1947      1.00000
     77      -8.1856      1.00000
     78      -8.1705      1.00000
     79      -8.1024      1.00000
     80      -7.6883      1.00000
     81      -7.3573      1.00000
     82      -7.3101      1.00000
     83      -7.2643      1.00000
     84      -7.1876      1.00000
     85      -7.1252      1.00000
     86      -7.0767      1.00000
     87      -6.9068      1.00000
     88      -6.8822      1.00000
     89      -6.5491      1.00000
     90      -6.4923      1.00000
     91      -6.2097      1.00000
     92      -6.0702      1.00000
     93      -5.9421      1.00000
     94      -5.7158      1.00000
     95      -5.6329      1.00000
     96      -5.4525      1.00000
     97      -5.3052      1.00000
     98      -5.2338      1.00000
     99      -5.1518      1.00000
    100      -5.1513      1.00000
    101      -4.5237      1.00000
    102      -4.4710      1.00000
    103      -4.1440      1.00000
    104      -3.8380      1.00000
    105      -3.7572      1.00000
    106      -3.6793      1.00000
    107      -1.8707      0.00000
    108      -1.8236      0.00000
    109      -1.2768      0.00000
    110      -1.0359      0.00000
    111      -1.0115      0.00000
    112      -0.7118      0.00000
    113      -0.6397      0.00000
    114      -0.5879      0.00000
    115      -0.5458      0.00000
    116      -0.2012      0.00000
    117       0.2528      0.00000
    118       0.2788      0.00000
    119       0.7626      0.00000
    120       0.9471      0.00000
    121       1.1330      0.00000
    122       1.2273      0.00000
    123       1.3215      0.00000
    124       1.4140      0.00000
    125       1.6031      0.00000
    126       1.6343      0.00000
    127       1.7042      0.00000
    128       1.8255      0.00000
    129       1.9237      0.00000
    130       2.0158      0.00000
    131       2.1096      0.00000
    132       2.3316      0.00000
    133       2.3970      0.00000
    134       2.4353      0.00000
    135       2.5454      0.00000
    136       2.6361      0.00000
    137       2.7570      0.00000
    138       2.8254      0.00000
    139       2.8351      0.00000
    140       2.8894      0.00000
    141       3.0459      0.00000
    142       3.0925      0.00000
    143       3.1905      0.00000
    144       3.2435      0.00000
    145       3.3914      0.00000
    146       3.4249      0.00000
    147       3.4855      0.00000
    148       3.5782      0.00000
    149       3.6050      0.00000
    150       3.6288      0.00000
    151       3.6535      0.00000
    152       3.7445      0.00000
    153       3.7747      0.00000
    154       3.7913      0.00000
    155       3.8094      0.00000
    156       3.9006      0.00000
    157       3.9806      0.00000
    158       4.0149      0.00000
    159       4.1800      0.00000
    160       4.2418      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2475      1.00000
      2     -21.8932      1.00000
      3     -21.8225      1.00000
      4     -21.3112      1.00000
      5     -21.2808      1.00000
      6     -20.7700      1.00000
      7     -20.7040      1.00000
      8     -20.5556      1.00000
      9     -20.0082      1.00000
     10     -20.0009      1.00000
     11     -19.6473      1.00000
     12     -19.6229      1.00000
     13     -18.9289      1.00000
     14     -18.9205      1.00000
     15     -18.5701      1.00000
     16     -18.5561      1.00000
     17     -18.3932      1.00000
     18     -17.6145      1.00000
     19     -17.5580      1.00000
     20     -17.5529      1.00000
     21     -17.5114      1.00000
     22     -17.0554      1.00000
     23     -17.0375      1.00000
     24     -16.8910      1.00000
     25     -15.9292      1.00000
     26     -15.8668      1.00000
     27     -15.5159      1.00000
     28     -15.5149      1.00000
     29     -15.2279      1.00000
     30     -14.7941      1.00000
     31     -14.7666      1.00000
     32     -14.5147      1.00000
     33     -14.4706      1.00000
     34     -14.1013      1.00000
     35     -14.0903      1.00000
     36     -13.0758      1.00000
     37     -13.0324      1.00000
     38     -12.9663      1.00000
     39     -12.9541      1.00000
     40     -12.6447      1.00000
     41     -12.6382      1.00000
     42     -12.2736      1.00000
     43     -12.2422      1.00000
     44     -11.5876      1.00000
     45     -11.5603      1.00000
     46     -11.5058      1.00000
     47     -10.9047      1.00000
     48     -10.8505      1.00000
     49     -10.6217      1.00000
     50     -10.5587      1.00000
     51     -10.4849      1.00000
     52     -10.4332      1.00000
     53     -10.4234      1.00000
     54     -10.3705      1.00000
     55     -10.2931      1.00000
     56     -10.0652      1.00000
     57      -9.8327      1.00000
     58      -9.5477      1.00000
     59      -9.4877      1.00000
     60      -9.4719      1.00000
     61      -9.3458      1.00000
     62      -9.3301      1.00000
     63      -9.3096      1.00000
     64      -9.3078      1.00000
     65      -9.2140      1.00000
     66      -9.1118      1.00000
     67      -9.0804      1.00000
     68      -9.0491      1.00000
     69      -8.8486      1.00000
     70      -8.7925      1.00000
     71      -8.7736      1.00000
     72      -8.5266      1.00000
     73      -8.4755      1.00000
     74      -8.2229      1.00000
     75      -8.1098      1.00000
     76      -8.0990      1.00000
     77      -7.8076      1.00000
     78      -7.7838      1.00000
     79      -7.7813      1.00000
     80      -7.6733      1.00000
     81      -7.6311      1.00000
     82      -7.6300      1.00000
     83      -7.4007      1.00000
     84      -7.3244      1.00000
     85      -7.2003      1.00000
     86      -6.8392      1.00000
     87      -6.8289      1.00000
     88      -6.6626      1.00000
     89      -6.5382      1.00000
     90      -6.3443      1.00000
     91      -6.3074      1.00000
     92      -6.1838      1.00000
     93      -6.1474      1.00000
     94      -5.9771      1.00000
     95      -5.5724      1.00000
     96      -5.4258      1.00000
     97      -5.2584      1.00000
     98      -5.2520      1.00000
     99      -5.1488      1.00000
    100      -4.6956      1.00000
    101      -4.6649      1.00000
    102      -4.3491      1.00000
    103      -4.3166      1.00000
    104      -3.9652      1.00000
    105      -3.8316      1.00000
    106      -3.3891      1.00000
    107      -2.2199      0.00000
    108      -1.3766      0.00000
    109      -1.2862      0.00000
    110      -1.1728      0.00000
    111      -1.0774      0.00000
    112      -0.8935      0.00000
    113      -0.7677      0.00000
    114      -0.7569      0.00000
    115      -0.2168      0.00000
    116       0.1138      0.00000
    117       0.2638      0.00000
    118       0.3461      0.00000
    119       0.7364      0.00000
    120       0.9039      0.00000
    121       0.9724      0.00000
    122       1.0959      0.00000
    123       1.2109      0.00000
    124       1.5310      0.00000
    125       1.5665      0.00000
    126       1.7190      0.00000
    127       1.8391      0.00000
    128       1.8629      0.00000
    129       1.9713      0.00000
    130       2.0031      0.00000
    131       2.1614      0.00000
    132       2.2721      0.00000
    133       2.4593      0.00000
    134       2.4714      0.00000
    135       2.5074      0.00000
    136       2.6665      0.00000
    137       2.6877      0.00000
    138       2.7349      0.00000
    139       2.7473      0.00000
    140       2.8970      0.00000
    141       3.0256      0.00000
    142       3.0867      0.00000
    143       3.1945      0.00000
    144       3.2569      0.00000
    145       3.2627      0.00000
    146       3.2737      0.00000
    147       3.3650      0.00000
    148       3.4862      0.00000
    149       3.5325      0.00000
    150       3.6996      0.00000
    151       3.7631      0.00000
    152       3.7713      0.00000
    153       3.8384      0.00000
    154       3.8844      0.00000
    155       3.9470      0.00000
    156       3.9862      0.00000
    157       4.0250      0.00000
    158       4.0537      0.00000
    159       4.0592      0.00000
    160       4.0896      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1415      1.00000
      2     -22.0463      1.00000
      3     -21.8861      1.00000
      4     -21.3341      1.00000
      5     -20.9813      1.00000
      6     -20.9427      1.00000
      7     -20.4329      1.00000
      8     -20.3902      1.00000
      9     -20.2261      1.00000
     10     -20.2046      1.00000
     11     -19.8886      1.00000
     12     -19.8210      1.00000
     13     -18.8144      1.00000
     14     -18.7433      1.00000
     15     -18.2895      1.00000
     16     -18.2360      1.00000
     17     -18.0854      1.00000
     18     -18.0653      1.00000
     19     -17.7611      1.00000
     20     -17.7187      1.00000
     21     -17.1884      1.00000
     22     -17.1696      1.00000
     23     -17.0992      1.00000
     24     -17.0634      1.00000
     25     -16.0374      1.00000
     26     -15.8226      1.00000
     27     -15.7992      1.00000
     28     -15.7643      1.00000
     29     -15.1733      1.00000
     30     -14.4909      1.00000
     31     -14.4580      1.00000
     32     -14.2175      1.00000
     33     -13.8947      1.00000
     34     -13.8899      1.00000
     35     -13.7556      1.00000
     36     -13.7356      1.00000
     37     -13.5514      1.00000
     38     -13.5027      1.00000
     39     -13.2995      1.00000
     40     -12.5639      1.00000
     41     -12.1251      1.00000
     42     -12.0657      1.00000
     43     -12.0096      1.00000
     44     -11.9512      1.00000
     45     -11.6107      1.00000
     46     -11.5877      1.00000
     47     -11.0852      1.00000
     48     -11.0516      1.00000
     49     -10.7534      1.00000
     50     -10.6637      1.00000
     51     -10.5272      1.00000
     52     -10.1484      1.00000
     53     -10.1380      1.00000
     54     -10.0956      1.00000
     55      -9.9528      1.00000
     56      -9.9474      1.00000
     57      -9.9167      1.00000
     58      -9.7376      1.00000
     59      -9.7307      1.00000
     60      -9.7005      1.00000
     61      -9.6905      1.00000
     62      -9.4298      1.00000
     63      -9.3628      1.00000
     64      -9.0870      1.00000
     65      -9.0063      1.00000
     66      -8.9743      1.00000
     67      -8.8876      1.00000
     68      -8.8109      1.00000
     69      -8.6582      1.00000
     70      -8.6347      1.00000
     71      -8.5790      1.00000
     72      -8.4780      1.00000
     73      -8.4673      1.00000
     74      -8.3979      1.00000
     75      -8.3938      1.00000
     76      -8.1835      1.00000
     77      -8.1144      1.00000
     78      -7.9768      1.00000
     79      -7.9155      1.00000
     80      -7.8467      1.00000
     81      -7.6180      1.00000
     82      -7.5297      1.00000
     83      -7.4689      1.00000
     84      -7.2573      1.00000
     85      -6.9346      1.00000
     86      -6.8574      1.00000
     87      -6.8108      1.00000
     88      -6.5752      1.00000
     89      -6.4668      1.00000
     90      -6.4202      1.00000
     91      -6.3563      1.00000
     92      -6.0525      1.00000
     93      -5.8780      1.00000
     94      -5.7529      1.00000
     95      -5.7213      1.00000
     96      -5.4774      1.00000
     97      -5.3463      1.00000
     98      -5.1800      1.00000
     99      -5.1558      1.00000
    100      -5.1544      1.00000
    101      -4.7077      1.00000
    102      -4.4412      1.00000
    103      -4.2565      1.00000
    104      -3.9969      1.00000
    105      -3.8304      1.00000
    106      -3.1556      1.00000
    107      -2.4627      0.00000
    108      -1.3784      0.00000
    109      -1.2411      0.00000
    110      -1.1458      0.00000
    111      -1.1142      0.00000
    112      -0.5630      0.00000
    113      -0.4344      0.00000
    114      -0.4293      0.00000
    115      -0.3099      0.00000
    116      -0.1896      0.00000
    117       0.0621      0.00000
    118       0.1176      0.00000
    119       0.5405      0.00000
    120       0.6844      0.00000
    121       0.8731      0.00000
    122       0.9704      0.00000
    123       1.1134      0.00000
    124       1.4975      0.00000
    125       1.6642      0.00000
    126       1.8080      0.00000
    127       1.8800      0.00000
    128       2.0966      0.00000
    129       2.1415      0.00000
    130       2.1986      0.00000
    131       2.2163      0.00000
    132       2.3405      0.00000
    133       2.3643      0.00000
    134       2.4893      0.00000
    135       2.5822      0.00000
    136       2.6719      0.00000
    137       2.8809      0.00000
    138       2.9382      0.00000
    139       2.9682      0.00000
    140       2.9977      0.00000
    141       3.0447      0.00000
    142       3.1530      0.00000
    143       3.1828      0.00000
    144       3.2499      0.00000
    145       3.2929      0.00000
    146       3.3343      0.00000
    147       3.3506      0.00000
    148       3.3815      0.00000
    149       3.4178      0.00000
    150       3.4988      0.00000
    151       3.5583      0.00000
    152       3.6369      0.00000
    153       3.6975      0.00000
    154       3.7120      0.00000
    155       3.7303      0.00000
    156       3.9225      0.00000
    157       3.9399      0.00000
    158       4.0624      0.00000
    159       4.0937      0.00000
    160       4.2069      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2473      1.00000
      2     -21.8946      1.00000
      3     -21.8210      1.00000
      4     -21.3158      1.00000
      5     -21.2768      1.00000
      6     -20.7710      1.00000
      7     -20.7020      1.00000
      8     -20.5540      1.00000
      9     -20.0224      1.00000
     10     -19.9899      1.00000
     11     -19.6499      1.00000
     12     -19.6187      1.00000
     13     -18.9430      1.00000
     14     -18.9081      1.00000
     15     -18.5836      1.00000
     16     -18.5460      1.00000
     17     -18.3916      1.00000
     18     -17.6016      1.00000
     19     -17.5702      1.00000
     20     -17.5407      1.00000
     21     -17.5080      1.00000
     22     -17.0740      1.00000
     23     -17.0270      1.00000
     24     -16.8996      1.00000
     25     -15.9450      1.00000
     26     -15.8507      1.00000
     27     -15.5329      1.00000
     28     -15.5061      1.00000
     29     -15.2089      1.00000
     30     -14.8135      1.00000
     31     -14.7608      1.00000
     32     -14.5091      1.00000
     33     -14.4674      1.00000
     34     -14.0957      1.00000
     35     -14.0927      1.00000
     36     -13.1044      1.00000
     37     -13.0292      1.00000
     38     -12.9564      1.00000
     39     -12.9491      1.00000
     40     -12.6555      1.00000
     41     -12.6269      1.00000
     42     -12.2737      1.00000
     43     -12.2466      1.00000
     44     -11.5727      1.00000
     45     -11.5531      1.00000
     46     -11.5001      1.00000
     47     -10.8780      1.00000
     48     -10.8685      1.00000
     49     -10.6833      1.00000
     50     -10.5248      1.00000
     51     -10.5203      1.00000
     52     -10.4330      1.00000
     53     -10.4153      1.00000
     54     -10.3697      1.00000
     55     -10.2875      1.00000
     56     -10.0608      1.00000
     57      -9.8315      1.00000
     58      -9.5589      1.00000
     59      -9.4843      1.00000
     60      -9.4449      1.00000
     61      -9.3552      1.00000
     62      -9.3387      1.00000
     63      -9.3074      1.00000
     64      -9.3020      1.00000
     65      -9.2056      1.00000
     66      -9.0990      1.00000
     67      -9.0679      1.00000
     68      -9.0487      1.00000
     69      -8.8517      1.00000
     70      -8.7962      1.00000
     71      -8.7777      1.00000
     72      -8.5266      1.00000
     73      -8.4973      1.00000
     74      -8.2280      1.00000
     75      -8.1292      1.00000
     76      -8.0925      1.00000
     77      -7.8067      1.00000
     78      -7.7672      1.00000
     79      -7.7388      1.00000
     80      -7.7031      1.00000
     81      -7.6351      1.00000
     82      -7.6245      1.00000
     83      -7.3879      1.00000
     84      -7.3442      1.00000
     85      -7.2197      1.00000
     86      -6.8434      1.00000
     87      -6.8200      1.00000
     88      -6.6402      1.00000
     89      -6.5292      1.00000
     90      -6.3410      1.00000
     91      -6.2728      1.00000
     92      -6.1952      1.00000
     93      -6.1314      1.00000
     94      -6.0213      1.00000
     95      -5.6382      1.00000
     96      -5.5085      1.00000
     97      -5.2975      1.00000
     98      -5.1558      1.00000
     99      -5.0403      1.00000
    100      -4.7269      1.00000
    101      -4.6853      1.00000
    102      -4.3679      1.00000
    103      -4.1860      1.00000
    104      -4.0100      1.00000
    105      -3.8299      1.00000
    106      -3.4836      1.00000
    107      -2.1640      0.00000
    108      -1.3830      0.00000
    109      -1.2354      0.00000
    110      -1.1844      0.00000
    111      -1.0137      0.00000
    112      -0.9557      0.00000
    113      -0.7971      0.00000
    114      -0.7518      0.00000
    115      -0.3645      0.00000
    116       0.2454      0.00000
    117       0.2769      0.00000
    118       0.3650      0.00000
    119       0.7023      0.00000
    120       0.8693      0.00000
    121       0.9660      0.00000
    122       1.1285      0.00000
    123       1.2380      0.00000
    124       1.4575      0.00000
    125       1.5593      0.00000
    126       1.7843      0.00000
    127       1.8518      0.00000
    128       1.8847      0.00000
    129       1.9899      0.00000
    130       2.0341      0.00000
    131       2.1995      0.00000
    132       2.2154      0.00000
    133       2.4056      0.00000
    134       2.4557      0.00000
    135       2.5549      0.00000
    136       2.6589      0.00000
    137       2.6854      0.00000
    138       2.7310      0.00000
    139       2.7717      0.00000
    140       2.8586      0.00000
    141       2.9690      0.00000
    142       3.0857      0.00000
    143       3.1910      0.00000
    144       3.2445      0.00000
    145       3.2612      0.00000
    146       3.2992      0.00000
    147       3.3378      0.00000
    148       3.4860      0.00000
    149       3.5134      0.00000
    150       3.7172      0.00000
    151       3.7271      0.00000
    152       3.7712      0.00000
    153       3.8648      0.00000
    154       3.8777      0.00000
    155       3.9024      0.00000
    156       4.0002      0.00000
    157       4.0017      0.00000
    158       4.0561      0.00000
    159       4.0678      0.00000
    160       4.0925      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3193      1.00000
      2     -21.7611      1.00000
      3     -21.5674      1.00000
      4     -21.5400      1.00000
      5     -21.2046      1.00000
      6     -21.1656      1.00000
      7     -20.9853      1.00000
      8     -20.0983      1.00000
      9     -20.0593      1.00000
     10     -19.5458      1.00000
     11     -19.5257      1.00000
     12     -19.3444      1.00000
     13     -19.0277      1.00000
     14     -18.9876      1.00000
     15     -18.9771      1.00000
     16     -18.9714      1.00000
     17     -18.2955      1.00000
     18     -18.2820      1.00000
     19     -17.9459      1.00000
     20     -17.0003      1.00000
     21     -16.9592      1.00000
     22     -16.8822      1.00000
     23     -16.8693      1.00000
     24     -16.4157      1.00000
     25     -16.3927      1.00000
     26     -15.5404      1.00000
     27     -15.5370      1.00000
     28     -15.1725      1.00000
     29     -15.1709      1.00000
     30     -15.1307      1.00000
     31     -15.0359      1.00000
     32     -15.0006      1.00000
     33     -14.6330      1.00000
     34     -14.6259      1.00000
     35     -13.6625      1.00000
     36     -13.6524      1.00000
     37     -13.1708      1.00000
     38     -12.5729      1.00000
     39     -12.5129      1.00000
     40     -12.3853      1.00000
     41     -12.3848      1.00000
     42     -12.0351      1.00000
     43     -12.0309      1.00000
     44     -11.6546      1.00000
     45     -11.6141      1.00000
     46     -11.2064      1.00000
     47     -11.1568      1.00000
     48     -10.9551      1.00000
     49     -10.9420      1.00000
     50     -10.8602      1.00000
     51     -10.8276      1.00000
     52     -10.6258      1.00000
     53     -10.1470      1.00000
     54     -10.0839      1.00000
     55     -10.0248      1.00000
     56      -9.9462      1.00000
     57      -9.6308      1.00000
     58      -9.6293      1.00000
     59      -9.6029      1.00000
     60      -9.5406      1.00000
     61      -9.5026      1.00000
     62      -9.4783      1.00000
     63      -9.2729      1.00000
     64      -9.2351      1.00000
     65      -9.2068      1.00000
     66      -9.1791      1.00000
     67      -9.0619      1.00000
     68      -9.0467      1.00000
     69      -9.0430      1.00000
     70      -8.8766      1.00000
     71      -8.8082      1.00000
     72      -8.5367      1.00000
     73      -8.5328      1.00000
     74      -8.5020      1.00000
     75      -8.0310      1.00000
     76      -7.8321      1.00000
     77      -7.8006      1.00000
     78      -7.7734      1.00000
     79      -7.7028      1.00000
     80      -7.6843      1.00000
     81      -7.4143      1.00000
     82      -7.2872      1.00000
     83      -7.2511      1.00000
     84      -7.2030      1.00000
     85      -7.0822      1.00000
     86      -7.0750      1.00000
     87      -6.9377      1.00000
     88      -6.7116      1.00000
     89      -6.6742      1.00000
     90      -6.6287      1.00000
     91      -6.5569      1.00000
     92      -6.0717      1.00000
     93      -6.0313      1.00000
     94      -6.0012      1.00000
     95      -5.9367      1.00000
     96      -5.8008      1.00000
     97      -5.1828      1.00000
     98      -4.8960      1.00000
     99      -4.7938      1.00000
    100      -4.6106      1.00000
    101      -4.5123      1.00000
    102      -4.1404      1.00000
    103      -4.0919      1.00000
    104      -3.9306      1.00000
    105      -3.9167      1.00000
    106      -3.8289      1.00000
    107      -1.7515      0.00000
    108      -1.6954      0.00000
    109      -1.4100      0.00000
    110      -1.3707      0.00000
    111      -1.2640      0.00000
    112      -1.2358      0.00000
    113      -0.6227      0.00000
    114      -0.5981      0.00000
    115      -0.1900      0.00000
    116       0.0433      0.00000
    117       0.5858      0.00000
    118       0.7410      0.00000
    119       0.8502      0.00000
    120       0.9290      0.00000
    121       1.1677      0.00000
    122       1.2121      0.00000
    123       1.2480      0.00000
    124       1.4221      0.00000
    125       1.6005      0.00000
    126       1.6428      0.00000
    127       1.7068      0.00000
    128       1.8072      0.00000
    129       1.9231      0.00000
    130       1.9403      0.00000
    131       2.1525      0.00000
    132       2.1752      0.00000
    133       2.2631      0.00000
    134       2.3047      0.00000
    135       2.5455      0.00000
    136       2.5634      0.00000
    137       2.6385      0.00000
    138       2.7630      0.00000
    139       2.8135      0.00000
    140       2.8475      0.00000
    141       2.8941      0.00000
    142       2.9464      0.00000
    143       3.0182      0.00000
    144       3.0312      0.00000
    145       3.0929      0.00000
    146       3.3197      0.00000
    147       3.3719      0.00000
    148       3.4183      0.00000
    149       3.4821      0.00000
    150       3.6081      0.00000
    151       3.6588      0.00000
    152       3.6688      0.00000
    153       3.6816      0.00000
    154       3.8971      0.00000
    155       3.9835      0.00000
    156       4.0312      0.00000
    157       4.0768      0.00000
    158       4.2403      0.00000
    159       4.2591      0.00000
    160       4.2736      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1406      1.00000
      2     -22.0477      1.00000
      3     -21.8856      1.00000
      4     -21.3350      1.00000
      5     -20.9763      1.00000
      6     -20.9468      1.00000
      7     -20.4277      1.00000
      8     -20.3956      1.00000
      9     -20.2156      1.00000
     10     -20.2138      1.00000
     11     -19.8874      1.00000
     12     -19.8235      1.00000
     13     -18.8173      1.00000
     14     -18.7464      1.00000
     15     -18.2656      1.00000
     16     -18.2513      1.00000
     17     -18.0798      1.00000
     18     -18.0733      1.00000
     19     -17.7457      1.00000
     20     -17.7297      1.00000
     21     -17.1945      1.00000
     22     -17.1712      1.00000
     23     -17.0885      1.00000
     24     -17.0675      1.00000
     25     -16.0536      1.00000
     26     -15.8081      1.00000
     27     -15.7985      1.00000
     28     -15.7773      1.00000
     29     -15.1589      1.00000
     30     -14.4853      1.00000
     31     -14.4638      1.00000
     32     -14.2040      1.00000
     33     -13.9163      1.00000
     34     -13.8864      1.00000
     35     -13.7587      1.00000
     36     -13.7386      1.00000
     37     -13.5361      1.00000
     38     -13.5100      1.00000
     39     -13.3010      1.00000
     40     -12.5764      1.00000
     41     -12.1010      1.00000
     42     -12.0768      1.00000
     43     -11.9982      1.00000
     44     -11.9505      1.00000
     45     -11.6057      1.00000
     46     -11.5978      1.00000
     47     -11.0843      1.00000
     48     -11.0609      1.00000
     49     -10.7320      1.00000
     50     -10.6641      1.00000
     51     -10.5607      1.00000
     52     -10.1396      1.00000
     53     -10.1349      1.00000
     54     -10.1003      1.00000
     55      -9.9661      1.00000
     56      -9.9251      1.00000
     57      -9.9209      1.00000
     58      -9.7509      1.00000
     59      -9.7288      1.00000
     60      -9.6973      1.00000
     61      -9.6946      1.00000
     62      -9.4013      1.00000
     63      -9.3888      1.00000
     64      -9.0691      1.00000
     65      -8.9823      1.00000
     66      -8.9811      1.00000
     67      -8.9060      1.00000
     68      -8.8117      1.00000
     69      -8.6496      1.00000
     70      -8.6337      1.00000
     71      -8.5489      1.00000
     72      -8.5018      1.00000
     73      -8.4823      1.00000
     74      -8.3942      1.00000
     75      -8.3821      1.00000
     76      -8.2097      1.00000
     77      -8.1022      1.00000
     78      -8.0070      1.00000
     79      -7.9018      1.00000
     80      -7.8433      1.00000
     81      -7.6216      1.00000
     82      -7.5323      1.00000
     83      -7.4571      1.00000
     84      -7.2540      1.00000
     85      -6.9429      1.00000
     86      -6.8689      1.00000
     87      -6.8095      1.00000
     88      -6.4778      1.00000
     89      -6.4687      1.00000
     90      -6.4089      1.00000
     91      -6.3596      1.00000
     92      -6.1926      1.00000
     93      -5.8579      1.00000
     94      -5.7374      1.00000
     95      -5.7110      1.00000
     96      -5.5245      1.00000
     97      -5.3290      1.00000
     98      -5.1721      1.00000
     99      -5.1673      1.00000
    100      -5.1337      1.00000
    101      -4.6961      1.00000
    102      -4.3483      1.00000
    103      -4.2816      1.00000
    104      -4.0304      1.00000
    105      -3.8314      1.00000
    106      -3.2327      1.00000
    107      -2.4047      0.00000
    108      -1.3449      0.00000
    109      -1.2436      0.00000
    110      -1.1529      0.00000
    111      -1.1081      0.00000
    112      -0.5819      0.00000
    113      -0.5213      0.00000
    114      -0.4336      0.00000
    115      -0.2748      0.00000
    116      -0.0697      0.00000
    117      -0.0103      0.00000
    118       0.0600      0.00000
    119       0.5833      0.00000
    120       0.7110      0.00000
    121       0.8114      0.00000
    122       0.9466      0.00000
    123       1.1855      0.00000
    124       1.5131      0.00000
    125       1.6218      0.00000
    126       1.8646      0.00000
    127       2.0070      0.00000
    128       2.0528      0.00000
    129       2.1172      0.00000
    130       2.1556      0.00000
    131       2.2645      0.00000
    132       2.2863      0.00000
    133       2.3492      0.00000
    134       2.4626      0.00000
    135       2.6129      0.00000
    136       2.7035      0.00000
    137       2.8226      0.00000
    138       2.9151      0.00000
    139       2.9435      0.00000
    140       3.0196      0.00000
    141       3.0519      0.00000
    142       3.1593      0.00000
    143       3.1651      0.00000
    144       3.2287      0.00000
    145       3.3005      0.00000
    146       3.3135      0.00000
    147       3.3547      0.00000
    148       3.3747      0.00000
    149       3.4193      0.00000
    150       3.4551      0.00000
    151       3.5678      0.00000
    152       3.6167      0.00000
    153       3.7039      0.00000
    154       3.7285      0.00000
    155       3.8509      0.00000
    156       3.9093      0.00000
    157       3.9338      0.00000
    158       3.9642      0.00000
    159       4.1518      0.00000
    160       4.1860      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2133      1.00000
      2     -22.0080      1.00000
      3     -21.6461      1.00000
      4     -21.6146      1.00000
      5     -20.9096      1.00000
      6     -20.8688      1.00000
      7     -20.5390      1.00000
      8     -20.5063      1.00000
      9     -20.4995      1.00000
     10     -19.9622      1.00000
     11     -19.4406      1.00000
     12     -19.4187      1.00000
     13     -19.2397      1.00000
     14     -19.2325      1.00000
     15     -18.3760      1.00000
     16     -18.3408      1.00000
     17     -17.8586      1.00000
     18     -17.8425      1.00000
     19     -17.6912      1.00000
     20     -17.6551      1.00000
     21     -17.3721      1.00000
     22     -17.3578      1.00000
     23     -17.2671      1.00000
     24     -16.4133      1.00000
     25     -16.3895      1.00000
     26     -15.9045      1.00000
     27     -15.3433      1.00000
     28     -15.3383      1.00000
     29     -15.0309      1.00000
     30     -15.0210      1.00000
     31     -14.7763      1.00000
     32     -14.7740      1.00000
     33     -14.2375      1.00000
     34     -14.1868      1.00000
     35     -13.3876      1.00000
     36     -13.3332      1.00000
     37     -13.1110      1.00000
     38     -13.1028      1.00000
     39     -12.9177      1.00000
     40     -12.9120      1.00000
     41     -12.5453      1.00000
     42     -12.5374      1.00000
     43     -12.1334      1.00000
     44     -11.5136      1.00000
     45     -11.4689      1.00000
     46     -11.2445      1.00000
     47     -11.2127      1.00000
     48     -11.0866      1.00000
     49     -10.7071      1.00000
     50     -10.5954      1.00000
     51     -10.5093      1.00000
     52     -10.2514      1.00000
     53     -10.2471      1.00000
     54     -10.1220      1.00000
     55     -10.0541      1.00000
     56     -10.0384      1.00000
     57      -9.7852      1.00000
     58      -9.6869      1.00000
     59      -9.6732      1.00000
     60      -9.6375      1.00000
     61      -9.6277      1.00000
     62      -9.5853      1.00000
     63      -9.2957      1.00000
     64      -9.2833      1.00000
     65      -9.2527      1.00000
     66      -9.0662      1.00000
     67      -8.8949      1.00000
     68      -8.8836      1.00000
     69      -8.7182      1.00000
     70      -8.5823      1.00000
     71      -8.5257      1.00000
     72      -8.3509      1.00000
     73      -8.3049      1.00000
     74      -8.2433      1.00000
     75      -8.2380      1.00000
     76      -8.1945      1.00000
     77      -8.1809      1.00000
     78      -8.1692      1.00000
     79      -8.1090      1.00000
     80      -7.6899      1.00000
     81      -7.4195      1.00000
     82      -7.3435      1.00000
     83      -7.2578      1.00000
     84      -7.1687      1.00000
     85      -7.1102      1.00000
     86      -7.0040      1.00000
     87      -6.9037      1.00000
     88      -6.8473      1.00000
     89      -6.5417      1.00000
     90      -6.4985      1.00000
     91      -6.2146      1.00000
     92      -6.2014      1.00000
     93      -5.8944      1.00000
     94      -5.6740      1.00000
     95      -5.6087      1.00000
     96      -5.5802      1.00000
     97      -5.2532      1.00000
     98      -5.2311      1.00000
     99      -5.1647      1.00000
    100      -5.1343      1.00000
    101      -4.6003      1.00000
    102      -4.2514      1.00000
    103      -4.0468      1.00000
    104      -3.8842      1.00000
    105      -3.8433      1.00000
    106      -3.8006      1.00000
    107      -1.8076      0.00000
    108      -1.7800      0.00000
    109      -1.2248      0.00000
    110      -1.1754      0.00000
    111      -0.9736      0.00000
    112      -0.7339      0.00000
    113      -0.6499      0.00000
    114      -0.5935      0.00000
    115      -0.5496      0.00000
    116      -0.1509      0.00000
    117       0.1766      0.00000
    118       0.2881      0.00000
    119       0.7072      0.00000
    120       0.9514      0.00000
    121       1.1690      0.00000
    122       1.2783      0.00000
    123       1.3484      0.00000
    124       1.5147      0.00000
    125       1.6097      0.00000
    126       1.6293      0.00000
    127       1.6929      0.00000
    128       1.7752      0.00000
    129       1.8664      0.00000
    130       2.0811      0.00000
    131       2.1688      0.00000
    132       2.3196      0.00000
    133       2.3967      0.00000
    134       2.4249      0.00000
    135       2.5593      0.00000
    136       2.6267      0.00000
    137       2.6885      0.00000
    138       2.7481      0.00000
    139       2.8203      0.00000
    140       2.9104      0.00000
    141       3.0560      0.00000
    142       3.0633      0.00000
    143       3.1868      0.00000
    144       3.2851      0.00000
    145       3.3820      0.00000
    146       3.4179      0.00000
    147       3.4633      0.00000
    148       3.5485      0.00000
    149       3.5785      0.00000
    150       3.6368      0.00000
    151       3.6676      0.00000
    152       3.7018      0.00000
    153       3.7906      0.00000
    154       3.8025      0.00000
    155       3.8275      0.00000
    156       3.8971      0.00000
    157       3.9108      0.00000
    158       3.9840      0.00000
    159       4.1914      0.00000
    160       4.2384      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3559      1.00000
      2     -21.5364      1.00000
      3     -21.4064      1.00000
      4     -21.4055      1.00000
      5     -21.3743      1.00000
      6     -21.3652      1.00000
      7     -21.3579      1.00000
      8     -19.6459      1.00000
      9     -19.5717      1.00000
     10     -19.5646      1.00000
     11     -19.5581      1.00000
     12     -19.5397      1.00000
     13     -19.5368      1.00000
     14     -18.7278      1.00000
     15     -18.6793      1.00000
     16     -18.6717      1.00000
     17     -18.6581      1.00000
     18     -18.6426      1.00000
     19     -18.6408      1.00000
     20     -16.5857      1.00000
     21     -16.5262      1.00000
     22     -16.5236      1.00000
     23     -16.5104      1.00000
     24     -16.4865      1.00000
     25     -16.4846      1.00000
     26     -15.5581      1.00000
     27     -15.5259      1.00000
     28     -15.5250      1.00000
     29     -15.4995      1.00000
     30     -15.4942      1.00000
     31     -15.4884      1.00000
     32     -14.2062      1.00000
     33     -14.1800      1.00000
     34     -14.1668      1.00000
     35     -14.1646      1.00000
     36     -14.1595      1.00000
     37     -14.1481      1.00000
     38     -11.8842      1.00000
     39     -11.8076      1.00000
     40     -11.7919      1.00000
     41     -11.7915      1.00000
     42     -11.7883      1.00000
     43     -11.7827      1.00000
     44     -11.7043      1.00000
     45     -11.6976      1.00000
     46     -11.6724      1.00000
     47     -11.6572      1.00000
     48     -11.6571      1.00000
     49     -11.6502      1.00000
     50     -10.6748      1.00000
     51     -10.3287      1.00000
     52     -10.3209      1.00000
     53     -10.3053      1.00000
     54     -10.3036      1.00000
     55     -10.2905      1.00000
     56     -10.2773      1.00000
     57      -9.9286      1.00000
     58      -9.3726      1.00000
     59      -9.3589      1.00000
     60      -9.2997      1.00000
     61      -9.2915      1.00000
     62      -9.2846      1.00000
     63      -9.0920      1.00000
     64      -9.0539      1.00000
     65      -9.0489      1.00000
     66      -9.0266      1.00000
     67      -9.0065      1.00000
     68      -9.0014      1.00000
     69      -9.0002      1.00000
     70      -8.9947      1.00000
     71      -8.9915      1.00000
     72      -8.9725      1.00000
     73      -8.9644      1.00000
     74      -8.9534      1.00000
     75      -8.5012      1.00000
     76      -7.5155      1.00000
     77      -7.4102      1.00000
     78      -7.4100      1.00000
     79      -7.4011      1.00000
     80      -7.3836      1.00000
     81      -7.3636      1.00000
     82      -7.3412      1.00000
     83      -7.3079      1.00000
     84      -7.2688      1.00000
     85      -7.2062      1.00000
     86      -7.1796      1.00000
     87      -7.1793      1.00000
     88      -7.0750      1.00000
     89      -6.5096      1.00000
     90      -6.4611      1.00000
     91      -6.3548      1.00000
     92      -6.2930      1.00000
     93      -6.2873      1.00000
     94      -6.2860      1.00000
     95      -5.8968      1.00000
     96      -5.8845      1.00000
     97      -5.0507      1.00000
     98      -4.9380      1.00000
     99      -4.5398      1.00000
    100      -4.3401      1.00000
    101      -4.3177      1.00000
    102      -4.3167      1.00000
    103      -4.1152      1.00000
    104      -3.9131      1.00000
    105      -3.9012      1.00000
    106      -3.8352      1.00000
    107      -1.6812      0.00000
    108      -1.6676      0.00000
    109      -1.5367      0.00000
    110      -1.5350      0.00000
    111      -1.5218      0.00000
    112      -1.5088      0.00000
    113      -0.5842      0.00000
    114       0.1342      0.00000
    115       0.2059      0.00000
    116       0.3248      0.00000
    117       0.3270      0.00000
    118       0.3343      0.00000
    119       0.4966      0.00000
    120       0.5981      0.00000
    121       1.2597      0.00000
    122       1.2763      0.00000
    123       1.5317      0.00000
    124       1.7959      0.00000
    125       1.8053      0.00000
    126       1.8087      0.00000
    127       1.8137      0.00000
    128       1.9466      0.00000
    129       1.9822      0.00000
    130       2.0321      0.00000
    131       2.0455      0.00000
    132       2.0508      0.00000
    133       2.0554      0.00000
    134       2.0623      0.00000
    135       2.3102      0.00000
    136       2.3250      0.00000
    137       2.6168      0.00000
    138       2.6246      0.00000
    139       2.6541      0.00000
    140       2.7321      0.00000
    141       2.8636      0.00000
    142       3.0259      0.00000
    143       3.0541      0.00000
    144       3.0882      0.00000
    145       3.1025      0.00000
    146       3.1032      0.00000
    147       3.1043      0.00000
    148       3.2384      0.00000
    149       3.4532      0.00000
    150       3.5415      0.00000
    151       3.7868      0.00000
    152       3.9458      0.00000
    153       3.9516      0.00000
    154       3.9607      0.00000
    155       3.9667      0.00000
    156       3.9989      0.00000
    157       4.1850      0.00000
    158       4.2737      0.00000
    159       4.2894      0.00000
    160       4.2895      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3193      1.00000
      2     -21.7608      1.00000
      3     -21.5701      1.00000
      4     -21.5372      1.00000
      5     -21.2073      1.00000
      6     -21.1622      1.00000
      7     -20.9866      1.00000
      8     -20.1012      1.00000
      9     -20.0570      1.00000
     10     -19.5458      1.00000
     11     -19.5210      1.00000
     12     -19.3486      1.00000
     13     -19.0243      1.00000
     14     -18.9890      1.00000
     15     -18.9809      1.00000
     16     -18.9685      1.00000
     17     -18.2969      1.00000
     18     -18.2775      1.00000
     19     -17.9515      1.00000
     20     -17.0093      1.00000
     21     -16.9590      1.00000
     22     -16.8781      1.00000
     23     -16.8683      1.00000
     24     -16.4044      1.00000
     25     -16.3896      1.00000
     26     -15.5514      1.00000
     27     -15.5354      1.00000
     28     -15.1973      1.00000
     29     -15.1686      1.00000
     30     -15.1142      1.00000
     31     -15.0271      1.00000
     32     -15.0025      1.00000
     33     -14.6358      1.00000
     34     -14.6239      1.00000
     35     -13.6670      1.00000
     36     -13.6515      1.00000
     37     -13.1692      1.00000
     38     -12.5507      1.00000
     39     -12.5174      1.00000
     40     -12.3906      1.00000
     41     -12.3774      1.00000
     42     -12.0571      1.00000
     43     -12.0340      1.00000
     44     -11.6591      1.00000
     45     -11.6166      1.00000
     46     -11.1806      1.00000
     47     -11.1565      1.00000
     48     -10.9649      1.00000
     49     -10.9403      1.00000
     50     -10.8734      1.00000
     51     -10.8368      1.00000
     52     -10.6029      1.00000
     53     -10.0937      1.00000
     54     -10.0883      1.00000
     55     -10.0466      1.00000
     56      -9.9704      1.00000
     57      -9.6541      1.00000
     58      -9.6289      1.00000
     59      -9.5915      1.00000
     60      -9.5292      1.00000
     61      -9.5105      1.00000
     62      -9.4785      1.00000
     63      -9.2645      1.00000
     64      -9.2408      1.00000
     65      -9.2205      1.00000
     66      -9.1657      1.00000
     67      -9.0680      1.00000
     68      -9.0464      1.00000
     69      -9.0404      1.00000
     70      -8.8824      1.00000
     71      -8.8058      1.00000
     72      -8.5787      1.00000
     73      -8.5220      1.00000
     74      -8.4614      1.00000
     75      -8.0349      1.00000
     76      -7.8119      1.00000
     77      -7.8068      1.00000
     78      -7.7923      1.00000
     79      -7.6996      1.00000
     80      -7.6905      1.00000
     81      -7.3644      1.00000
     82      -7.2736      1.00000
     83      -7.2640      1.00000
     84      -7.2159      1.00000
     85      -7.1726      1.00000
     86      -7.0083      1.00000
     87      -6.9470      1.00000
     88      -6.7471      1.00000
     89      -6.6720      1.00000
     90      -6.5938      1.00000
     91      -6.5589      1.00000
     92      -6.0504      1.00000
     93      -6.0474      1.00000
     94      -6.0216      1.00000
     95      -5.9582      1.00000
     96      -5.7362      1.00000
     97      -5.1580      1.00000
     98      -4.9905      1.00000
     99      -4.7187      1.00000
    100      -4.6105      1.00000
    101      -4.4401      1.00000
    102      -4.3740      1.00000
    103      -4.1225      1.00000
    104      -3.8683      1.00000
    105      -3.8350      1.00000
    106      -3.7904      1.00000
    107      -1.7850      0.00000
    108      -1.7382      0.00000
    109      -1.3943      0.00000
    110      -1.3459      0.00000
    111      -1.2638      0.00000
    112      -1.2257      0.00000
    113      -0.7445      0.00000
    114      -0.3787      0.00000
    115      -0.2199      0.00000
    116      -0.0176      0.00000
    117       0.5921      0.00000
    118       0.7372      0.00000
    119       0.7642      0.00000
    120       1.0501      0.00000
    121       1.1417      0.00000
    122       1.2513      0.00000
    123       1.2735      0.00000
    124       1.4159      0.00000
    125       1.4813      0.00000
    126       1.5900      0.00000
    127       1.7589      0.00000
    128       1.8417      0.00000
    129       1.8971      0.00000
    130       1.9601      0.00000
    131       2.1087      0.00000
    132       2.2394      0.00000
    133       2.2512      0.00000
    134       2.2996      0.00000
    135       2.4905      0.00000
    136       2.6194      0.00000
    137       2.6397      0.00000
    138       2.7702      0.00000
    139       2.8041      0.00000
    140       2.8576      0.00000
    141       2.8684      0.00000
    142       2.8932      0.00000
    143       2.9605      0.00000
    144       3.0879      0.00000
    145       3.2838      0.00000
    146       3.3120      0.00000
    147       3.3764      0.00000
    148       3.4093      0.00000
    149       3.4697      0.00000
    150       3.5922      0.00000
    151       3.6400      0.00000
    152       3.6724      0.00000
    153       3.7100      0.00000
    154       3.9107      0.00000
    155       3.9465      0.00000
    156       3.9846      0.00000
    157       4.0903      0.00000
    158       4.2087      0.00000
    159       4.2477      0.00000
    160       4.3008      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2137      1.00000
      2     -22.0074      1.00000
      3     -21.6488      1.00000
      4     -21.6116      1.00000
      5     -20.9126      1.00000
      6     -20.8660      1.00000
      7     -20.5453      1.00000
      8     -20.5057      1.00000
      9     -20.4953      1.00000
     10     -19.9631      1.00000
     11     -19.4420      1.00000
     12     -19.4148      1.00000
     13     -19.2412      1.00000
     14     -19.2266      1.00000
     15     -18.3837      1.00000
     16     -18.3394      1.00000
     17     -17.8597      1.00000
     18     -17.8385      1.00000
     19     -17.6975      1.00000
     20     -17.6548      1.00000
     21     -17.3717      1.00000
     22     -17.3556      1.00000
     23     -17.2739      1.00000
     24     -16.4009      1.00000
     25     -16.3861      1.00000
     26     -15.8961      1.00000
     27     -15.3522      1.00000
     28     -15.3367      1.00000
     29     -15.0344      1.00000
     30     -15.0204      1.00000
     31     -14.7993      1.00000
     32     -14.7744      1.00000
     33     -14.2215      1.00000
     34     -14.1895      1.00000
     35     -13.3706      1.00000
     36     -13.3369      1.00000
     37     -13.1196      1.00000
     38     -13.1020      1.00000
     39     -12.9159      1.00000
     40     -12.9023      1.00000
     41     -12.5565      1.00000
     42     -12.5384      1.00000
     43     -12.1328      1.00000
     44     -11.5219      1.00000
     45     -11.4735      1.00000
     46     -11.2536      1.00000
     47     -11.2195      1.00000
     48     -11.0793      1.00000
     49     -10.6603      1.00000
     50     -10.5884      1.00000
     51     -10.5239      1.00000
     52     -10.2574      1.00000
     53     -10.2486      1.00000
     54     -10.1228      1.00000
     55     -10.0484      1.00000
     56     -10.0408      1.00000
     57      -9.7701      1.00000
     58      -9.7051      1.00000
     59      -9.6797      1.00000
     60      -9.6301      1.00000
     61      -9.6258      1.00000
     62      -9.5874      1.00000
     63      -9.2944      1.00000
     64      -9.2851      1.00000
     65      -9.2531      1.00000
     66      -9.0892      1.00000
     67      -8.8968      1.00000
     68      -8.8828      1.00000
     69      -8.7245      1.00000
     70      -8.5896      1.00000
     71      -8.5139      1.00000
     72      -8.3305      1.00000
     73      -8.3024      1.00000
     74      -8.2644      1.00000
     75      -8.2323      1.00000
     76      -8.1947      1.00000
     77      -8.1856      1.00000
     78      -8.1705      1.00000
     79      -8.1024      1.00000
     80      -7.6883      1.00000
     81      -7.3573      1.00000
     82      -7.3101      1.00000
     83      -7.2643      1.00000
     84      -7.1876      1.00000
     85      -7.1252      1.00000
     86      -7.0767      1.00000
     87      -6.9068      1.00000
     88      -6.8822      1.00000
     89      -6.5491      1.00000
     90      -6.4923      1.00000
     91      -6.2097      1.00000
     92      -6.0702      1.00000
     93      -5.9421      1.00000
     94      -5.7158      1.00000
     95      -5.6329      1.00000
     96      -5.4525      1.00000
     97      -5.3052      1.00000
     98      -5.2338      1.00000
     99      -5.1518      1.00000
    100      -5.1513      1.00000
    101      -4.5237      1.00000
    102      -4.4710      1.00000
    103      -4.1440      1.00000
    104      -3.8380      1.00000
    105      -3.7572      1.00000
    106      -3.6793      1.00000
    107      -1.8707      0.00000
    108      -1.8236      0.00000
    109      -1.2768      0.00000
    110      -1.0359      0.00000
    111      -1.0115      0.00000
    112      -0.7118      0.00000
    113      -0.6397      0.00000
    114      -0.5879      0.00000
    115      -0.5458      0.00000
    116      -0.2012      0.00000
    117       0.2528      0.00000
    118       0.2788      0.00000
    119       0.7626      0.00000
    120       0.9471      0.00000
    121       1.1330      0.00000
    122       1.2273      0.00000
    123       1.3215      0.00000
    124       1.4140      0.00000
    125       1.6031      0.00000
    126       1.6343      0.00000
    127       1.7042      0.00000
    128       1.8255      0.00000
    129       1.9237      0.00000
    130       2.0158      0.00000
    131       2.1096      0.00000
    132       2.3316      0.00000
    133       2.3970      0.00000
    134       2.4353      0.00000
    135       2.5454      0.00000
    136       2.6361      0.00000
    137       2.7570      0.00000
    138       2.8254      0.00000
    139       2.8351      0.00000
    140       2.8894      0.00000
    141       3.0459      0.00000
    142       3.0925      0.00000
    143       3.1905      0.00000
    144       3.2435      0.00000
    145       3.3914      0.00000
    146       3.4249      0.00000
    147       3.4855      0.00000
    148       3.5782      0.00000
    149       3.6050      0.00000
    150       3.6288      0.00000
    151       3.6535      0.00000
    152       3.7445      0.00000
    153       3.7747      0.00000
    154       3.7913      0.00000
    155       3.8094      0.00000
    156       3.9006      0.00000
    157       3.9806      0.00000
    158       4.0149      0.00000
    159       4.1800      0.00000
    160       4.2418      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2475      1.00000
      2     -21.8932      1.00000
      3     -21.8225      1.00000
      4     -21.3112      1.00000
      5     -21.2808      1.00000
      6     -20.7700      1.00000
      7     -20.7040      1.00000
      8     -20.5556      1.00000
      9     -20.0082      1.00000
     10     -20.0009      1.00000
     11     -19.6473      1.00000
     12     -19.6229      1.00000
     13     -18.9289      1.00000
     14     -18.9205      1.00000
     15     -18.5701      1.00000
     16     -18.5561      1.00000
     17     -18.3932      1.00000
     18     -17.6145      1.00000
     19     -17.5580      1.00000
     20     -17.5529      1.00000
     21     -17.5114      1.00000
     22     -17.0554      1.00000
     23     -17.0375      1.00000
     24     -16.8910      1.00000
     25     -15.9292      1.00000
     26     -15.8668      1.00000
     27     -15.5159      1.00000
     28     -15.5149      1.00000
     29     -15.2279      1.00000
     30     -14.7941      1.00000
     31     -14.7666      1.00000
     32     -14.5147      1.00000
     33     -14.4706      1.00000
     34     -14.1013      1.00000
     35     -14.0903      1.00000
     36     -13.0758      1.00000
     37     -13.0324      1.00000
     38     -12.9663      1.00000
     39     -12.9541      1.00000
     40     -12.6447      1.00000
     41     -12.6382      1.00000
     42     -12.2736      1.00000
     43     -12.2422      1.00000
     44     -11.5876      1.00000
     45     -11.5603      1.00000
     46     -11.5058      1.00000
     47     -10.9047      1.00000
     48     -10.8505      1.00000
     49     -10.6217      1.00000
     50     -10.5587      1.00000
     51     -10.4849      1.00000
     52     -10.4332      1.00000
     53     -10.4234      1.00000
     54     -10.3705      1.00000
     55     -10.2931      1.00000
     56     -10.0652      1.00000
     57      -9.8327      1.00000
     58      -9.5477      1.00000
     59      -9.4877      1.00000
     60      -9.4719      1.00000
     61      -9.3458      1.00000
     62      -9.3301      1.00000
     63      -9.3096      1.00000
     64      -9.3078      1.00000
     65      -9.2140      1.00000
     66      -9.1118      1.00000
     67      -9.0804      1.00000
     68      -9.0491      1.00000
     69      -8.8486      1.00000
     70      -8.7925      1.00000
     71      -8.7736      1.00000
     72      -8.5266      1.00000
     73      -8.4755      1.00000
     74      -8.2229      1.00000
     75      -8.1098      1.00000
     76      -8.0990      1.00000
     77      -7.8076      1.00000
     78      -7.7838      1.00000
     79      -7.7813      1.00000
     80      -7.6733      1.00000
     81      -7.6311      1.00000
     82      -7.6300      1.00000
     83      -7.4007      1.00000
     84      -7.3244      1.00000
     85      -7.2003      1.00000
     86      -6.8392      1.00000
     87      -6.8289      1.00000
     88      -6.6626      1.00000
     89      -6.5382      1.00000
     90      -6.3443      1.00000
     91      -6.3074      1.00000
     92      -6.1838      1.00000
     93      -6.1474      1.00000
     94      -5.9771      1.00000
     95      -5.5724      1.00000
     96      -5.4258      1.00000
     97      -5.2584      1.00000
     98      -5.2520      1.00000
     99      -5.1488      1.00000
    100      -4.6956      1.00000
    101      -4.6649      1.00000
    102      -4.3491      1.00000
    103      -4.3166      1.00000
    104      -3.9652      1.00000
    105      -3.8316      1.00000
    106      -3.3891      1.00000
    107      -2.2199      0.00000
    108      -1.3766      0.00000
    109      -1.2862      0.00000
    110      -1.1728      0.00000
    111      -1.0774      0.00000
    112      -0.8935      0.00000
    113      -0.7677      0.00000
    114      -0.7569      0.00000
    115      -0.2168      0.00000
    116       0.1138      0.00000
    117       0.2638      0.00000
    118       0.3461      0.00000
    119       0.7364      0.00000
    120       0.9039      0.00000
    121       0.9724      0.00000
    122       1.0959      0.00000
    123       1.2109      0.00000
    124       1.5310      0.00000
    125       1.5664      0.00000
    126       1.7190      0.00000
    127       1.8391      0.00000
    128       1.8629      0.00000
    129       1.9713      0.00000
    130       2.0031      0.00000
    131       2.1614      0.00000
    132       2.2721      0.00000
    133       2.4593      0.00000
    134       2.4714      0.00000
    135       2.5074      0.00000
    136       2.6665      0.00000
    137       2.6877      0.00000
    138       2.7349      0.00000
    139       2.7473      0.00000
    140       2.8970      0.00000
    141       3.0256      0.00000
    142       3.0867      0.00000
    143       3.1945      0.00000
    144       3.2569      0.00000
    145       3.2627      0.00000
    146       3.2737      0.00000
    147       3.3650      0.00000
    148       3.4862      0.00000
    149       3.5325      0.00000
    150       3.6996      0.00000
    151       3.7631      0.00000
    152       3.7713      0.00000
    153       3.8384      0.00000
    154       3.8844      0.00000
    155       3.9470      0.00000
    156       3.9862      0.00000
    157       4.0250      0.00000
    158       4.0537      0.00000
    159       4.0592      0.00000
    160       4.0897      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1415      1.00000
      2     -22.0463      1.00000
      3     -21.8861      1.00000
      4     -21.3341      1.00000
      5     -20.9813      1.00000
      6     -20.9427      1.00000
      7     -20.4329      1.00000
      8     -20.3902      1.00000
      9     -20.2261      1.00000
     10     -20.2046      1.00000
     11     -19.8886      1.00000
     12     -19.8210      1.00000
     13     -18.8144      1.00000
     14     -18.7433      1.00000
     15     -18.2895      1.00000
     16     -18.2360      1.00000
     17     -18.0854      1.00000
     18     -18.0653      1.00000
     19     -17.7611      1.00000
     20     -17.7187      1.00000
     21     -17.1884      1.00000
     22     -17.1696      1.00000
     23     -17.0992      1.00000
     24     -17.0634      1.00000
     25     -16.0374      1.00000
     26     -15.8226      1.00000
     27     -15.7992      1.00000
     28     -15.7643      1.00000
     29     -15.1733      1.00000
     30     -14.4909      1.00000
     31     -14.4580      1.00000
     32     -14.2175      1.00000
     33     -13.8947      1.00000
     34     -13.8899      1.00000
     35     -13.7556      1.00000
     36     -13.7356      1.00000
     37     -13.5514      1.00000
     38     -13.5027      1.00000
     39     -13.2995      1.00000
     40     -12.5639      1.00000
     41     -12.1251      1.00000
     42     -12.0657      1.00000
     43     -12.0096      1.00000
     44     -11.9512      1.00000
     45     -11.6107      1.00000
     46     -11.5877      1.00000
     47     -11.0852      1.00000
     48     -11.0516      1.00000
     49     -10.7534      1.00000
     50     -10.6637      1.00000
     51     -10.5272      1.00000
     52     -10.1484      1.00000
     53     -10.1380      1.00000
     54     -10.0956      1.00000
     55      -9.9528      1.00000
     56      -9.9474      1.00000
     57      -9.9167      1.00000
     58      -9.7376      1.00000
     59      -9.7307      1.00000
     60      -9.7005      1.00000
     61      -9.6905      1.00000
     62      -9.4298      1.00000
     63      -9.3628      1.00000
     64      -9.0870      1.00000
     65      -9.0063      1.00000
     66      -8.9743      1.00000
     67      -8.8876      1.00000
     68      -8.8109      1.00000
     69      -8.6582      1.00000
     70      -8.6347      1.00000
     71      -8.5790      1.00000
     72      -8.4780      1.00000
     73      -8.4673      1.00000
     74      -8.3979      1.00000
     75      -8.3938      1.00000
     76      -8.1835      1.00000
     77      -8.1144      1.00000
     78      -7.9768      1.00000
     79      -7.9155      1.00000
     80      -7.8467      1.00000
     81      -7.6180      1.00000
     82      -7.5297      1.00000
     83      -7.4689      1.00000
     84      -7.2573      1.00000
     85      -6.9346      1.00000
     86      -6.8574      1.00000
     87      -6.8108      1.00000
     88      -6.5752      1.00000
     89      -6.4668      1.00000
     90      -6.4202      1.00000
     91      -6.3563      1.00000
     92      -6.0525      1.00000
     93      -5.8780      1.00000
     94      -5.7529      1.00000
     95      -5.7213      1.00000
     96      -5.4774      1.00000
     97      -5.3463      1.00000
     98      -5.1800      1.00000
     99      -5.1558      1.00000
    100      -5.1544      1.00000
    101      -4.7077      1.00000
    102      -4.4412      1.00000
    103      -4.2565      1.00000
    104      -3.9969      1.00000
    105      -3.8304      1.00000
    106      -3.1556      1.00000
    107      -2.4627      0.00000
    108      -1.3784      0.00000
    109      -1.2411      0.00000
    110      -1.1458      0.00000
    111      -1.1142      0.00000
    112      -0.5630      0.00000
    113      -0.4344      0.00000
    114      -0.4293      0.00000
    115      -0.3099      0.00000
    116      -0.1896      0.00000
    117       0.0621      0.00000
    118       0.1176      0.00000
    119       0.5405      0.00000
    120       0.6844      0.00000
    121       0.8731      0.00000
    122       0.9704      0.00000
    123       1.1134      0.00000
    124       1.4975      0.00000
    125       1.6642      0.00000
    126       1.8080      0.00000
    127       1.8800      0.00000
    128       2.0966      0.00000
    129       2.1415      0.00000
    130       2.1986      0.00000
    131       2.2163      0.00000
    132       2.3405      0.00000
    133       2.3643      0.00000
    134       2.4893      0.00000
    135       2.5822      0.00000
    136       2.6719      0.00000
    137       2.8809      0.00000
    138       2.9382      0.00000
    139       2.9682      0.00000
    140       2.9977      0.00000
    141       3.0447      0.00000
    142       3.1530      0.00000
    143       3.1828      0.00000
    144       3.2499      0.00000
    145       3.2929      0.00000
    146       3.3343      0.00000
    147       3.3506      0.00000
    148       3.3815      0.00000
    149       3.4178      0.00000
    150       3.4988      0.00000
    151       3.5583      0.00000
    152       3.6369      0.00000
    153       3.6975      0.00000
    154       3.7120      0.00000
    155       3.7303      0.00000
    156       3.9225      0.00000
    157       3.9399      0.00000
    158       4.0624      0.00000
    159       4.0937      0.00000
    160       4.2069      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2473      1.00000
      2     -21.8946      1.00000
      3     -21.8210      1.00000
      4     -21.3158      1.00000
      5     -21.2768      1.00000
      6     -20.7710      1.00000
      7     -20.7020      1.00000
      8     -20.5540      1.00000
      9     -20.0224      1.00000
     10     -19.9899      1.00000
     11     -19.6499      1.00000
     12     -19.6187      1.00000
     13     -18.9430      1.00000
     14     -18.9081      1.00000
     15     -18.5836      1.00000
     16     -18.5460      1.00000
     17     -18.3916      1.00000
     18     -17.6016      1.00000
     19     -17.5702      1.00000
     20     -17.5407      1.00000
     21     -17.5080      1.00000
     22     -17.0740      1.00000
     23     -17.0270      1.00000
     24     -16.8996      1.00000
     25     -15.9450      1.00000
     26     -15.8507      1.00000
     27     -15.5329      1.00000
     28     -15.5061      1.00000
     29     -15.2089      1.00000
     30     -14.8135      1.00000
     31     -14.7608      1.00000
     32     -14.5091      1.00000
     33     -14.4674      1.00000
     34     -14.0957      1.00000
     35     -14.0927      1.00000
     36     -13.1044      1.00000
     37     -13.0292      1.00000
     38     -12.9564      1.00000
     39     -12.9491      1.00000
     40     -12.6555      1.00000
     41     -12.6269      1.00000
     42     -12.2737      1.00000
     43     -12.2466      1.00000
     44     -11.5727      1.00000
     45     -11.5531      1.00000
     46     -11.5001      1.00000
     47     -10.8780      1.00000
     48     -10.8685      1.00000
     49     -10.6833      1.00000
     50     -10.5248      1.00000
     51     -10.5203      1.00000
     52     -10.4330      1.00000
     53     -10.4153      1.00000
     54     -10.3697      1.00000
     55     -10.2875      1.00000
     56     -10.0608      1.00000
     57      -9.8315      1.00000
     58      -9.5589      1.00000
     59      -9.4843      1.00000
     60      -9.4449      1.00000
     61      -9.3552      1.00000
     62      -9.3387      1.00000
     63      -9.3074      1.00000
     64      -9.3020      1.00000
     65      -9.2056      1.00000
     66      -9.0990      1.00000
     67      -9.0679      1.00000
     68      -9.0487      1.00000
     69      -8.8517      1.00000
     70      -8.7962      1.00000
     71      -8.7777      1.00000
     72      -8.5266      1.00000
     73      -8.4973      1.00000
     74      -8.2280      1.00000
     75      -8.1292      1.00000
     76      -8.0925      1.00000
     77      -7.8067      1.00000
     78      -7.7672      1.00000
     79      -7.7388      1.00000
     80      -7.7031      1.00000
     81      -7.6351      1.00000
     82      -7.6245      1.00000
     83      -7.3879      1.00000
     84      -7.3442      1.00000
     85      -7.2197      1.00000
     86      -6.8434      1.00000
     87      -6.8200      1.00000
     88      -6.6402      1.00000
     89      -6.5292      1.00000
     90      -6.3410      1.00000
     91      -6.2728      1.00000
     92      -6.1952      1.00000
     93      -6.1314      1.00000
     94      -6.0213      1.00000
     95      -5.6382      1.00000
     96      -5.5085      1.00000
     97      -5.2975      1.00000
     98      -5.1558      1.00000
     99      -5.0403      1.00000
    100      -4.7269      1.00000
    101      -4.6853      1.00000
    102      -4.3679      1.00000
    103      -4.1860      1.00000
    104      -4.0100      1.00000
    105      -3.8299      1.00000
    106      -3.4836      1.00000
    107      -2.1640      0.00000
    108      -1.3830      0.00000
    109      -1.2354      0.00000
    110      -1.1844      0.00000
    111      -1.0137      0.00000
    112      -0.9557      0.00000
    113      -0.7971      0.00000
    114      -0.7518      0.00000
    115      -0.3645      0.00000
    116       0.2454      0.00000
    117       0.2769      0.00000
    118       0.3650      0.00000
    119       0.7023      0.00000
    120       0.8693      0.00000
    121       0.9660      0.00000
    122       1.1285      0.00000
    123       1.2380      0.00000
    124       1.4574      0.00000
    125       1.5593      0.00000
    126       1.7843      0.00000
    127       1.8518      0.00000
    128       1.8847      0.00000
    129       1.9899      0.00000
    130       2.0341      0.00000
    131       2.1995      0.00000
    132       2.2154      0.00000
    133       2.4056      0.00000
    134       2.4557      0.00000
    135       2.5549      0.00000
    136       2.6589      0.00000
    137       2.6854      0.00000
    138       2.7310      0.00000
    139       2.7717      0.00000
    140       2.8586      0.00000
    141       2.9690      0.00000
    142       3.0857      0.00000
    143       3.1910      0.00000
    144       3.2445      0.00000
    145       3.2612      0.00000
    146       3.2992      0.00000
    147       3.3378      0.00000
    148       3.4860      0.00000
    149       3.5134      0.00000
    150       3.7172      0.00000
    151       3.7271      0.00000
    152       3.7712      0.00000
    153       3.8648      0.00000
    154       3.8777      0.00000
    155       3.9024      0.00000
    156       4.0002      0.00000
    157       4.0017      0.00000
    158       4.0561      0.00000
    159       4.0678      0.00000
    160       4.0926      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3193      1.00000
      2     -21.7611      1.00000
      3     -21.5674      1.00000
      4     -21.5400      1.00000
      5     -21.2046      1.00000
      6     -21.1656      1.00000
      7     -20.9853      1.00000
      8     -20.0983      1.00000
      9     -20.0593      1.00000
     10     -19.5458      1.00000
     11     -19.5257      1.00000
     12     -19.3444      1.00000
     13     -19.0277      1.00000
     14     -18.9876      1.00000
     15     -18.9771      1.00000
     16     -18.9714      1.00000
     17     -18.2955      1.00000
     18     -18.2820      1.00000
     19     -17.9459      1.00000
     20     -17.0003      1.00000
     21     -16.9592      1.00000
     22     -16.8822      1.00000
     23     -16.8693      1.00000
     24     -16.4157      1.00000
     25     -16.3927      1.00000
     26     -15.5404      1.00000
     27     -15.5370      1.00000
     28     -15.1725      1.00000
     29     -15.1709      1.00000
     30     -15.1307      1.00000
     31     -15.0359      1.00000
     32     -15.0006      1.00000
     33     -14.6330      1.00000
     34     -14.6259      1.00000
     35     -13.6625      1.00000
     36     -13.6524      1.00000
     37     -13.1708      1.00000
     38     -12.5729      1.00000
     39     -12.5129      1.00000
     40     -12.3853      1.00000
     41     -12.3848      1.00000
     42     -12.0351      1.00000
     43     -12.0309      1.00000
     44     -11.6546      1.00000
     45     -11.6141      1.00000
     46     -11.2064      1.00000
     47     -11.1568      1.00000
     48     -10.9551      1.00000
     49     -10.9420      1.00000
     50     -10.8602      1.00000
     51     -10.8276      1.00000
     52     -10.6258      1.00000
     53     -10.1470      1.00000
     54     -10.0839      1.00000
     55     -10.0248      1.00000
     56      -9.9462      1.00000
     57      -9.6308      1.00000
     58      -9.6293      1.00000
     59      -9.6029      1.00000
     60      -9.5406      1.00000
     61      -9.5026      1.00000
     62      -9.4783      1.00000
     63      -9.2729      1.00000
     64      -9.2351      1.00000
     65      -9.2068      1.00000
     66      -9.1791      1.00000
     67      -9.0619      1.00000
     68      -9.0467      1.00000
     69      -9.0430      1.00000
     70      -8.8766      1.00000
     71      -8.8082      1.00000
     72      -8.5367      1.00000
     73      -8.5328      1.00000
     74      -8.5020      1.00000
     75      -8.0310      1.00000
     76      -7.8321      1.00000
     77      -7.8006      1.00000
     78      -7.7734      1.00000
     79      -7.7028      1.00000
     80      -7.6843      1.00000
     81      -7.4143      1.00000
     82      -7.2872      1.00000
     83      -7.2511      1.00000
     84      -7.2030      1.00000
     85      -7.0822      1.00000
     86      -7.0750      1.00000
     87      -6.9377      1.00000
     88      -6.7116      1.00000
     89      -6.6742      1.00000
     90      -6.6287      1.00000
     91      -6.5569      1.00000
     92      -6.0717      1.00000
     93      -6.0313      1.00000
     94      -6.0012      1.00000
     95      -5.9367      1.00000
     96      -5.8008      1.00000
     97      -5.1828      1.00000
     98      -4.8960      1.00000
     99      -4.7938      1.00000
    100      -4.6106      1.00000
    101      -4.5123      1.00000
    102      -4.1404      1.00000
    103      -4.0919      1.00000
    104      -3.9306      1.00000
    105      -3.9167      1.00000
    106      -3.8289      1.00000
    107      -1.7515      0.00000
    108      -1.6954      0.00000
    109      -1.4100      0.00000
    110      -1.3707      0.00000
    111      -1.2640      0.00000
    112      -1.2358      0.00000
    113      -0.6227      0.00000
    114      -0.5981      0.00000
    115      -0.1900      0.00000
    116       0.0433      0.00000
    117       0.5858      0.00000
    118       0.7410      0.00000
    119       0.8502      0.00000
    120       0.9290      0.00000
    121       1.1677      0.00000
    122       1.2121      0.00000
    123       1.2480      0.00000
    124       1.4221      0.00000
    125       1.6005      0.00000
    126       1.6428      0.00000
    127       1.7068      0.00000
    128       1.8072      0.00000
    129       1.9231      0.00000
    130       1.9403      0.00000
    131       2.1525      0.00000
    132       2.1752      0.00000
    133       2.2631      0.00000
    134       2.3047      0.00000
    135       2.5455      0.00000
    136       2.5634      0.00000
    137       2.6385      0.00000
    138       2.7630      0.00000
    139       2.8135      0.00000
    140       2.8475      0.00000
    141       2.8941      0.00000
    142       2.9464      0.00000
    143       3.0182      0.00000
    144       3.0312      0.00000
    145       3.0929      0.00000
    146       3.3197      0.00000
    147       3.3719      0.00000
    148       3.4183      0.00000
    149       3.4821      0.00000
    150       3.6081      0.00000
    151       3.6588      0.00000
    152       3.6687      0.00000
    153       3.6816      0.00000
    154       3.8971      0.00000
    155       3.9835      0.00000
    156       4.0312      0.00000
    157       4.0768      0.00000
    158       4.2403      0.00000
    159       4.2591      0.00000
    160       4.2735      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1406      1.00000
      2     -22.0477      1.00000
      3     -21.8856      1.00000
      4     -21.3350      1.00000
      5     -20.9763      1.00000
      6     -20.9468      1.00000
      7     -20.4277      1.00000
      8     -20.3956      1.00000
      9     -20.2156      1.00000
     10     -20.2138      1.00000
     11     -19.8874      1.00000
     12     -19.8235      1.00000
     13     -18.8173      1.00000
     14     -18.7464      1.00000
     15     -18.2656      1.00000
     16     -18.2513      1.00000
     17     -18.0798      1.00000
     18     -18.0733      1.00000
     19     -17.7457      1.00000
     20     -17.7297      1.00000
     21     -17.1945      1.00000
     22     -17.1712      1.00000
     23     -17.0885      1.00000
     24     -17.0675      1.00000
     25     -16.0536      1.00000
     26     -15.8081      1.00000
     27     -15.7985      1.00000
     28     -15.7773      1.00000
     29     -15.1589      1.00000
     30     -14.4853      1.00000
     31     -14.4638      1.00000
     32     -14.2040      1.00000
     33     -13.9163      1.00000
     34     -13.8864      1.00000
     35     -13.7587      1.00000
     36     -13.7386      1.00000
     37     -13.5361      1.00000
     38     -13.5100      1.00000
     39     -13.3010      1.00000
     40     -12.5764      1.00000
     41     -12.1010      1.00000
     42     -12.0768      1.00000
     43     -11.9982      1.00000
     44     -11.9505      1.00000
     45     -11.6057      1.00000
     46     -11.5978      1.00000
     47     -11.0843      1.00000
     48     -11.0609      1.00000
     49     -10.7320      1.00000
     50     -10.6641      1.00000
     51     -10.5607      1.00000
     52     -10.1396      1.00000
     53     -10.1349      1.00000
     54     -10.1003      1.00000
     55      -9.9661      1.00000
     56      -9.9251      1.00000
     57      -9.9209      1.00000
     58      -9.7509      1.00000
     59      -9.7288      1.00000
     60      -9.6973      1.00000
     61      -9.6946      1.00000
     62      -9.4013      1.00000
     63      -9.3888      1.00000
     64      -9.0691      1.00000
     65      -8.9823      1.00000
     66      -8.9811      1.00000
     67      -8.9060      1.00000
     68      -8.8117      1.00000
     69      -8.6496      1.00000
     70      -8.6337      1.00000
     71      -8.5489      1.00000
     72      -8.5018      1.00000
     73      -8.4823      1.00000
     74      -8.3942      1.00000
     75      -8.3821      1.00000
     76      -8.2097      1.00000
     77      -8.1022      1.00000
     78      -8.0070      1.00000
     79      -7.9018      1.00000
     80      -7.8433      1.00000
     81      -7.6216      1.00000
     82      -7.5323      1.00000
     83      -7.4571      1.00000
     84      -7.2540      1.00000
     85      -6.9429      1.00000
     86      -6.8689      1.00000
     87      -6.8095      1.00000
     88      -6.4778      1.00000
     89      -6.4687      1.00000
     90      -6.4089      1.00000
     91      -6.3596      1.00000
     92      -6.1926      1.00000
     93      -5.8579      1.00000
     94      -5.7374      1.00000
     95      -5.7110      1.00000
     96      -5.5245      1.00000
     97      -5.3290      1.00000
     98      -5.1721      1.00000
     99      -5.1673      1.00000
    100      -5.1337      1.00000
    101      -4.6961      1.00000
    102      -4.3483      1.00000
    103      -4.2816      1.00000
    104      -4.0304      1.00000
    105      -3.8314      1.00000
    106      -3.2327      1.00000
    107      -2.4047      0.00000
    108      -1.3449      0.00000
    109      -1.2436      0.00000
    110      -1.1529      0.00000
    111      -1.1081      0.00000
    112      -0.5819      0.00000
    113      -0.5213      0.00000
    114      -0.4336      0.00000
    115      -0.2748      0.00000
    116      -0.0697      0.00000
    117      -0.0103      0.00000
    118       0.0600      0.00000
    119       0.5833      0.00000
    120       0.7110      0.00000
    121       0.8114      0.00000
    122       0.9466      0.00000
    123       1.1855      0.00000
    124       1.5131      0.00000
    125       1.6218      0.00000
    126       1.8646      0.00000
    127       2.0070      0.00000
    128       2.0528      0.00000
    129       2.1172      0.00000
    130       2.1556      0.00000
    131       2.2645      0.00000
    132       2.2863      0.00000
    133       2.3492      0.00000
    134       2.4626      0.00000
    135       2.6129      0.00000
    136       2.7035      0.00000
    137       2.8226      0.00000
    138       2.9151      0.00000
    139       2.9435      0.00000
    140       3.0196      0.00000
    141       3.0519      0.00000
    142       3.1593      0.00000
    143       3.1651      0.00000
    144       3.2287      0.00000
    145       3.3005      0.00000
    146       3.3135      0.00000
    147       3.3547      0.00000
    148       3.3747      0.00000
    149       3.4193      0.00000
    150       3.4551      0.00000
    151       3.5678      0.00000
    152       3.6167      0.00000
    153       3.7039      0.00000
    154       3.7285      0.00000
    155       3.8509      0.00000
    156       3.9093      0.00000
    157       3.9338      0.00000
    158       3.9642      0.00000
    159       4.1518      0.00000
    160       4.1860      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2133      1.00000
      2     -22.0080      1.00000
      3     -21.6461      1.00000
      4     -21.6146      1.00000
      5     -20.9096      1.00000
      6     -20.8688      1.00000
      7     -20.5390      1.00000
      8     -20.5063      1.00000
      9     -20.4995      1.00000
     10     -19.9622      1.00000
     11     -19.4406      1.00000
     12     -19.4187      1.00000
     13     -19.2397      1.00000
     14     -19.2325      1.00000
     15     -18.3760      1.00000
     16     -18.3408      1.00000
     17     -17.8586      1.00000
     18     -17.8425      1.00000
     19     -17.6912      1.00000
     20     -17.6551      1.00000
     21     -17.3721      1.00000
     22     -17.3578      1.00000
     23     -17.2671      1.00000
     24     -16.4133      1.00000
     25     -16.3895      1.00000
     26     -15.9045      1.00000
     27     -15.3433      1.00000
     28     -15.3383      1.00000
     29     -15.0309      1.00000
     30     -15.0210      1.00000
     31     -14.7763      1.00000
     32     -14.7740      1.00000
     33     -14.2375      1.00000
     34     -14.1868      1.00000
     35     -13.3876      1.00000
     36     -13.3332      1.00000
     37     -13.1110      1.00000
     38     -13.1028      1.00000
     39     -12.9177      1.00000
     40     -12.9120      1.00000
     41     -12.5453      1.00000
     42     -12.5374      1.00000
     43     -12.1334      1.00000
     44     -11.5136      1.00000
     45     -11.4689      1.00000
     46     -11.2445      1.00000
     47     -11.2127      1.00000
     48     -11.0866      1.00000
     49     -10.7071      1.00000
     50     -10.5954      1.00000
     51     -10.5093      1.00000
     52     -10.2514      1.00000
     53     -10.2471      1.00000
     54     -10.1220      1.00000
     55     -10.0541      1.00000
     56     -10.0384      1.00000
     57      -9.7852      1.00000
     58      -9.6869      1.00000
     59      -9.6732      1.00000
     60      -9.6375      1.00000
     61      -9.6277      1.00000
     62      -9.5853      1.00000
     63      -9.2957      1.00000
     64      -9.2833      1.00000
     65      -9.2527      1.00000
     66      -9.0662      1.00000
     67      -8.8949      1.00000
     68      -8.8836      1.00000
     69      -8.7182      1.00000
     70      -8.5823      1.00000
     71      -8.5257      1.00000
     72      -8.3509      1.00000
     73      -8.3049      1.00000
     74      -8.2433      1.00000
     75      -8.2380      1.00000
     76      -8.1945      1.00000
     77      -8.1809      1.00000
     78      -8.1692      1.00000
     79      -8.1090      1.00000
     80      -7.6899      1.00000
     81      -7.4195      1.00000
     82      -7.3435      1.00000
     83      -7.2578      1.00000
     84      -7.1687      1.00000
     85      -7.1102      1.00000
     86      -7.0040      1.00000
     87      -6.9037      1.00000
     88      -6.8473      1.00000
     89      -6.5417      1.00000
     90      -6.4985      1.00000
     91      -6.2146      1.00000
     92      -6.2014      1.00000
     93      -5.8944      1.00000
     94      -5.6740      1.00000
     95      -5.6087      1.00000
     96      -5.5802      1.00000
     97      -5.2532      1.00000
     98      -5.2311      1.00000
     99      -5.1647      1.00000
    100      -5.1343      1.00000
    101      -4.6003      1.00000
    102      -4.2514      1.00000
    103      -4.0468      1.00000
    104      -3.8842      1.00000
    105      -3.8433      1.00000
    106      -3.8006      1.00000
    107      -1.8076      0.00000
    108      -1.7800      0.00000
    109      -1.2248      0.00000
    110      -1.1754      0.00000
    111      -0.9736      0.00000
    112      -0.7339      0.00000
    113      -0.6499      0.00000
    114      -0.5935      0.00000
    115      -0.5496      0.00000
    116      -0.1509      0.00000
    117       0.1766      0.00000
    118       0.2881      0.00000
    119       0.7072      0.00000
    120       0.9514      0.00000
    121       1.1690      0.00000
    122       1.2783      0.00000
    123       1.3484      0.00000
    124       1.5147      0.00000
    125       1.6097      0.00000
    126       1.6293      0.00000
    127       1.6929      0.00000
    128       1.7752      0.00000
    129       1.8664      0.00000
    130       2.0811      0.00000
    131       2.1688      0.00000
    132       2.3196      0.00000
    133       2.3967      0.00000
    134       2.4249      0.00000
    135       2.5593      0.00000
    136       2.6267      0.00000
    137       2.6885      0.00000
    138       2.7481      0.00000
    139       2.8203      0.00000
    140       2.9104      0.00000
    141       3.0560      0.00000
    142       3.0633      0.00000
    143       3.1868      0.00000
    144       3.2851      0.00000
    145       3.3820      0.00000
    146       3.4179      0.00000
    147       3.4633      0.00000
    148       3.5485      0.00000
    149       3.5785      0.00000
    150       3.6368      0.00000
    151       3.6676      0.00000
    152       3.7018      0.00000
    153       3.7906      0.00000
    154       3.8025      0.00000
    155       3.8275      0.00000
    156       3.8971      0.00000
    157       3.9108      0.00000
    158       3.9840      0.00000
    159       4.1914      0.00000
    160       4.2384      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0399   -7.2556    3.9847   -1.1327   -0.1857   17.3764    0.4906   -0.8143    0.7717   -0.4772
x    -3.1250   -0.0255   -0.0212   -0.0254    0.0910   -3.0537    0.0298   -0.0244    0.0084    0.0018
x    -0.0954   -0.0029    0.0035   -0.0031    0.0022   -0.0242    0.0000    0.0000   -0.0001    0.0001
x    -0.0035   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0399    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0035    0.0000    0.0004    0.0007    0.0028   -0.0985   -0.0317    0.0620    0.0183
y     0.0233   -3.2428   -0.1783    0.1700   -2.4132   -0.6649
z   204.0399    1.7391    0.2894    0.0891   -0.0013    0.0777   -0.0019    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1048    0.0015   -0.0010   -0.0001    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0013   -0.0001    0.0001    0.0000
z    -0.0001    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  -16.6959
z     0.1385    0.2300   -0.0310    0.0576   -0.0903    0.0006
 total charge-density along one line
x   212.0000  -10.0867    5.9315   -1.9416   -0.4213   19.2955   -0.6586    0.2078    0.0670   -0.1069
x    -2.7050   -0.0092    0.0011   -0.0443    0.0966   -2.3450    0.0473   -0.0345    0.0118    0.0024
x    -0.0855   -0.0054    0.0083   -0.0079    0.0054   -0.0375    0.0000   -0.0001    0.0003   -0.0004
x    -0.0054    0.0000   -0.0002    0.0001    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  -10.0867    5.9315   -1.9416   -0.4213   19.2955   -0.6586    0.2078    0.0670   -0.1069
y    -2.7050   -0.0092    0.0011   -0.0443    0.0966   -2.3450    0.0473   -0.0345    0.0118    0.0024
y    -0.0855   -0.0054    0.0083   -0.0079    0.0054   -0.0375    0.0000   -0.0001    0.0003   -0.0004
y    -0.0054    0.0000   -0.0002    0.0001    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 -205.3081  188.8769 -170.1728  154.0892 -140.4066  126.5001 -111.0192   94.7498  -79.0860
z    64.7213  -51.7875   40.5544  -31.5053   24.7850  -19.8606   15.8620  -12.2151    8.9097   -6.2236
z     4.2923   -2.9597    1.9615   -1.1531    0.5427   -0.1573   -0.0608    0.2213   -0.3836    0.5186
z    -0.5686    0.5252   -0.4414    0.3769   -0.3478    0.3292   -0.2950    0.2452   -0.1976    0.1643
z    -0.1415    0.1197   -0.0959    0.0749   -0.0611    0.0533   -0.0469    0.0391   -0.0314    0.0258
z    -0.0227    0.0203   -0.0173    0.0141   -0.0113    0.0093   -0.0076    0.0058   -0.0043    0.0032
z    -0.0022    0.0013   -0.0004   -0.0002    0.0004   -0.0004    0.0005   -0.0008    0.0009   -0.0007
z     0.0004   -0.0002    0.0001   -0.0001    0.0000    0.0001   -0.0003    0.0003   -0.0004    0.0003
z    -0.0003    0.0003   -0.0002    0.0002   -0.0002    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001
z     0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 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
-10.941   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.269   0.000  -0.101   0.000   0.000   0.239   0.000
  0.041   0.000 -11.246   0.000  -0.024  -0.006   0.000   0.238
  0.000  -0.101   0.000 -11.153   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.938   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.238   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.226   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.199   0.000   0.000   0.000
  0.036   0.000   0.101   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.025   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.941   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.269   0.000  -0.101   0.000   0.000   0.239   0.000
  0.041   0.000 -11.246   0.000  -0.024  -0.006   0.000   0.238
  0.000  -0.101   0.000 -11.153   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.938   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.238   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.226   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.199   0.000   0.000   0.000
  0.036   0.000   0.101   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.025   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.960   0.000  -0.027   0.000   0.002   0.021   0.000   0.057   0.000  -0.014  -0.026   0.025   0.000  -0.001   0.000   0.000
  0.000   1.587   0.000  -0.146   0.000   0.000   0.594   0.000   0.259   0.000   0.000   0.000   0.160   0.000   0.106  -0.035
 -0.027   0.000   1.788   0.000   0.019   0.043   0.000   0.356   0.000  -0.026  -0.233  -0.044   0.000   0.096   0.000   0.000
  0.000  -0.146   0.000   1.755   0.000   0.000   0.259   0.000   0.295   0.000   0.000   0.000   0.108   0.000   0.038   0.005
  0.002   0.000   0.019   0.000   1.966  -0.014   0.000  -0.035   0.000   0.003   0.010  -0.015   0.000   0.003   0.000   0.000
  0.021   0.000   0.043   0.000  -0.014   0.063   0.000   0.101   0.000  -0.024   0.191  -0.052   0.000   0.116   0.000   0.000
  0.000   0.594   0.000   0.259   0.000   0.000   0.329   0.000   0.106   0.000   0.000   0.000   0.056   0.000   0.066  -0.011
  0.057   0.000   0.356   0.000  -0.035   0.101   0.000   0.566   0.000  -0.057   0.703  -0.293   0.000   0.087   0.000   0.000
  0.000   0.259   0.000   0.295   0.000   0.000   0.106   0.000   0.207   0.000   0.000   0.000   0.065   0.000  -0.020  -0.006
 -0.014   0.000  -0.026   0.000   0.003  -0.024   0.000  -0.057   0.000   0.036  -0.109   0.030   0.000  -0.068   0.000   0.000
 -0.026   0.000  -0.233   0.000   0.010   0.191   0.000   0.703   0.000  -0.109   1.352  -0.433   0.000   0.265   0.000   0.000
  0.025   0.000  -0.044   0.000  -0.015  -0.052   0.000  -0.293   0.000   0.030  -0.433   0.193   0.000  -0.034   0.000   0.000
  0.000   0.160   0.000   0.108   0.000   0.000   0.056   0.000   0.065   0.000   0.000   0.000   0.043   0.000   0.012  -0.004
 -0.001   0.000   0.096   0.000   0.003   0.116   0.000   0.087   0.000  -0.068   0.265  -0.034   0.000   0.311   0.000   0.000
  0.000   0.106   0.000   0.038   0.000   0.000   0.066   0.000  -0.020   0.000   0.000   0.000   0.012   0.000   0.031  -0.002
  0.000  -0.035   0.000   0.005   0.000   0.000  -0.011   0.000  -0.006   0.000   0.000   0.000  -0.004   0.000  -0.002   0.001
  0.001   0.000  -0.037   0.000  -0.001  -0.005   0.000  -0.009   0.000   0.003  -0.007   0.000   0.000  -0.014   0.000   0.000
  0.000   0.005   0.000  -0.041   0.000   0.000  -0.006   0.000  -0.004   0.000   0.000   0.000  -0.002   0.000  -0.002   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        0.639   0.278   8.027   8.943
  2        0.514   0.028   0.000   0.542
  3        0.514   0.028   0.000   0.542
  4        0.864   1.783   0.000   2.647
  5        0.864   1.783   0.000   2.646
  6        0.864   1.782   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   1.783   0.000   2.647
 10        0.864   1.784   0.000   2.648
 11        0.863   1.783   0.000   2.646
 12        0.864   1.784   0.000   2.648
 13        0.864   1.783   0.000   2.646
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.863   1.777   0.000   2.640
 17        0.856   1.772   0.000   2.629
 18        0.864   1.784   0.000   2.647
 19        0.864   1.782   0.000   2.646
 20        0.864   1.782   0.000   2.645
 21        0.863   1.781   0.000   2.644
 22        0.863   1.776   0.000   2.639
 23        0.863   1.783   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   1.783   0.000   2.647
 29        0.864   1.783   0.000   2.646
 30        0.864   1.783   0.000   2.647
 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   1.782   0.000   2.646
 35        0.863   1.783   0.000   2.646
 36        0.863   1.776   0.000   2.639
 37        0.863   1.781   0.000   2.644
 38        0.864   1.782   0.000   2.645
 39        0.864   1.784   0.000   2.648
 40        0.864   1.784   0.000   2.647
 41        0.856   1.772   0.000   2.629
 42        0.863   1.777   0.000   2.640
 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   2.646
 46        0.864   1.784   0.000   2.648
 47        0.863   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   1.783   0.000   2.647
 51        0.864   1.784   0.000   2.648
 52        0.864   1.782   0.000   2.646
 53        0.864   1.783   0.000   2.646
------------------------------------------------
tot       44.832  89.435   8.027 142.293
 


 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   90.57: CPU time   45.63
    FORLOC:  VPU time    1.10: CPU time    1.09
    FORNL :  VPU time  364.22: CPU time  182.48
    STRESS:  VPU time 1096.13: CPU time  550.73
    FORCOR:  VPU time    7.44: CPU time    7.44
    FORHAR:  VPU time    1.97: CPU time    1.97
    MIXING:  VPU time    0.14: CPU time    0.13
 d Force = 0.1330722E-06[ 0.135E-06, 0.131E-06]  d Energy = 0.1502249E-06-0.172E-07
 d Force = 0.2639493E-02[ 0.264E-02, 0.264E-02]  d Ewald  =-0.4355994E-02 0.700E-02


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.644753 eV

  energy  without entropy=     -471.644753  energy(sigma->0) =     -471.644753
 

  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    40729.60  40746.33 -47430.96     14.49      0.00      0.00
  Hartree  40195.71  40199.51 -39450.13      3.29      0.00      0.00
  E(xc)     -779.74   -779.55   -807.27      0.17      0.00      0.00
  Local   -83218.56 -83232.96  84198.54    -12.47      0.00      0.00
  n-local   -215.77   -215.66   -203.79     -0.16      0.00      0.00
  augment     22.10     20.53     17.35     -1.35      0.00      0.00
  Kinetic   3168.71   3171.42   3582.14     -6.11      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.25     -0.22     -0.19      0.03      0.00      0.00
  in kB       -0.15     -0.13     -0.11      0.02      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
    12.347717993  0.001568957  0.000000000     0.080980685  0.046740569  0.000000000
    -6.172506882 10.694217990  0.000000000    -0.000011881  0.093501616  0.000000000
     0.000000000  0.000000000 19.976407243     0.000000000  0.000000000  0.050059052

  length of vectors
    12.347718092 12.347717993 19.976407243     0.093501616  0.093501617  0.050059052


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.417E-05 -.456E-04 -.960E+03   0.435E-05 -.275E-04 0.968E+03   0.550E-23 0.000E+00 -.786E+01   0.191E-07 -.111E-07 0.169E-03
   -.175E+02 -.304E+02 -.136E+03   0.184E+02 0.318E+02 0.139E+03   -.829E+00 -.144E+01 -.258E+01   -.682E-05 -.129E-04 -.309E-05
   0.175E+02 0.304E+02 -.136E+03   -.184E+02 -.318E+02 0.139E+03   0.829E+00 0.144E+01 -.258E+01   0.683E-05 0.129E-04 -.309E-05
   -.197E+01 0.114E+01 0.169E+02   0.198E+01 -.114E+01 -.169E+02   -.873E-02 0.504E-02 -.693E-02   0.544E-04 -.343E-04 0.151E-04
   0.579E+01 0.691E+01 0.196E+02   -.580E+01 -.695E+01 -.196E+02   0.634E-02 0.328E-01 -.208E-01   0.560E-04 -.464E-04 0.117E-04
   0.113E+02 0.504E+01 0.183E+02   -.113E+02 -.505E+01 -.183E+02   0.232E-01 0.886E-02 -.557E-01   0.415E-04 -.173E-04 0.438E-05
   0.453E+01 -.103E+01 0.164E+02   -.455E+01 0.104E+01 -.164E+02   0.201E-01 -.170E-01 -.283E-02   0.465E-04 -.302E-04 0.646E-05
   -.293E+01 -.240E+01 0.149E+02   0.294E+01 0.241E+01 -.149E+02   -.142E-01 -.149E-01 -.256E-02   0.555E-04 -.434E-04 0.120E-04
   0.612E+00 0.373E+01 0.149E+02   -.617E+00 -.375E+01 -.149E+02   0.577E-02 0.197E-01 -.256E-02   0.599E-04 -.324E-04 0.839E-05
   0.274E+01 0.182E+02 0.245E+02   -.275E+01 -.183E+02 -.245E+02   0.101E-01 0.112E+00 -.107E-01   0.546E-04 -.218E-04 -.512E-05
   0.215E+02 0.227E+02 0.400E+02   -.216E+02 -.229E+02 -.400E+02   0.117E+00 0.228E+00 -.146E-01   0.294E-04 -.527E-04 -.411E-04
   0.265E+02 -.450E+01 0.271E+02   -.268E+02 0.461E+01 -.270E+02   0.237E+00 -.120E+00 -.557E-01   0.358E-04 -.397E-04 0.183E-05
   0.916E+01 -.529E+01 0.154E+02   -.918E+01 0.530E+01 -.155E+02   0.190E-01 -.110E-01 0.133E-02   0.655E-04 -.441E-04 0.962E-05
   0.316E+01 -.341E+01 0.164E+02   -.318E+01 0.342E+01 -.164E+02   0.248E-01 -.890E-02 -.283E-02   0.472E-04 -.293E-04 -.195E-05
   -.604E+01 0.132E+02 0.201E+02   0.605E+01 -.133E+02 -.201E+02   -.624E-02 0.756E-01 -.771E-02   0.534E-04 -.286E-04 -.922E-05
   -.123E+02 0.335E+02 0.462E+02   0.124E+02 -.342E+02 -.465E+02   -.903E-01 0.681E+00 0.352E+00   0.822E-04 -.481E-04 -.158E-04
   0.265E+02 -.153E+02 0.696E+02   -.275E+02 0.159E+02 -.717E+02   0.977E+00 -.564E+00 0.210E+01   0.300E-04 -.200E-04 0.279E-04
   0.172E+02 -.207E+02 0.271E+02   -.174E+02 0.209E+02 -.270E+02   0.222E+00 -.145E+00 -.557E-01   0.501E-04 -.187E-04 -.302E-05
   0.126E+01 -.123E+02 0.183E+02   -.127E+01 0.123E+02 -.183E+02   0.391E-02 -.245E-01 -.557E-01   0.388E-04 -.284E-04 -.112E-05
   -.387E+01 0.156E+01 0.144E+02   0.387E+01 -.157E+01 -.143E+02   -.678E-02 0.244E-02 -.404E-01   0.480E-04 -.386E-04 0.411E-05
   -.182E+02 0.105E+02 0.210E+02   0.183E+02 -.106E+02 -.209E+02   -.634E-01 0.366E-01 -.128E+00   0.752E-04 -.398E-04 0.104E-04
   -.352E+02 -.611E+01 0.462E+02   0.358E+02 0.637E+01 -.465E+02   -.635E+00 -.262E+00 0.352E+00   0.860E-04 -.479E-04 -.127E-04
   -.889E+01 -.299E+02 0.400E+02   0.903E+01 0.301E+02 -.400E+02   -.139E+00 -.215E+00 -.146E-01   0.635E-04 -.362E-05 -.430E-04
   -.309E+01 -.847E+01 0.196E+02   0.312E+01 0.849E+01 -.196E+02   -.252E-01 -.219E-01 -.208E-01   0.699E-04 -.273E-04 0.110E-04
   0.126E+01 -.730E+00 0.146E+02   -.126E+01 0.729E+00 -.146E+02   -.163E-02 0.940E-03 -.316E-01   0.578E-04 -.313E-04 0.127E-04
   -.329E+01 0.257E+01 0.144E+02   0.329E+01 -.257E+01 -.143E+02   -.550E-02 0.466E-02 -.404E-01   0.592E-04 -.177E-04 0.887E-05
   -.144E+02 -.136E+01 0.201E+02   0.145E+02 0.139E+01 -.201E+02   -.686E-01 -.324E-01 -.771E-02   0.532E-04 -.335E-04 -.153E-05
   -.144E+02 -.115E+02 0.245E+02   0.145E+02 0.115E+02 -.245E+02   -.916E-01 -.646E-01 -.107E-01   0.479E-04 -.416E-04 -.220E-05
   0.309E+01 0.847E+01 0.196E+02   -.312E+01 -.849E+01 -.196E+02   0.252E-01 0.219E-01 -.208E-01   -.699E-04 0.273E-04 0.110E-04
   0.144E+02 0.115E+02 0.245E+02   -.145E+02 -.115E+02 -.245E+02   0.916E-01 0.646E-01 -.107E-01   -.479E-04 0.416E-04 -.220E-05
   0.144E+02 0.136E+01 0.201E+02   -.145E+02 -.139E+01 -.201E+02   0.686E-01 0.324E-01 -.771E-02   -.532E-04 0.335E-04 -.153E-05
   0.329E+01 -.257E+01 0.144E+02   -.329E+01 0.257E+01 -.143E+02   0.550E-02 -.466E-02 -.404E-01   -.592E-04 0.177E-04 0.887E-05
   -.126E+01 0.730E+00 0.146E+02   0.126E+01 -.729E+00 -.146E+02   0.163E-02 -.940E-03 -.316E-01   -.578E-04 0.313E-04 0.127E-04
   -.126E+01 0.123E+02 0.183E+02   0.127E+01 -.123E+02 -.183E+02   -.391E-02 0.245E-01 -.557E-01   -.388E-04 0.284E-04 -.112E-05
   0.889E+01 0.299E+02 0.400E+02   -.903E+01 -.301E+02 -.400E+02   0.139E+00 0.215E+00 -.146E-01   -.635E-04 0.361E-05 -.430E-04
   0.352E+02 0.611E+01 0.462E+02   -.358E+02 -.637E+01 -.465E+02   0.635E+00 0.262E+00 0.352E+00   -.860E-04 0.479E-04 -.127E-04
   0.182E+02 -.105E+02 0.210E+02   -.183E+02 0.106E+02 -.209E+02   0.634E-01 -.366E-01 -.128E+00   -.752E-04 0.398E-04 0.104E-04
   0.387E+01 -.156E+01 0.144E+02   -.387E+01 0.157E+01 -.143E+02   0.678E-02 -.244E-02 -.404E-01   -.480E-04 0.386E-04 0.411E-05
   -.316E+01 0.341E+01 0.164E+02   0.318E+01 -.342E+01 -.164E+02   -.248E-01 0.890E-02 -.283E-02   -.472E-04 0.294E-04 -.195E-05
   -.172E+02 0.207E+02 0.271E+02   0.174E+02 -.209E+02 -.270E+02   -.222E+00 0.145E+00 -.557E-01   -.501E-04 0.187E-04 -.302E-05
   -.265E+02 0.153E+02 0.696E+02   0.275E+02 -.159E+02 -.717E+02   -.977E+00 0.564E+00 0.210E+01   -.299E-04 0.200E-04 0.279E-04
   0.123E+02 -.335E+02 0.462E+02   -.124E+02 0.342E+02 -.465E+02   0.903E-01 -.681E+00 0.352E+00   -.822E-04 0.481E-04 -.158E-04
   0.604E+01 -.132E+02 0.201E+02   -.605E+01 0.133E+02 -.201E+02   0.624E-02 -.756E-01 -.771E-02   -.534E-04 0.286E-04 -.922E-05
   -.612E+00 -.373E+01 0.149E+02   0.617E+00 0.375E+01 -.149E+02   -.577E-02 -.197E-01 -.256E-02   -.599E-04 0.324E-04 0.839E-05
   -.916E+01 0.529E+01 0.154E+02   0.918E+01 -.530E+01 -.155E+02   -.190E-01 0.110E-01 0.133E-02   -.655E-04 0.441E-04 0.962E-05
   -.265E+02 0.450E+01 0.271E+02   0.268E+02 -.462E+01 -.270E+02   -.237E+00 0.120E+00 -.557E-01   -.358E-04 0.397E-04 0.183E-05
   -.215E+02 -.227E+02 0.400E+02   0.216E+02 0.229E+02 -.400E+02   -.117E+00 -.228E+00 -.146E-01   -.294E-04 0.527E-04 -.411E-04
   -.274E+01 -.182E+02 0.245E+02   0.275E+01 0.183E+02 -.245E+02   -.101E-01 -.112E+00 -.107E-01   -.546E-04 0.218E-04 -.512E-05
   0.197E+01 -.114E+01 0.169E+02   -.198E+01 0.114E+01 -.169E+02   0.873E-02 -.504E-02 -.693E-02   -.544E-04 0.343E-04 0.151E-04
   0.293E+01 0.240E+01 0.149E+02   -.294E+01 -.241E+01 -.149E+02   0.142E-01 0.149E-01 -.256E-02   -.555E-04 0.434E-04 0.120E-04
   -.453E+01 0.103E+01 0.164E+02   0.455E+01 -.105E+01 -.164E+02   -.201E-01 0.170E-01 -.283E-02   -.465E-04 0.302E-04 0.646E-05
   -.113E+02 -.504E+01 0.183E+02   0.113E+02 0.505E+01 -.183E+02   -.232E-01 -.886E-02 -.557E-01   -.415E-04 0.173E-04 0.438E-05
   -.579E+01 -.691E+01 0.196E+02   0.580E+01 0.695E+01 -.196E+02   -.634E-02 -.328E-01 -.208E-01   -.560E-04 0.463E-04 0.117E-04
 -----------------------------------------------------------------------------------------------
   -.182E-02 0.307E-03 0.858E+01   -.107E-13 0.272E-12 -.689E-12   -.279E-15 0.694E-16 -.859E+01   0.189E-07 -.110E-07 0.178E-03
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85292      6.06074     12.33228         0.000000      0.000000      0.011425
      2.26015      6.76607     13.65162         0.005813      0.010068      0.013134
      1.44570      5.35541     13.65162        -0.005813     -0.010068      0.013134
      0.00054     -0.00031      9.95768         0.000718     -0.000414     -0.003462
     11.11241      2.13925      9.95949         0.000733     -0.002218     -0.004124
      9.87689      4.27877      9.97099        -0.002467      0.000225     -0.001326
      8.64350      6.41812      9.96991        -0.000594      0.001183     -0.000144
     -4.93640      8.55547      9.96578         0.000247     -0.000473     -0.002260
      2.47026     -0.00113      9.96578         0.000534      0.000023     -0.002260
      1.23471      2.13600      9.97071         0.001309      0.003476     -0.002365
     -0.00401      4.27487      9.99868         0.000473     -0.003474      0.003577
     -1.23853      6.41597     10.00466         0.000107     -0.001636      0.002413
     -2.46727      8.55500      9.97820         0.002835     -0.001637     -0.000936
      4.93871      0.00124      9.96991        -0.001322     -0.000077     -0.000144
      3.70496      2.13640      9.97770        -0.001562      0.002117      0.001984
      2.47074      4.26298     10.04229         0.002624      0.000801      0.002309
      1.22831      6.42136     10.11469         0.003599     -0.002078     -0.008433
     -0.00045      8.56040     10.00466         0.001470      0.000726      0.002413
      7.40814      0.00276      9.97099        -0.001428      0.002024     -0.001326
      6.17355      2.14001      9.97107        -0.000363     -0.000970     -0.000974
      4.94044      4.27816      9.99907         0.001741     -0.001005     -0.001431
      3.71873      6.42457     10.04229         0.000618     -0.002673      0.002309
      2.47106      8.56182      9.99868         0.003245      0.001327      0.003577
      9.87877      0.00253      9.95949         0.002287      0.000474     -0.004124
      8.64287      2.14056      9.96228         0.000343     -0.000198     -0.002763
      7.40869      4.27933      9.97107         0.000658      0.000799     -0.000974
      6.17752      6.41900      9.97770        -0.002614      0.000295      0.001984
      4.94274      8.55850      9.97071        -0.002356     -0.002872     -0.002365
     -0.00042      1.42472      9.95949        -0.002287     -0.000474     -0.004124
     -1.23689      3.56298      9.97071         0.002356      0.002872     -0.002365
     -2.47167      5.70248      9.97770         0.002614     -0.000295      0.001984
     -3.70284      7.84215      9.97107        -0.000658     -0.000799     -0.000974
     -4.93702      9.98091      9.96228        -0.000343      0.000198     -0.002763
      2.47022      1.42449      9.97099         0.001428     -0.002024     -0.001326
      1.23479      3.55965      9.99868        -0.003245     -0.001327      0.003577
     -0.01288      5.69690     10.04229        -0.000618      0.002673      0.002309
     -1.23459      7.84331      9.99907        -0.001741      0.001005     -0.001431
     -2.46771      9.98146      9.97107         0.000363      0.000970     -0.000974
      4.93964      1.42602      9.96991         0.001322      0.000077     -0.000144
      3.70630      3.56108     10.00466        -0.001470     -0.000726      0.002413
      2.47754      5.70011     10.11469        -0.003599      0.002078     -0.008433
      1.23511      7.85849     10.04229        -0.002624     -0.000801      0.002309
      0.00089      9.98507      9.97770         0.001562     -0.002117      0.001984
      7.40809      1.42838      9.96578        -0.000534     -0.000023     -0.002260
      6.17312      3.56648      9.97820        -0.002835      0.001637     -0.000936
      4.94438      5.70550     10.00466        -0.000107      0.001636      0.002413
      3.70986      7.84660      9.99868        -0.000473      0.003474      0.003577
      2.47114      9.98548      9.97071        -0.001309     -0.003476     -0.002365
      9.87781      1.42757      9.95768        -0.000718      0.000414     -0.003462
      8.64224      3.56600      9.96578        -0.000247      0.000473     -0.002260
      7.41007      5.70492      9.96991         0.000594     -0.001183     -0.000144
      6.17667      7.84427      9.97099         0.002467     -0.000225     -0.001326
      4.94116      9.98379      9.95949        -0.000733      0.002218     -0.004124
 -----------------------------------------------------------------------------------
    total drift:                               -0.001815      0.000307     -0.011983


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




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


    WAVPRE:  VPU time    1.68: 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  150.86: CPU time   75.53
     LOOP+:  VPU time 3938.32: CPU time 2009.95


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


    POTLOK:  VPU time    7.90: CPU time    7.77
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1052.86: CPU time  538.28
 BZINTS: Fermi energy: -3.151516;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   90.47: CPU time   45.60
    MIXING:  VPU time    0.12: CPU time    0.12
    ------------------------------------------
      LOOP:  VPU time 1151.70: CPU time  592.08

 eigenvalue-minimisations  :  3704
 total energy-change (2. order) :-0.4716448E+03  (-0.7958277E-08)
 number of electron  212.0000029 magnetization    0.0000000
 augmentation part     7.9600526 magnetization   -0.0000001

 Broyden mixing:
  rms(total) = 0.19910E-04    rms(broyden)= 0.19907E-04
  rms(prec ) = 0.21490E-04
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34044.98563128
  -1/2 Hartree   DENC   =    -40945.09478420
  -V(xc)+E(xc)   XCENC  =       726.60849995
  PAW double counting   =      4092.87193772    -4131.25658440
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.19930641
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64475246 eV

  energy without entropy =     -471.64475246  energy(sigma->0) =     -471.64475246


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




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


    POTLOK:  VPU time    7.77: CPU time    7.77
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1029.87: CPU time  525.92
 BZINTS: Fermi energy: -3.151441;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1037.99: CPU time  534.01

 eigenvalue-minimisations  :  3568
 total energy-change (2. order) :-0.2510205E-07  ( 0.8357823E-09)
 number of electron  212.0000029 magnetization    0.0000000
 augmentation part     7.9600526 magnetization   -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34044.98563128
  -1/2 Hartree   DENC   =    -40945.09541555
  -V(xc)+E(xc)   XCENC  =       726.60851070
  PAW double counting   =      4092.87220157    -4131.25684467
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.19868942
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64475249 eV

  energy without entropy =     -471.64475249  energy(sigma->0) =     -471.64475249


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




 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 -58.5416       2 -39.9851       3 -39.9851       4 -58.2440       5 -58.2485
       6 -58.2557       7 -58.2466       8 -58.2447       9 -58.2447      10 -58.2606
      11 -58.3154      12 -58.2922      13 -58.2497      14 -58.2465      15 -58.2575
      16 -58.4378      17 -58.7319      18 -58.2923      19 -58.2557      20 -58.2501
      21 -58.2772      22 -58.4378      23 -58.3154      24 -58.2485      25 -58.2434
      26 -58.2501      27 -58.2575      28 -58.2606      29 -58.2484      30 -58.2605
      31 -58.2574      32 -58.2500      33 -58.2433      34 -58.2556      35 -58.3153
      36 -58.4378      37 -58.2772      38 -58.2500      39 -58.2464      40 -58.2921
      41 -58.7318      42 -58.4378      43 -58.2574      44 -58.2446      45 -58.2496
      46 -58.2921      47 -58.3153      48 -58.2605      49 -58.2439      50 -58.2446
      51 -58.2464      52 -58.2556      53 -58.2484
 
 
 
 E-fermi :  -3.1514     XC(G=0):  -2.3395     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     -22.3559      1.00000
      2     -21.5364      1.00000
      3     -21.4064      1.00000
      4     -21.4055      1.00000
      5     -21.3743      1.00000
      6     -21.3652      1.00000
      7     -21.3579      1.00000
      8     -19.6459      1.00000
      9     -19.5717      1.00000
     10     -19.5646      1.00000
     11     -19.5581      1.00000
     12     -19.5397      1.00000
     13     -19.5368      1.00000
     14     -18.7278      1.00000
     15     -18.6793      1.00000
     16     -18.6717      1.00000
     17     -18.6581      1.00000
     18     -18.6425      1.00000
     19     -18.6408      1.00000
     20     -16.5857      1.00000
     21     -16.5262      1.00000
     22     -16.5236      1.00000
     23     -16.5104      1.00000
     24     -16.4865      1.00000
     25     -16.4846      1.00000
     26     -15.5581      1.00000
     27     -15.5259      1.00000
     28     -15.5250      1.00000
     29     -15.4995      1.00000
     30     -15.4942      1.00000
     31     -15.4884      1.00000
     32     -14.2062      1.00000
     33     -14.1800      1.00000
     34     -14.1667      1.00000
     35     -14.1646      1.00000
     36     -14.1595      1.00000
     37     -14.1481      1.00000
     38     -11.8842      1.00000
     39     -11.8076      1.00000
     40     -11.7919      1.00000
     41     -11.7915      1.00000
     42     -11.7883      1.00000
     43     -11.7827      1.00000
     44     -11.7042      1.00000
     45     -11.6976      1.00000
     46     -11.6724      1.00000
     47     -11.6572      1.00000
     48     -11.6571      1.00000
     49     -11.6502      1.00000
     50     -10.6748      1.00000
     51     -10.3287      1.00000
     52     -10.3209      1.00000
     53     -10.3053      1.00000
     54     -10.3036      1.00000
     55     -10.2905      1.00000
     56     -10.2773      1.00000
     57      -9.9286      1.00000
     58      -9.3726      1.00000
     59      -9.3589      1.00000
     60      -9.2997      1.00000
     61      -9.2915      1.00000
     62      -9.2846      1.00000
     63      -9.0921      1.00000
     64      -9.0538      1.00000
     65      -9.0489      1.00000
     66      -9.0265      1.00000
     67      -9.0065      1.00000
     68      -9.0014      1.00000
     69      -9.0002      1.00000
     70      -8.9946      1.00000
     71      -8.9915      1.00000
     72      -8.9725      1.00000
     73      -8.9644      1.00000
     74      -8.9534      1.00000
     75      -8.5012      1.00000
     76      -7.5155      1.00000
     77      -7.4102      1.00000
     78      -7.4100      1.00000
     79      -7.4011      1.00000
     80      -7.3836      1.00000
     81      -7.3636      1.00000
     82      -7.3412      1.00000
     83      -7.3079      1.00000
     84      -7.2688      1.00000
     85      -7.2062      1.00000
     86      -7.1796      1.00000
     87      -7.1793      1.00000
     88      -7.0749      1.00000
     89      -6.5096      1.00000
     90      -6.4611      1.00000
     91      -6.3548      1.00000
     92      -6.2929      1.00000
     93      -6.2873      1.00000
     94      -6.2860      1.00000
     95      -5.8968      1.00000
     96      -5.8845      1.00000
     97      -5.0507      1.00000
     98      -4.9380      1.00000
     99      -4.5398      1.00000
    100      -4.3401      1.00000
    101      -4.3177      1.00000
    102      -4.3167      1.00000
    103      -4.1152      1.00000
    104      -3.9131      1.00000
    105      -3.9012      1.00000
    106      -3.8352      1.00000
    107      -1.6812      0.00000
    108      -1.6676      0.00000
    109      -1.5367      0.00000
    110      -1.5350      0.00000
    111      -1.5218      0.00000
    112      -1.5088      0.00000
    113      -0.5841      0.00000
    114       0.1342      0.00000
    115       0.2059      0.00000
    116       0.3248      0.00000
    117       0.3270      0.00000
    118       0.3343      0.00000
    119       0.4966      0.00000
    120       0.5982      0.00000
    121       1.2597      0.00000
    122       1.2765      0.00000
    123       1.5322      0.00000
    124       1.7957      0.00000
    125       1.8055      0.00000
    126       1.8088      0.00000
    127       1.8138      0.00000
    128       1.9466      0.00000
    129       1.9824      0.00000
    130       2.0321      0.00000
    131       2.0455      0.00000
    132       2.0508      0.00000
    133       2.0554      0.00000
    134       2.0624      0.00000
    135       2.3105      0.00000
    136       2.3253      0.00000
    137       2.6175      0.00000
    138       2.6250      0.00000
    139       2.6548      0.00000
    140       2.7331      0.00000
    141       2.8639      0.00000
    142       3.0260      0.00000
    143       3.0537      0.00000
    144       3.0892      0.00000
    145       3.1023      0.00000
    146       3.1035      0.00000
    147       3.1043      0.00000
    148       3.2391      0.00000
    149       3.4536      0.00000
    150       3.5418      0.00000
    151       3.7874      0.00000
    152       3.9463      0.00000
    153       3.9533      0.00000
    154       3.9615      0.00000
    155       3.9682      0.00000
    156       3.9993      0.00000
    157       4.1851      0.00000
    158       4.2739      0.00000
    159       4.2896      0.00000
    160       4.2896      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3193      1.00000
      2     -21.7608      1.00000
      3     -21.5701      1.00000
      4     -21.5372      1.00000
      5     -21.2073      1.00000
      6     -21.1622      1.00000
      7     -20.9866      1.00000
      8     -20.1012      1.00000
      9     -20.0570      1.00000
     10     -19.5458      1.00000
     11     -19.5210      1.00000
     12     -19.3486      1.00000
     13     -19.0243      1.00000
     14     -18.9890      1.00000
     15     -18.9809      1.00000
     16     -18.9685      1.00000
     17     -18.2969      1.00000
     18     -18.2775      1.00000
     19     -17.9515      1.00000
     20     -17.0093      1.00000
     21     -16.9590      1.00000
     22     -16.8781      1.00000
     23     -16.8683      1.00000
     24     -16.4044      1.00000
     25     -16.3896      1.00000
     26     -15.5514      1.00000
     27     -15.5354      1.00000
     28     -15.1973      1.00000
     29     -15.1685      1.00000
     30     -15.1142      1.00000
     31     -15.0271      1.00000
     32     -15.0025      1.00000
     33     -14.6358      1.00000
     34     -14.6239      1.00000
     35     -13.6670      1.00000
     36     -13.6515      1.00000
     37     -13.1692      1.00000
     38     -12.5507      1.00000
     39     -12.5174      1.00000
     40     -12.3906      1.00000
     41     -12.3774      1.00000
     42     -12.0571      1.00000
     43     -12.0340      1.00000
     44     -11.6591      1.00000
     45     -11.6166      1.00000
     46     -11.1806      1.00000
     47     -11.1564      1.00000
     48     -10.9649      1.00000
     49     -10.9402      1.00000
     50     -10.8734      1.00000
     51     -10.8368      1.00000
     52     -10.6029      1.00000
     53     -10.0937      1.00000
     54     -10.0883      1.00000
     55     -10.0466      1.00000
     56      -9.9704      1.00000
     57      -9.6541      1.00000
     58      -9.6289      1.00000
     59      -9.5915      1.00000
     60      -9.5292      1.00000
     61      -9.5105      1.00000
     62      -9.4784      1.00000
     63      -9.2645      1.00000
     64      -9.2408      1.00000
     65      -9.2205      1.00000
     66      -9.1657      1.00000
     67      -9.0680      1.00000
     68      -9.0464      1.00000
     69      -9.0404      1.00000
     70      -8.8824      1.00000
     71      -8.8059      1.00000
     72      -8.5787      1.00000
     73      -8.5220      1.00000
     74      -8.4614      1.00000
     75      -8.0349      1.00000
     76      -7.8119      1.00000
     77      -7.8068      1.00000
     78      -7.7923      1.00000
     79      -7.6996      1.00000
     80      -7.6904      1.00000
     81      -7.3644      1.00000
     82      -7.2735      1.00000
     83      -7.2640      1.00000
     84      -7.2159      1.00000
     85      -7.1726      1.00000
     86      -7.0083      1.00000
     87      -6.9470      1.00000
     88      -6.7471      1.00000
     89      -6.6720      1.00000
     90      -6.5938      1.00000
     91      -6.5589      1.00000
     92      -6.0504      1.00000
     93      -6.0474      1.00000
     94      -6.0216      1.00000
     95      -5.9582      1.00000
     96      -5.7362      1.00000
     97      -5.1580      1.00000
     98      -4.9905      1.00000
     99      -4.7187      1.00000
    100      -4.6105      1.00000
    101      -4.4401      1.00000
    102      -4.3739      1.00000
    103      -4.1225      1.00000
    104      -3.8683      1.00000
    105      -3.8350      1.00000
    106      -3.7904      1.00000
    107      -1.7850      0.00000
    108      -1.7382      0.00000
    109      -1.3942      0.00000
    110      -1.3459      0.00000
    111      -1.2638      0.00000
    112      -1.2257      0.00000
    113      -0.7445      0.00000
    114      -0.3787      0.00000
    115      -0.2199      0.00000
    116      -0.0176      0.00000
    117       0.5922      0.00000
    118       0.7373      0.00000
    119       0.7642      0.00000
    120       1.0501      0.00000
    121       1.1418      0.00000
    122       1.2513      0.00000
    123       1.2737      0.00000
    124       1.4160      0.00000
    125       1.4815      0.00000
    126       1.5905      0.00000
    127       1.7589      0.00000
    128       1.8419      0.00000
    129       1.8972      0.00000
    130       1.9601      0.00000
    131       2.1088      0.00000
    132       2.2397      0.00000
    133       2.2514      0.00000
    134       2.3000      0.00000
    135       2.4909      0.00000
    136       2.6200      0.00000
    137       2.6399      0.00000
    138       2.7706      0.00000
    139       2.8049      0.00000
    140       2.8577      0.00000
    141       2.8685      0.00000
    142       2.8933      0.00000
    143       2.9605      0.00000
    144       3.0885      0.00000
    145       3.2841      0.00000
    146       3.3125      0.00000
    147       3.3768      0.00000
    148       3.4093      0.00000
    149       3.4703      0.00000
    150       3.5929      0.00000
    151       3.6403      0.00000
    152       3.6729      0.00000
    153       3.7107      0.00000
    154       3.9113      0.00000
    155       3.9468      0.00000
    156       3.9850      0.00000
    157       4.0907      0.00000
    158       4.2092      0.00000
    159       4.2486      0.00000
    160       4.3012      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2137      1.00000
      2     -22.0074      1.00000
      3     -21.6488      1.00000
      4     -21.6116      1.00000
      5     -20.9126      1.00000
      6     -20.8660      1.00000
      7     -20.5453      1.00000
      8     -20.5057      1.00000
      9     -20.4953      1.00000
     10     -19.9630      1.00000
     11     -19.4420      1.00000
     12     -19.4148      1.00000
     13     -19.2412      1.00000
     14     -19.2266      1.00000
     15     -18.3837      1.00000
     16     -18.3393      1.00000
     17     -17.8596      1.00000
     18     -17.8385      1.00000
     19     -17.6975      1.00000
     20     -17.6548      1.00000
     21     -17.3717      1.00000
     22     -17.3556      1.00000
     23     -17.2739      1.00000
     24     -16.4009      1.00000
     25     -16.3861      1.00000
     26     -15.8960      1.00000
     27     -15.3522      1.00000
     28     -15.3367      1.00000
     29     -15.0344      1.00000
     30     -15.0204      1.00000
     31     -14.7993      1.00000
     32     -14.7744      1.00000
     33     -14.2215      1.00000
     34     -14.1895      1.00000
     35     -13.3706      1.00000
     36     -13.3369      1.00000
     37     -13.1196      1.00000
     38     -13.1020      1.00000
     39     -12.9159      1.00000
     40     -12.9023      1.00000
     41     -12.5565      1.00000
     42     -12.5384      1.00000
     43     -12.1328      1.00000
     44     -11.5219      1.00000
     45     -11.4735      1.00000
     46     -11.2536      1.00000
     47     -11.2195      1.00000
     48     -11.0793      1.00000
     49     -10.6603      1.00000
     50     -10.5883      1.00000
     51     -10.5239      1.00000
     52     -10.2573      1.00000
     53     -10.2486      1.00000
     54     -10.1228      1.00000
     55     -10.0484      1.00000
     56     -10.0408      1.00000
     57      -9.7701      1.00000
     58      -9.7051      1.00000
     59      -9.6797      1.00000
     60      -9.6301      1.00000
     61      -9.6258      1.00000
     62      -9.5874      1.00000
     63      -9.2944      1.00000
     64      -9.2850      1.00000
     65      -9.2531      1.00000
     66      -9.0892      1.00000
     67      -8.8968      1.00000
     68      -8.8828      1.00000
     69      -8.7245      1.00000
     70      -8.5896      1.00000
     71      -8.5139      1.00000
     72      -8.3305      1.00000
     73      -8.3024      1.00000
     74      -8.2644      1.00000
     75      -8.2323      1.00000
     76      -8.1947      1.00000
     77      -8.1856      1.00000
     78      -8.1705      1.00000
     79      -8.1024      1.00000
     80      -7.6883      1.00000
     81      -7.3573      1.00000
     82      -7.3101      1.00000
     83      -7.2643      1.00000
     84      -7.1876      1.00000
     85      -7.1252      1.00000
     86      -7.0766      1.00000
     87      -6.9068      1.00000
     88      -6.8822      1.00000
     89      -6.5491      1.00000
     90      -6.4923      1.00000
     91      -6.2097      1.00000
     92      -6.0702      1.00000
     93      -5.9421      1.00000
     94      -5.7158      1.00000
     95      -5.6329      1.00000
     96      -5.4525      1.00000
     97      -5.3052      1.00000
     98      -5.2338      1.00000
     99      -5.1518      1.00000
    100      -5.1513      1.00000
    101      -4.5237      1.00000
    102      -4.4710      1.00000
    103      -4.1440      1.00000
    104      -3.8380      1.00000
    105      -3.7572      1.00000
    106      -3.6793      1.00000
    107      -1.8707      0.00000
    108      -1.8236      0.00000
    109      -1.2768      0.00000
    110      -1.0359      0.00000
    111      -1.0115      0.00000
    112      -0.7118      0.00000
    113      -0.6397      0.00000
    114      -0.5879      0.00000
    115      -0.5458      0.00000
    116      -0.2012      0.00000
    117       0.2528      0.00000
    118       0.2788      0.00000
    119       0.7627      0.00000
    120       0.9472      0.00000
    121       1.1331      0.00000
    122       1.2274      0.00000
    123       1.3216      0.00000
    124       1.4141      0.00000
    125       1.6033      0.00000
    126       1.6343      0.00000
    127       1.7046      0.00000
    128       1.8254      0.00000
    129       1.9241      0.00000
    130       2.0163      0.00000
    131       2.1098      0.00000
    132       2.3317      0.00000
    133       2.3971      0.00000
    134       2.4356      0.00000
    135       2.5459      0.00000
    136       2.6364      0.00000
    137       2.7571      0.00000
    138       2.8256      0.00000
    139       2.8353      0.00000
    140       2.8898      0.00000
    141       3.0468      0.00000
    142       3.0928      0.00000
    143       3.1909      0.00000
    144       3.2439      0.00000
    145       3.3917      0.00000
    146       3.4251      0.00000
    147       3.4861      0.00000
    148       3.5789      0.00000
    149       3.6055      0.00000
    150       3.6290      0.00000
    151       3.6536      0.00000
    152       3.7446      0.00000
    153       3.7750      0.00000
    154       3.7917      0.00000
    155       3.8097      0.00000
    156       3.9009      0.00000
    157       3.9811      0.00000
    158       4.0152      0.00000
    159       4.1804      0.00000
    160       4.2420      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2475      1.00000
      2     -21.8932      1.00000
      3     -21.8225      1.00000
      4     -21.3112      1.00000
      5     -21.2808      1.00000
      6     -20.7699      1.00000
      7     -20.7040      1.00000
      8     -20.5556      1.00000
      9     -20.0082      1.00000
     10     -20.0009      1.00000
     11     -19.6473      1.00000
     12     -19.6229      1.00000
     13     -18.9289      1.00000
     14     -18.9205      1.00000
     15     -18.5701      1.00000
     16     -18.5561      1.00000
     17     -18.3932      1.00000
     18     -17.6144      1.00000
     19     -17.5580      1.00000
     20     -17.5529      1.00000
     21     -17.5114      1.00000
     22     -17.0554      1.00000
     23     -17.0375      1.00000
     24     -16.8910      1.00000
     25     -15.9292      1.00000
     26     -15.8668      1.00000
     27     -15.5159      1.00000
     28     -15.5149      1.00000
     29     -15.2279      1.00000
     30     -14.7941      1.00000
     31     -14.7666      1.00000
     32     -14.5147      1.00000
     33     -14.4705      1.00000
     34     -14.1013      1.00000
     35     -14.0903      1.00000
     36     -13.0758      1.00000
     37     -13.0323      1.00000
     38     -12.9663      1.00000
     39     -12.9541      1.00000
     40     -12.6447      1.00000
     41     -12.6382      1.00000
     42     -12.2736      1.00000
     43     -12.2422      1.00000
     44     -11.5876      1.00000
     45     -11.5603      1.00000
     46     -11.5058      1.00000
     47     -10.9047      1.00000
     48     -10.8505      1.00000
     49     -10.6217      1.00000
     50     -10.5587      1.00000
     51     -10.4849      1.00000
     52     -10.4332      1.00000
     53     -10.4234      1.00000
     54     -10.3705      1.00000
     55     -10.2931      1.00000
     56     -10.0652      1.00000
     57      -9.8327      1.00000
     58      -9.5477      1.00000
     59      -9.4876      1.00000
     60      -9.4719      1.00000
     61      -9.3458      1.00000
     62      -9.3301      1.00000
     63      -9.3096      1.00000
     64      -9.3078      1.00000
     65      -9.2140      1.00000
     66      -9.1118      1.00000
     67      -9.0804      1.00000
     68      -9.0491      1.00000
     69      -8.8486      1.00000
     70      -8.7926      1.00000
     71      -8.7736      1.00000
     72      -8.5266      1.00000
     73      -8.4755      1.00000
     74      -8.2229      1.00000
     75      -8.1098      1.00000
     76      -8.0990      1.00000
     77      -7.8076      1.00000
     78      -7.7838      1.00000
     79      -7.7813      1.00000
     80      -7.6733      1.00000
     81      -7.6311      1.00000
     82      -7.6300      1.00000
     83      -7.4007      1.00000
     84      -7.3244      1.00000
     85      -7.2003      1.00000
     86      -6.8392      1.00000
     87      -6.8289      1.00000
     88      -6.6626      1.00000
     89      -6.5382      1.00000
     90      -6.3443      1.00000
     91      -6.3074      1.00000
     92      -6.1838      1.00000
     93      -6.1474      1.00000
     94      -5.9771      1.00000
     95      -5.5724      1.00000
     96      -5.4258      1.00000
     97      -5.2584      1.00000
     98      -5.2520      1.00000
     99      -5.1488      1.00000
    100      -4.6956      1.00000
    101      -4.6649      1.00000
    102      -4.3491      1.00000
    103      -4.3166      1.00000
    104      -3.9652      1.00000
    105      -3.8316      1.00000
    106      -3.3891      1.00000
    107      -2.2199      0.00000
    108      -1.3766      0.00000
    109      -1.2862      0.00000
    110      -1.1728      0.00000
    111      -1.0774      0.00000
    112      -0.8935      0.00000
    113      -0.7677      0.00000
    114      -0.7569      0.00000
    115      -0.2168      0.00000
    116       0.1138      0.00000
    117       0.2638      0.00000
    118       0.3461      0.00000
    119       0.7365      0.00000
    120       0.9039      0.00000
    121       0.9724      0.00000
    122       1.0959      0.00000
    123       1.2111      0.00000
    124       1.5311      0.00000
    125       1.5667      0.00000
    126       1.7194      0.00000
    127       1.8392      0.00000
    128       1.8629      0.00000
    129       1.9714      0.00000
    130       2.0035      0.00000
    131       2.1616      0.00000
    132       2.2726      0.00000
    133       2.4597      0.00000
    134       2.4714      0.00000
    135       2.5075      0.00000
    136       2.6665      0.00000
    137       2.6878      0.00000
    138       2.7351      0.00000
    139       2.7479      0.00000
    140       2.8976      0.00000
    141       3.0259      0.00000
    142       3.0874      0.00000
    143       3.1943      0.00000
    144       3.2570      0.00000
    145       3.2632      0.00000
    146       3.2743      0.00000
    147       3.3658      0.00000
    148       3.4867      0.00000
    149       3.5327      0.00000
    150       3.6998      0.00000
    151       3.7634      0.00000
    152       3.7713      0.00000
    153       3.8389      0.00000
    154       3.8850      0.00000
    155       3.9474      0.00000
    156       3.9865      0.00000
    157       4.0253      0.00000
    158       4.0540      0.00000
    159       4.0595      0.00000
    160       4.0886      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1415      1.00000
      2     -22.0462      1.00000
      3     -21.8861      1.00000
      4     -21.3341      1.00000
      5     -20.9813      1.00000
      6     -20.9427      1.00000
      7     -20.4329      1.00000
      8     -20.3902      1.00000
      9     -20.2261      1.00000
     10     -20.2046      1.00000
     11     -19.8886      1.00000
     12     -19.8210      1.00000
     13     -18.8144      1.00000
     14     -18.7433      1.00000
     15     -18.2895      1.00000
     16     -18.2360      1.00000
     17     -18.0854      1.00000
     18     -18.0653      1.00000
     19     -17.7611      1.00000
     20     -17.7187      1.00000
     21     -17.1884      1.00000
     22     -17.1696      1.00000
     23     -17.0991      1.00000
     24     -17.0634      1.00000
     25     -16.0374      1.00000
     26     -15.8226      1.00000
     27     -15.7992      1.00000
     28     -15.7643      1.00000
     29     -15.1733      1.00000
     30     -14.4909      1.00000
     31     -14.4580      1.00000
     32     -14.2175      1.00000
     33     -13.8946      1.00000
     34     -13.8899      1.00000
     35     -13.7556      1.00000
     36     -13.7356      1.00000
     37     -13.5513      1.00000
     38     -13.5027      1.00000
     39     -13.2995      1.00000
     40     -12.5639      1.00000
     41     -12.1251      1.00000
     42     -12.0657      1.00000
     43     -12.0096      1.00000
     44     -11.9512      1.00000
     45     -11.6107      1.00000
     46     -11.5877      1.00000
     47     -11.0852      1.00000
     48     -11.0516      1.00000
     49     -10.7534      1.00000
     50     -10.6637      1.00000
     51     -10.5272      1.00000
     52     -10.1484      1.00000
     53     -10.1380      1.00000
     54     -10.0956      1.00000
     55      -9.9528      1.00000
     56      -9.9474      1.00000
     57      -9.9167      1.00000
     58      -9.7376      1.00000
     59      -9.7307      1.00000
     60      -9.7005      1.00000
     61      -9.6905      1.00000
     62      -9.4298      1.00000
     63      -9.3628      1.00000
     64      -9.0870      1.00000
     65      -9.0063      1.00000
     66      -8.9743      1.00000
     67      -8.8876      1.00000
     68      -8.8109      1.00000
     69      -8.6582      1.00000
     70      -8.6347      1.00000
     71      -8.5790      1.00000
     72      -8.4780      1.00000
     73      -8.4673      1.00000
     74      -8.3979      1.00000
     75      -8.3938      1.00000
     76      -8.1835      1.00000
     77      -8.1144      1.00000
     78      -7.9768      1.00000
     79      -7.9154      1.00000
     80      -7.8467      1.00000
     81      -7.6180      1.00000
     82      -7.5297      1.00000
     83      -7.4689      1.00000
     84      -7.2573      1.00000
     85      -6.9346      1.00000
     86      -6.8574      1.00000
     87      -6.8108      1.00000
     88      -6.5752      1.00000
     89      -6.4668      1.00000
     90      -6.4202      1.00000
     91      -6.3563      1.00000
     92      -6.0525      1.00000
     93      -5.8780      1.00000
     94      -5.7529      1.00000
     95      -5.7213      1.00000
     96      -5.4774      1.00000
     97      -5.3463      1.00000
     98      -5.1800      1.00000
     99      -5.1558      1.00000
    100      -5.1544      1.00000
    101      -4.7077      1.00000
    102      -4.4412      1.00000
    103      -4.2565      1.00000
    104      -3.9969      1.00000
    105      -3.8304      1.00000
    106      -3.1556      1.00000
    107      -2.4627      0.00000
    108      -1.3784      0.00000
    109      -1.2411      0.00000
    110      -1.1458      0.00000
    111      -1.1142      0.00000
    112      -0.5630      0.00000
    113      -0.4344      0.00000
    114      -0.4293      0.00000
    115      -0.3099      0.00000
    116      -0.1896      0.00000
    117       0.0621      0.00000
    118       0.1176      0.00000
    119       0.5405      0.00000
    120       0.6844      0.00000
    121       0.8732      0.00000
    122       0.9706      0.00000
    123       1.1135      0.00000
    124       1.4976      0.00000
    125       1.6643      0.00000
    126       1.8086      0.00000
    127       1.8804      0.00000
    128       2.0970      0.00000
    129       2.1419      0.00000
    130       2.1985      0.00000
    131       2.2164      0.00000
    132       2.3405      0.00000
    133       2.3645      0.00000
    134       2.4893      0.00000
    135       2.5822      0.00000
    136       2.6723      0.00000
    137       2.8811      0.00000
    138       2.9383      0.00000
    139       2.9684      0.00000
    140       2.9992      0.00000
    141       3.0453      0.00000
    142       3.1533      0.00000
    143       3.1828      0.00000
    144       3.2506      0.00000
    145       3.2931      0.00000
    146       3.3344      0.00000
    147       3.3507      0.00000
    148       3.3816      0.00000
    149       3.4182      0.00000
    150       3.4991      0.00000
    151       3.5587      0.00000
    152       3.6372      0.00000
    153       3.6976      0.00000
    154       3.7122      0.00000
    155       3.7307      0.00000
    156       3.9227      0.00000
    157       3.9407      0.00000
    158       4.0628      0.00000
    159       4.0942      0.00000
    160       4.2075      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2473      1.00000
      2     -21.8946      1.00000
      3     -21.8210      1.00000
      4     -21.3158      1.00000
      5     -21.2768      1.00000
      6     -20.7710      1.00000
      7     -20.7020      1.00000
      8     -20.5540      1.00000
      9     -20.0223      1.00000
     10     -19.9898      1.00000
     11     -19.6499      1.00000
     12     -19.6187      1.00000
     13     -18.9430      1.00000
     14     -18.9081      1.00000
     15     -18.5836      1.00000
     16     -18.5460      1.00000
     17     -18.3916      1.00000
     18     -17.6016      1.00000
     19     -17.5702      1.00000
     20     -17.5407      1.00000
     21     -17.5080      1.00000
     22     -17.0740      1.00000
     23     -17.0270      1.00000
     24     -16.8996      1.00000
     25     -15.9450      1.00000
     26     -15.8506      1.00000
     27     -15.5329      1.00000
     28     -15.5061      1.00000
     29     -15.2089      1.00000
     30     -14.8135      1.00000
     31     -14.7608      1.00000
     32     -14.5091      1.00000
     33     -14.4674      1.00000
     34     -14.0957      1.00000
     35     -14.0927      1.00000
     36     -13.1044      1.00000
     37     -13.0292      1.00000
     38     -12.9564      1.00000
     39     -12.9491      1.00000
     40     -12.6555      1.00000
     41     -12.6269      1.00000
     42     -12.2737      1.00000
     43     -12.2466      1.00000
     44     -11.5727      1.00000
     45     -11.5531      1.00000
     46     -11.5001      1.00000
     47     -10.8780      1.00000
     48     -10.8685      1.00000
     49     -10.6833      1.00000
     50     -10.5248      1.00000
     51     -10.5203      1.00000
     52     -10.4330      1.00000
     53     -10.4153      1.00000
     54     -10.3697      1.00000
     55     -10.2875      1.00000
     56     -10.0608      1.00000
     57      -9.8315      1.00000
     58      -9.5589      1.00000
     59      -9.4843      1.00000
     60      -9.4449      1.00000
     61      -9.3552      1.00000
     62      -9.3387      1.00000
     63      -9.3074      1.00000
     64      -9.3020      1.00000
     65      -9.2056      1.00000
     66      -9.0990      1.00000
     67      -9.0679      1.00000
     68      -9.0487      1.00000
     69      -8.8517      1.00000
     70      -8.7962      1.00000
     71      -8.7777      1.00000
     72      -8.5266      1.00000
     73      -8.4973      1.00000
     74      -8.2280      1.00000
     75      -8.1292      1.00000
     76      -8.0925      1.00000
     77      -7.8067      1.00000
     78      -7.7672      1.00000
     79      -7.7388      1.00000
     80      -7.7031      1.00000
     81      -7.6351      1.00000
     82      -7.6244      1.00000
     83      -7.3879      1.00000
     84      -7.3442      1.00000
     85      -7.2197      1.00000
     86      -6.8434      1.00000
     87      -6.8200      1.00000
     88      -6.6402      1.00000
     89      -6.5292      1.00000
     90      -6.3410      1.00000
     91      -6.2728      1.00000
     92      -6.1952      1.00000
     93      -6.1314      1.00000
     94      -6.0213      1.00000
     95      -5.6382      1.00000
     96      -5.5085      1.00000
     97      -5.2975      1.00000
     98      -5.1558      1.00000
     99      -5.0402      1.00000
    100      -4.7269      1.00000
    101      -4.6853      1.00000
    102      -4.3678      1.00000
    103      -4.1860      1.00000
    104      -4.0100      1.00000
    105      -3.8299      1.00000
    106      -3.4836      1.00000
    107      -2.1639      0.00000
    108      -1.3829      0.00000
    109      -1.2354      0.00000
    110      -1.1844      0.00000
    111      -1.0137      0.00000
    112      -0.9557      0.00000
    113      -0.7971      0.00000
    114      -0.7518      0.00000
    115      -0.3645      0.00000
    116       0.2454      0.00000
    117       0.2769      0.00000
    118       0.3650      0.00000
    119       0.7025      0.00000
    120       0.8693      0.00000
    121       0.9660      0.00000
    122       1.1286      0.00000
    123       1.2381      0.00000
    124       1.4575      0.00000
    125       1.5597      0.00000
    126       1.7845      0.00000
    127       1.8519      0.00000
    128       1.8848      0.00000
    129       1.9903      0.00000
    130       2.0343      0.00000
    131       2.1996      0.00000
    132       2.2158      0.00000
    133       2.4059      0.00000
    134       2.4561      0.00000
    135       2.5547      0.00000
    136       2.6590      0.00000
    137       2.6854      0.00000
    138       2.7312      0.00000
    139       2.7724      0.00000
    140       2.8590      0.00000
    141       2.9692      0.00000
    142       3.0864      0.00000
    143       3.1910      0.00000
    144       3.2449      0.00000
    145       3.2616      0.00000
    146       3.2996      0.00000
    147       3.3390      0.00000
    148       3.4863      0.00000
    149       3.5139      0.00000
    150       3.7175      0.00000
    151       3.7274      0.00000
    152       3.7713      0.00000
    153       3.8651      0.00000
    154       3.8779      0.00000
    155       3.9030      0.00000
    156       4.0003      0.00000
    157       4.0022      0.00000
    158       4.0568      0.00000
    159       4.0681      0.00000
    160       4.0917      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3193      1.00000
      2     -21.7611      1.00000
      3     -21.5674      1.00000
      4     -21.5400      1.00000
      5     -21.2046      1.00000
      6     -21.1656      1.00000
      7     -20.9853      1.00000
      8     -20.0983      1.00000
      9     -20.0593      1.00000
     10     -19.5458      1.00000
     11     -19.5257      1.00000
     12     -19.3444      1.00000
     13     -19.0277      1.00000
     14     -18.9876      1.00000
     15     -18.9771      1.00000
     16     -18.9714      1.00000
     17     -18.2955      1.00000
     18     -18.2820      1.00000
     19     -17.9459      1.00000
     20     -17.0003      1.00000
     21     -16.9592      1.00000
     22     -16.8822      1.00000
     23     -16.8693      1.00000
     24     -16.4157      1.00000
     25     -16.3927      1.00000
     26     -15.5404      1.00000
     27     -15.5370      1.00000
     28     -15.1725      1.00000
     29     -15.1709      1.00000
     30     -15.1307      1.00000
     31     -15.0359      1.00000
     32     -15.0006      1.00000
     33     -14.6330      1.00000
     34     -14.6259      1.00000
     35     -13.6625      1.00000
     36     -13.6524      1.00000
     37     -13.1708      1.00000
     38     -12.5729      1.00000
     39     -12.5129      1.00000
     40     -12.3853      1.00000
     41     -12.3848      1.00000
     42     -12.0351      1.00000
     43     -12.0309      1.00000
     44     -11.6546      1.00000
     45     -11.6141      1.00000
     46     -11.2064      1.00000
     47     -11.1568      1.00000
     48     -10.9551      1.00000
     49     -10.9420      1.00000
     50     -10.8602      1.00000
     51     -10.8276      1.00000
     52     -10.6258      1.00000
     53     -10.1470      1.00000
     54     -10.0839      1.00000
     55     -10.0248      1.00000
     56      -9.9462      1.00000
     57      -9.6308      1.00000
     58      -9.6293      1.00000
     59      -9.6029      1.00000
     60      -9.5406      1.00000
     61      -9.5025      1.00000
     62      -9.4783      1.00000
     63      -9.2729      1.00000
     64      -9.2351      1.00000
     65      -9.2068      1.00000
     66      -9.1791      1.00000
     67      -9.0619      1.00000
     68      -9.0467      1.00000
     69      -9.0430      1.00000
     70      -8.8766      1.00000
     71      -8.8082      1.00000
     72      -8.5367      1.00000
     73      -8.5328      1.00000
     74      -8.5019      1.00000
     75      -8.0310      1.00000
     76      -7.8321      1.00000
     77      -7.8006      1.00000
     78      -7.7734      1.00000
     79      -7.7028      1.00000
     80      -7.6843      1.00000
     81      -7.4143      1.00000
     82      -7.2872      1.00000
     83      -7.2511      1.00000
     84      -7.2030      1.00000
     85      -7.0822      1.00000
     86      -7.0750      1.00000
     87      -6.9376      1.00000
     88      -6.7116      1.00000
     89      -6.6742      1.00000
     90      -6.6287      1.00000
     91      -6.5569      1.00000
     92      -6.0717      1.00000
     93      -6.0313      1.00000
     94      -6.0012      1.00000
     95      -5.9367      1.00000
     96      -5.8008      1.00000
     97      -5.1828      1.00000
     98      -4.8960      1.00000
     99      -4.7938      1.00000
    100      -4.6106      1.00000
    101      -4.5123      1.00000
    102      -4.1404      1.00000
    103      -4.0919      1.00000
    104      -3.9306      1.00000
    105      -3.9167      1.00000
    106      -3.8289      1.00000
    107      -1.7515      0.00000
    108      -1.6954      0.00000
    109      -1.4100      0.00000
    110      -1.3707      0.00000
    111      -1.2640      0.00000
    112      -1.2358      0.00000
    113      -0.6227      0.00000
    114      -0.5981      0.00000
    115      -0.1900      0.00000
    116       0.0433      0.00000
    117       0.5860      0.00000
    118       0.7411      0.00000
    119       0.8503      0.00000
    120       0.9291      0.00000
    121       1.1677      0.00000
    122       1.2122      0.00000
    123       1.2481      0.00000
    124       1.4223      0.00000
    125       1.6006      0.00000
    126       1.6433      0.00000
    127       1.7070      0.00000
    128       1.8072      0.00000
    129       1.9231      0.00000
    130       1.9403      0.00000
    131       2.1528      0.00000
    132       2.1754      0.00000
    133       2.2633      0.00000
    134       2.3052      0.00000
    135       2.5458      0.00000
    136       2.5638      0.00000
    137       2.6388      0.00000
    138       2.7633      0.00000
    139       2.8142      0.00000
    140       2.8474      0.00000
    141       2.8941      0.00000
    142       2.9467      0.00000
    143       3.0185      0.00000
    144       3.0316      0.00000
    145       3.0937      0.00000
    146       3.3202      0.00000
    147       3.3719      0.00000
    148       3.4182      0.00000
    149       3.4827      0.00000
    150       3.6092      0.00000
    151       3.6594      0.00000
    152       3.6695      0.00000
    153       3.6819      0.00000
    154       3.8975      0.00000
    155       3.9840      0.00000
    156       4.0314      0.00000
    157       4.0772      0.00000
    158       4.2410      0.00000
    159       4.2597      0.00000
    160       4.2739      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1406      1.00000
      2     -22.0477      1.00000
      3     -21.8856      1.00000
      4     -21.3350      1.00000
      5     -20.9763      1.00000
      6     -20.9468      1.00000
      7     -20.4276      1.00000
      8     -20.3956      1.00000
      9     -20.2156      1.00000
     10     -20.2138      1.00000
     11     -19.8874      1.00000
     12     -19.8235      1.00000
     13     -18.8173      1.00000
     14     -18.7464      1.00000
     15     -18.2656      1.00000
     16     -18.2513      1.00000
     17     -18.0798      1.00000
     18     -18.0733      1.00000
     19     -17.7457      1.00000
     20     -17.7297      1.00000
     21     -17.1945      1.00000
     22     -17.1712      1.00000
     23     -17.0886      1.00000
     24     -17.0675      1.00000
     25     -16.0536      1.00000
     26     -15.8080      1.00000
     27     -15.7985      1.00000
     28     -15.7773      1.00000
     29     -15.1589      1.00000
     30     -14.4853      1.00000
     31     -14.4638      1.00000
     32     -14.2039      1.00000
     33     -13.9163      1.00000
     34     -13.8864      1.00000
     35     -13.7587      1.00000
     36     -13.7386      1.00000
     37     -13.5360      1.00000
     38     -13.5100      1.00000
     39     -13.3010      1.00000
     40     -12.5764      1.00000
     41     -12.1010      1.00000
     42     -12.0768      1.00000
     43     -11.9982      1.00000
     44     -11.9505      1.00000
     45     -11.6057      1.00000
     46     -11.5978      1.00000
     47     -11.0843      1.00000
     48     -11.0609      1.00000
     49     -10.7320      1.00000
     50     -10.6641      1.00000
     51     -10.5607      1.00000
     52     -10.1396      1.00000
     53     -10.1349      1.00000
     54     -10.1003      1.00000
     55      -9.9661      1.00000
     56      -9.9251      1.00000
     57      -9.9209      1.00000
     58      -9.7509      1.00000
     59      -9.7289      1.00000
     60      -9.6973      1.00000
     61      -9.6946      1.00000
     62      -9.4013      1.00000
     63      -9.3888      1.00000
     64      -9.0691      1.00000
     65      -8.9823      1.00000
     66      -8.9812      1.00000
     67      -8.9060      1.00000
     68      -8.8117      1.00000
     69      -8.6496      1.00000
     70      -8.6337      1.00000
     71      -8.5489      1.00000
     72      -8.5018      1.00000
     73      -8.4822      1.00000
     74      -8.3942      1.00000
     75      -8.3821      1.00000
     76      -8.2097      1.00000
     77      -8.1022      1.00000
     78      -8.0070      1.00000
     79      -7.9018      1.00000
     80      -7.8433      1.00000
     81      -7.6216      1.00000
     82      -7.5323      1.00000
     83      -7.4571      1.00000
     84      -7.2540      1.00000
     85      -6.9429      1.00000
     86      -6.8689      1.00000
     87      -6.8095      1.00000
     88      -6.4778      1.00000
     89      -6.4686      1.00000
     90      -6.4089      1.00000
     91      -6.3596      1.00000
     92      -6.1926      1.00000
     93      -5.8579      1.00000
     94      -5.7374      1.00000
     95      -5.7110      1.00000
     96      -5.5245      1.00000
     97      -5.3290      1.00000
     98      -5.1721      1.00000
     99      -5.1673      1.00000
    100      -5.1337      1.00000
    101      -4.6961      1.00000
    102      -4.3482      1.00000
    103      -4.2816      1.00000
    104      -4.0304      1.00000
    105      -3.8314      1.00000
    106      -3.2327      1.00000
    107      -2.4047      0.00000
    108      -1.3449      0.00000
    109      -1.2436      0.00000
    110      -1.1529      0.00000
    111      -1.1081      0.00000
    112      -0.5819      0.00000
    113      -0.5213      0.00000
    114      -0.4336      0.00000
    115      -0.2748      0.00000
    116      -0.0696      0.00000
    117      -0.0103      0.00000
    118       0.0600      0.00000
    119       0.5833      0.00000
    120       0.7111      0.00000
    121       0.8115      0.00000
    122       0.9468      0.00000
    123       1.1856      0.00000
    124       1.5134      0.00000
    125       1.6218      0.00000
    126       1.8653      0.00000
    127       2.0072      0.00000
    128       2.0529      0.00000
    129       2.1177      0.00000
    130       2.1556      0.00000
    131       2.2648      0.00000
    132       2.2863      0.00000
    133       2.3494      0.00000
    134       2.4623      0.00000
    135       2.6132      0.00000
    136       2.7037      0.00000
    137       2.8229      0.00000
    138       2.9151      0.00000
    139       2.9437      0.00000
    140       3.0203      0.00000
    141       3.0527      0.00000
    142       3.1596      0.00000
    143       3.1653      0.00000
    144       3.2297      0.00000
    145       3.3007      0.00000
    146       3.3137      0.00000
    147       3.3548      0.00000
    148       3.3749      0.00000
    149       3.4196      0.00000
    150       3.4554      0.00000
    151       3.5683      0.00000
    152       3.6170      0.00000
    153       3.7040      0.00000
    154       3.7285      0.00000
    155       3.8513      0.00000
    156       3.9102      0.00000
    157       3.9339      0.00000
    158       3.9648      0.00000
    159       4.1524      0.00000
    160       4.1865      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2133      1.00000
      2     -22.0080      1.00000
      3     -21.6461      1.00000
      4     -21.6146      1.00000
      5     -20.9096      1.00000
      6     -20.8688      1.00000
      7     -20.5390      1.00000
      8     -20.5063      1.00000
      9     -20.4995      1.00000
     10     -19.9622      1.00000
     11     -19.4406      1.00000
     12     -19.4186      1.00000
     13     -19.2397      1.00000
     14     -19.2325      1.00000
     15     -18.3760      1.00000
     16     -18.3408      1.00000
     17     -17.8586      1.00000
     18     -17.8425      1.00000
     19     -17.6912      1.00000
     20     -17.6551      1.00000
     21     -17.3720      1.00000
     22     -17.3577      1.00000
     23     -17.2671      1.00000
     24     -16.4133      1.00000
     25     -16.3895      1.00000
     26     -15.9045      1.00000
     27     -15.3433      1.00000
     28     -15.3383      1.00000
     29     -15.0309      1.00000
     30     -15.0210      1.00000
     31     -14.7763      1.00000
     32     -14.7740      1.00000
     33     -14.2375      1.00000
     34     -14.1868      1.00000
     35     -13.3876      1.00000
     36     -13.3332      1.00000
     37     -13.1110      1.00000
     38     -13.1027      1.00000
     39     -12.9177      1.00000
     40     -12.9120      1.00000
     41     -12.5453      1.00000
     42     -12.5374      1.00000
     43     -12.1335      1.00000
     44     -11.5136      1.00000
     45     -11.4689      1.00000
     46     -11.2445      1.00000
     47     -11.2127      1.00000
     48     -11.0866      1.00000
     49     -10.7071      1.00000
     50     -10.5954      1.00000
     51     -10.5093      1.00000
     52     -10.2514      1.00000
     53     -10.2472      1.00000
     54     -10.1220      1.00000
     55     -10.0541      1.00000
     56     -10.0384      1.00000
     57      -9.7852      1.00000
     58      -9.6869      1.00000
     59      -9.6732      1.00000
     60      -9.6375      1.00000
     61      -9.6277      1.00000
     62      -9.5853      1.00000
     63      -9.2957      1.00000
     64      -9.2834      1.00000
     65      -9.2527      1.00000
     66      -9.0662      1.00000
     67      -8.8949      1.00000
     68      -8.8836      1.00000
     69      -8.7182      1.00000
     70      -8.5823      1.00000
     71      -8.5257      1.00000
     72      -8.3509      1.00000
     73      -8.3049      1.00000
     74      -8.2433      1.00000
     75      -8.2380      1.00000
     76      -8.1945      1.00000
     77      -8.1809      1.00000
     78      -8.1692      1.00000
     79      -8.1090      1.00000
     80      -7.6899      1.00000
     81      -7.4195      1.00000
     82      -7.3435      1.00000
     83      -7.2578      1.00000
     84      -7.1687      1.00000
     85      -7.1102      1.00000
     86      -7.0040      1.00000
     87      -6.9037      1.00000
     88      -6.8473      1.00000
     89      -6.5416      1.00000
     90      -6.4986      1.00000
     91      -6.2146      1.00000
     92      -6.2014      1.00000
     93      -5.8944      1.00000
     94      -5.6740      1.00000
     95      -5.6087      1.00000
     96      -5.5802      1.00000
     97      -5.2532      1.00000
     98      -5.2311      1.00000
     99      -5.1647      1.00000
    100      -5.1343      1.00000
    101      -4.6003      1.00000
    102      -4.2514      1.00000
    103      -4.0468      1.00000
    104      -3.8842      1.00000
    105      -3.8433      1.00000
    106      -3.8006      1.00000
    107      -1.8076      0.00000
    108      -1.7800      0.00000
    109      -1.2248      0.00000
    110      -1.1754      0.00000
    111      -0.9736      0.00000
    112      -0.7339      0.00000
    113      -0.6499      0.00000
    114      -0.5935      0.00000
    115      -0.5496      0.00000
    116      -0.1509      0.00000
    117       0.1766      0.00000
    118       0.2881      0.00000
    119       0.7073      0.00000
    120       0.9516      0.00000
    121       1.1690      0.00000
    122       1.2783      0.00000
    123       1.3485      0.00000
    124       1.5149      0.00000
    125       1.6098      0.00000
    126       1.6294      0.00000
    127       1.6929      0.00000
    128       1.7752      0.00000
    129       1.8671      0.00000
    130       2.0813      0.00000
    131       2.1689      0.00000
    132       2.3197      0.00000
    133       2.3971      0.00000
    134       2.4251      0.00000
    135       2.5597      0.00000
    136       2.6269      0.00000
    137       2.6888      0.00000
    138       2.7480      0.00000
    139       2.8207      0.00000
    140       2.9108      0.00000
    141       3.0567      0.00000
    142       3.0634      0.00000
    143       3.1874      0.00000
    144       3.2854      0.00000
    145       3.3824      0.00000
    146       3.4183      0.00000
    147       3.4636      0.00000
    148       3.5491      0.00000
    149       3.5796      0.00000
    150       3.6371      0.00000
    151       3.6680      0.00000
    152       3.7019      0.00000
    153       3.7909      0.00000
    154       3.8027      0.00000
    155       3.8278      0.00000
    156       3.8975      0.00000
    157       3.9112      0.00000
    158       3.9841      0.00000
    159       4.1916      0.00000
    160       4.2389      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3559      1.00000
      2     -21.5364      1.00000
      3     -21.4064      1.00000
      4     -21.4055      1.00000
      5     -21.3743      1.00000
      6     -21.3652      1.00000
      7     -21.3579      1.00000
      8     -19.6459      1.00000
      9     -19.5717      1.00000
     10     -19.5646      1.00000
     11     -19.5581      1.00000
     12     -19.5397      1.00000
     13     -19.5368      1.00000
     14     -18.7278      1.00000
     15     -18.6793      1.00000
     16     -18.6717      1.00000
     17     -18.6581      1.00000
     18     -18.6425      1.00000
     19     -18.6408      1.00000
     20     -16.5857      1.00000
     21     -16.5262      1.00000
     22     -16.5236      1.00000
     23     -16.5104      1.00000
     24     -16.4865      1.00000
     25     -16.4846      1.00000
     26     -15.5581      1.00000
     27     -15.5259      1.00000
     28     -15.5250      1.00000
     29     -15.4995      1.00000
     30     -15.4942      1.00000
     31     -15.4884      1.00000
     32     -14.2062      1.00000
     33     -14.1800      1.00000
     34     -14.1667      1.00000
     35     -14.1646      1.00000
     36     -14.1595      1.00000
     37     -14.1481      1.00000
     38     -11.8842      1.00000
     39     -11.8076      1.00000
     40     -11.7919      1.00000
     41     -11.7915      1.00000
     42     -11.7883      1.00000
     43     -11.7827      1.00000
     44     -11.7042      1.00000
     45     -11.6976      1.00000
     46     -11.6724      1.00000
     47     -11.6572      1.00000
     48     -11.6571      1.00000
     49     -11.6502      1.00000
     50     -10.6748      1.00000
     51     -10.3287      1.00000
     52     -10.3209      1.00000
     53     -10.3053      1.00000
     54     -10.3036      1.00000
     55     -10.2905      1.00000
     56     -10.2773      1.00000
     57      -9.9286      1.00000
     58      -9.3726      1.00000
     59      -9.3589      1.00000
     60      -9.2997      1.00000
     61      -9.2915      1.00000
     62      -9.2846      1.00000
     63      -9.0921      1.00000
     64      -9.0538      1.00000
     65      -9.0489      1.00000
     66      -9.0265      1.00000
     67      -9.0065      1.00000
     68      -9.0014      1.00000
     69      -9.0002      1.00000
     70      -8.9946      1.00000
     71      -8.9915      1.00000
     72      -8.9725      1.00000
     73      -8.9644      1.00000
     74      -8.9534      1.00000
     75      -8.5012      1.00000
     76      -7.5155      1.00000
     77      -7.4102      1.00000
     78      -7.4100      1.00000
     79      -7.4011      1.00000
     80      -7.3836      1.00000
     81      -7.3636      1.00000
     82      -7.3412      1.00000
     83      -7.3079      1.00000
     84      -7.2688      1.00000
     85      -7.2062      1.00000
     86      -7.1796      1.00000
     87      -7.1793      1.00000
     88      -7.0749      1.00000
     89      -6.5096      1.00000
     90      -6.4611      1.00000
     91      -6.3548      1.00000
     92      -6.2929      1.00000
     93      -6.2873      1.00000
     94      -6.2860      1.00000
     95      -5.8968      1.00000
     96      -5.8845      1.00000
     97      -5.0507      1.00000
     98      -4.9380      1.00000
     99      -4.5398      1.00000
    100      -4.3401      1.00000
    101      -4.3177      1.00000
    102      -4.3167      1.00000
    103      -4.1152      1.00000
    104      -3.9131      1.00000
    105      -3.9012      1.00000
    106      -3.8352      1.00000
    107      -1.6812      0.00000
    108      -1.6676      0.00000
    109      -1.5367      0.00000
    110      -1.5350      0.00000
    111      -1.5218      0.00000
    112      -1.5088      0.00000
    113      -0.5841      0.00000
    114       0.1342      0.00000
    115       0.2059      0.00000
    116       0.3248      0.00000
    117       0.3270      0.00000
    118       0.3343      0.00000
    119       0.4966      0.00000
    120       0.5982      0.00000
    121       1.2597      0.00000
    122       1.2765      0.00000
    123       1.5322      0.00000
    124       1.7957      0.00000
    125       1.8055      0.00000
    126       1.8088      0.00000
    127       1.8138      0.00000
    128       1.9466      0.00000
    129       1.9824      0.00000
    130       2.0321      0.00000
    131       2.0455      0.00000
    132       2.0508      0.00000
    133       2.0554      0.00000
    134       2.0624      0.00000
    135       2.3105      0.00000
    136       2.3253      0.00000
    137       2.6175      0.00000
    138       2.6250      0.00000
    139       2.6548      0.00000
    140       2.7331      0.00000
    141       2.8639      0.00000
    142       3.0259      0.00000
    143       3.0537      0.00000
    144       3.0892      0.00000
    145       3.1023      0.00000
    146       3.1035      0.00000
    147       3.1043      0.00000
    148       3.2391      0.00000
    149       3.4536      0.00000
    150       3.5418      0.00000
    151       3.7874      0.00000
    152       3.9463      0.00000
    153       3.9533      0.00000
    154       3.9615      0.00000
    155       3.9682      0.00000
    156       3.9993      0.00000
    157       4.1851      0.00000
    158       4.2738      0.00000
    159       4.2896      0.00000
    160       4.2896      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3193      1.00000
      2     -21.7608      1.00000
      3     -21.5701      1.00000
      4     -21.5372      1.00000
      5     -21.2073      1.00000
      6     -21.1622      1.00000
      7     -20.9866      1.00000
      8     -20.1012      1.00000
      9     -20.0570      1.00000
     10     -19.5458      1.00000
     11     -19.5210      1.00000
     12     -19.3486      1.00000
     13     -19.0243      1.00000
     14     -18.9890      1.00000
     15     -18.9809      1.00000
     16     -18.9685      1.00000
     17     -18.2969      1.00000
     18     -18.2775      1.00000
     19     -17.9515      1.00000
     20     -17.0093      1.00000
     21     -16.9590      1.00000
     22     -16.8781      1.00000
     23     -16.8683      1.00000
     24     -16.4044      1.00000
     25     -16.3896      1.00000
     26     -15.5514      1.00000
     27     -15.5354      1.00000
     28     -15.1973      1.00000
     29     -15.1685      1.00000
     30     -15.1142      1.00000
     31     -15.0271      1.00000
     32     -15.0025      1.00000
     33     -14.6358      1.00000
     34     -14.6239      1.00000
     35     -13.6670      1.00000
     36     -13.6515      1.00000
     37     -13.1692      1.00000
     38     -12.5507      1.00000
     39     -12.5174      1.00000
     40     -12.3906      1.00000
     41     -12.3774      1.00000
     42     -12.0571      1.00000
     43     -12.0340      1.00000
     44     -11.6591      1.00000
     45     -11.6166      1.00000
     46     -11.1806      1.00000
     47     -11.1564      1.00000
     48     -10.9649      1.00000
     49     -10.9402      1.00000
     50     -10.8734      1.00000
     51     -10.8368      1.00000
     52     -10.6029      1.00000
     53     -10.0937      1.00000
     54     -10.0883      1.00000
     55     -10.0466      1.00000
     56      -9.9704      1.00000
     57      -9.6541      1.00000
     58      -9.6289      1.00000
     59      -9.5915      1.00000
     60      -9.5292      1.00000
     61      -9.5105      1.00000
     62      -9.4784      1.00000
     63      -9.2645      1.00000
     64      -9.2408      1.00000
     65      -9.2205      1.00000
     66      -9.1657      1.00000
     67      -9.0680      1.00000
     68      -9.0464      1.00000
     69      -9.0404      1.00000
     70      -8.8824      1.00000
     71      -8.8059      1.00000
     72      -8.5787      1.00000
     73      -8.5220      1.00000
     74      -8.4614      1.00000
     75      -8.0349      1.00000
     76      -7.8119      1.00000
     77      -7.8068      1.00000
     78      -7.7923      1.00000
     79      -7.6996      1.00000
     80      -7.6904      1.00000
     81      -7.3644      1.00000
     82      -7.2735      1.00000
     83      -7.2640      1.00000
     84      -7.2159      1.00000
     85      -7.1726      1.00000
     86      -7.0083      1.00000
     87      -6.9470      1.00000
     88      -6.7471      1.00000
     89      -6.6720      1.00000
     90      -6.5938      1.00000
     91      -6.5589      1.00000
     92      -6.0504      1.00000
     93      -6.0474      1.00000
     94      -6.0216      1.00000
     95      -5.9582      1.00000
     96      -5.7362      1.00000
     97      -5.1580      1.00000
     98      -4.9905      1.00000
     99      -4.7187      1.00000
    100      -4.6105      1.00000
    101      -4.4401      1.00000
    102      -4.3739      1.00000
    103      -4.1225      1.00000
    104      -3.8683      1.00000
    105      -3.8350      1.00000
    106      -3.7904      1.00000
    107      -1.7850      0.00000
    108      -1.7382      0.00000
    109      -1.3942      0.00000
    110      -1.3459      0.00000
    111      -1.2638      0.00000
    112      -1.2257      0.00000
    113      -0.7445      0.00000
    114      -0.3787      0.00000
    115      -0.2199      0.00000
    116      -0.0176      0.00000
    117       0.5922      0.00000
    118       0.7373      0.00000
    119       0.7642      0.00000
    120       1.0501      0.00000
    121       1.1418      0.00000
    122       1.2513      0.00000
    123       1.2737      0.00000
    124       1.4160      0.00000
    125       1.4815      0.00000
    126       1.5905      0.00000
    127       1.7589      0.00000
    128       1.8419      0.00000
    129       1.8972      0.00000
    130       1.9601      0.00000
    131       2.1088      0.00000
    132       2.2397      0.00000
    133       2.2514      0.00000
    134       2.3000      0.00000
    135       2.4909      0.00000
    136       2.6200      0.00000
    137       2.6399      0.00000
    138       2.7706      0.00000
    139       2.8049      0.00000
    140       2.8577      0.00000
    141       2.8685      0.00000
    142       2.8933      0.00000
    143       2.9605      0.00000
    144       3.0885      0.00000
    145       3.2841      0.00000
    146       3.3124      0.00000
    147       3.3768      0.00000
    148       3.4093      0.00000
    149       3.4703      0.00000
    150       3.5929      0.00000
    151       3.6403      0.00000
    152       3.6729      0.00000
    153       3.7107      0.00000
    154       3.9113      0.00000
    155       3.9468      0.00000
    156       3.9850      0.00000
    157       4.0907      0.00000
    158       4.2092      0.00000
    159       4.2486      0.00000
    160       4.3012      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2137      1.00000
      2     -22.0074      1.00000
      3     -21.6488      1.00000
      4     -21.6116      1.00000
      5     -20.9126      1.00000
      6     -20.8660      1.00000
      7     -20.5453      1.00000
      8     -20.5057      1.00000
      9     -20.4953      1.00000
     10     -19.9630      1.00000
     11     -19.4420      1.00000
     12     -19.4148      1.00000
     13     -19.2412      1.00000
     14     -19.2266      1.00000
     15     -18.3837      1.00000
     16     -18.3393      1.00000
     17     -17.8596      1.00000
     18     -17.8385      1.00000
     19     -17.6975      1.00000
     20     -17.6548      1.00000
     21     -17.3717      1.00000
     22     -17.3556      1.00000
     23     -17.2739      1.00000
     24     -16.4009      1.00000
     25     -16.3861      1.00000
     26     -15.8960      1.00000
     27     -15.3522      1.00000
     28     -15.3367      1.00000
     29     -15.0344      1.00000
     30     -15.0204      1.00000
     31     -14.7993      1.00000
     32     -14.7744      1.00000
     33     -14.2215      1.00000
     34     -14.1895      1.00000
     35     -13.3706      1.00000
     36     -13.3369      1.00000
     37     -13.1196      1.00000
     38     -13.1020      1.00000
     39     -12.9159      1.00000
     40     -12.9023      1.00000
     41     -12.5565      1.00000
     42     -12.5384      1.00000
     43     -12.1328      1.00000
     44     -11.5219      1.00000
     45     -11.4735      1.00000
     46     -11.2536      1.00000
     47     -11.2195      1.00000
     48     -11.0793      1.00000
     49     -10.6603      1.00000
     50     -10.5883      1.00000
     51     -10.5239      1.00000
     52     -10.2573      1.00000
     53     -10.2486      1.00000
     54     -10.1228      1.00000
     55     -10.0484      1.00000
     56     -10.0408      1.00000
     57      -9.7701      1.00000
     58      -9.7051      1.00000
     59      -9.6797      1.00000
     60      -9.6301      1.00000
     61      -9.6258      1.00000
     62      -9.5874      1.00000
     63      -9.2944      1.00000
     64      -9.2850      1.00000
     65      -9.2531      1.00000
     66      -9.0892      1.00000
     67      -8.8968      1.00000
     68      -8.8828      1.00000
     69      -8.7245      1.00000
     70      -8.5896      1.00000
     71      -8.5139      1.00000
     72      -8.3305      1.00000
     73      -8.3024      1.00000
     74      -8.2644      1.00000
     75      -8.2323      1.00000
     76      -8.1947      1.00000
     77      -8.1856      1.00000
     78      -8.1705      1.00000
     79      -8.1024      1.00000
     80      -7.6883      1.00000
     81      -7.3573      1.00000
     82      -7.3101      1.00000
     83      -7.2643      1.00000
     84      -7.1876      1.00000
     85      -7.1252      1.00000
     86      -7.0766      1.00000
     87      -6.9068      1.00000
     88      -6.8822      1.00000
     89      -6.5491      1.00000
     90      -6.4923      1.00000
     91      -6.2097      1.00000
     92      -6.0702      1.00000
     93      -5.9421      1.00000
     94      -5.7158      1.00000
     95      -5.6329      1.00000
     96      -5.4525      1.00000
     97      -5.3052      1.00000
     98      -5.2338      1.00000
     99      -5.1518      1.00000
    100      -5.1513      1.00000
    101      -4.5237      1.00000
    102      -4.4710      1.00000
    103      -4.1440      1.00000
    104      -3.8380      1.00000
    105      -3.7572      1.00000
    106      -3.6793      1.00000
    107      -1.8707      0.00000
    108      -1.8236      0.00000
    109      -1.2768      0.00000
    110      -1.0359      0.00000
    111      -1.0115      0.00000
    112      -0.7118      0.00000
    113      -0.6397      0.00000
    114      -0.5879      0.00000
    115      -0.5458      0.00000
    116      -0.2012      0.00000
    117       0.2528      0.00000
    118       0.2788      0.00000
    119       0.7627      0.00000
    120       0.9472      0.00000
    121       1.1331      0.00000
    122       1.2274      0.00000
    123       1.3216      0.00000
    124       1.4141      0.00000
    125       1.6033      0.00000
    126       1.6343      0.00000
    127       1.7046      0.00000
    128       1.8254      0.00000
    129       1.9241      0.00000
    130       2.0163      0.00000
    131       2.1098      0.00000
    132       2.3317      0.00000
    133       2.3971      0.00000
    134       2.4356      0.00000
    135       2.5459      0.00000
    136       2.6364      0.00000
    137       2.7571      0.00000
    138       2.8256      0.00000
    139       2.8353      0.00000
    140       2.8898      0.00000
    141       3.0468      0.00000
    142       3.0928      0.00000
    143       3.1909      0.00000
    144       3.2439      0.00000
    145       3.3917      0.00000
    146       3.4251      0.00000
    147       3.4861      0.00000
    148       3.5789      0.00000
    149       3.6055      0.00000
    150       3.6290      0.00000
    151       3.6536      0.00000
    152       3.7446      0.00000
    153       3.7750      0.00000
    154       3.7917      0.00000
    155       3.8097      0.00000
    156       3.9009      0.00000
    157       3.9811      0.00000
    158       4.0152      0.00000
    159       4.1804      0.00000
    160       4.2420      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2475      1.00000
      2     -21.8932      1.00000
      3     -21.8225      1.00000
      4     -21.3112      1.00000
      5     -21.2808      1.00000
      6     -20.7699      1.00000
      7     -20.7040      1.00000
      8     -20.5556      1.00000
      9     -20.0082      1.00000
     10     -20.0009      1.00000
     11     -19.6473      1.00000
     12     -19.6229      1.00000
     13     -18.9289      1.00000
     14     -18.9205      1.00000
     15     -18.5701      1.00000
     16     -18.5561      1.00000
     17     -18.3932      1.00000
     18     -17.6144      1.00000
     19     -17.5580      1.00000
     20     -17.5529      1.00000
     21     -17.5114      1.00000
     22     -17.0554      1.00000
     23     -17.0375      1.00000
     24     -16.8910      1.00000
     25     -15.9292      1.00000
     26     -15.8668      1.00000
     27     -15.5159      1.00000
     28     -15.5149      1.00000
     29     -15.2279      1.00000
     30     -14.7941      1.00000
     31     -14.7666      1.00000
     32     -14.5147      1.00000
     33     -14.4705      1.00000
     34     -14.1013      1.00000
     35     -14.0903      1.00000
     36     -13.0758      1.00000
     37     -13.0323      1.00000
     38     -12.9663      1.00000
     39     -12.9541      1.00000
     40     -12.6447      1.00000
     41     -12.6382      1.00000
     42     -12.2736      1.00000
     43     -12.2422      1.00000
     44     -11.5876      1.00000
     45     -11.5603      1.00000
     46     -11.5058      1.00000
     47     -10.9047      1.00000
     48     -10.8505      1.00000
     49     -10.6217      1.00000
     50     -10.5587      1.00000
     51     -10.4849      1.00000
     52     -10.4332      1.00000
     53     -10.4234      1.00000
     54     -10.3705      1.00000
     55     -10.2931      1.00000
     56     -10.0652      1.00000
     57      -9.8327      1.00000
     58      -9.5477      1.00000
     59      -9.4876      1.00000
     60      -9.4719      1.00000
     61      -9.3458      1.00000
     62      -9.3301      1.00000
     63      -9.3096      1.00000
     64      -9.3078      1.00000
     65      -9.2140      1.00000
     66      -9.1118      1.00000
     67      -9.0804      1.00000
     68      -9.0491      1.00000
     69      -8.8486      1.00000
     70      -8.7926      1.00000
     71      -8.7736      1.00000
     72      -8.5266      1.00000
     73      -8.4755      1.00000
     74      -8.2229      1.00000
     75      -8.1098      1.00000
     76      -8.0990      1.00000
     77      -7.8076      1.00000
     78      -7.7838      1.00000
     79      -7.7813      1.00000
     80      -7.6733      1.00000
     81      -7.6311      1.00000
     82      -7.6300      1.00000
     83      -7.4007      1.00000
     84      -7.3244      1.00000
     85      -7.2003      1.00000
     86      -6.8392      1.00000
     87      -6.8289      1.00000
     88      -6.6626      1.00000
     89      -6.5382      1.00000
     90      -6.3443      1.00000
     91      -6.3074      1.00000
     92      -6.1838      1.00000
     93      -6.1474      1.00000
     94      -5.9771      1.00000
     95      -5.5724      1.00000
     96      -5.4258      1.00000
     97      -5.2584      1.00000
     98      -5.2520      1.00000
     99      -5.1488      1.00000
    100      -4.6956      1.00000
    101      -4.6649      1.00000
    102      -4.3491      1.00000
    103      -4.3166      1.00000
    104      -3.9652      1.00000
    105      -3.8316      1.00000
    106      -3.3891      1.00000
    107      -2.2199      0.00000
    108      -1.3766      0.00000
    109      -1.2862      0.00000
    110      -1.1728      0.00000
    111      -1.0774      0.00000
    112      -0.8935      0.00000
    113      -0.7677      0.00000
    114      -0.7569      0.00000
    115      -0.2168      0.00000
    116       0.1138      0.00000
    117       0.2638      0.00000
    118       0.3461      0.00000
    119       0.7365      0.00000
    120       0.9039      0.00000
    121       0.9724      0.00000
    122       1.0959      0.00000
    123       1.2111      0.00000
    124       1.5311      0.00000
    125       1.5667      0.00000
    126       1.7194      0.00000
    127       1.8392      0.00000
    128       1.8629      0.00000
    129       1.9714      0.00000
    130       2.0035      0.00000
    131       2.1616      0.00000
    132       2.2726      0.00000
    133       2.4597      0.00000
    134       2.4714      0.00000
    135       2.5075      0.00000
    136       2.6665      0.00000
    137       2.6878      0.00000
    138       2.7351      0.00000
    139       2.7479      0.00000
    140       2.8976      0.00000
    141       3.0259      0.00000
    142       3.0874      0.00000
    143       3.1943      0.00000
    144       3.2570      0.00000
    145       3.2632      0.00000
    146       3.2743      0.00000
    147       3.3658      0.00000
    148       3.4867      0.00000
    149       3.5327      0.00000
    150       3.6998      0.00000
    151       3.7634      0.00000
    152       3.7713      0.00000
    153       3.8389      0.00000
    154       3.8850      0.00000
    155       3.9474      0.00000
    156       3.9865      0.00000
    157       4.0253      0.00000
    158       4.0540      0.00000
    159       4.0595      0.00000
    160       4.0887      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1415      1.00000
      2     -22.0462      1.00000
      3     -21.8861      1.00000
      4     -21.3341      1.00000
      5     -20.9813      1.00000
      6     -20.9427      1.00000
      7     -20.4329      1.00000
      8     -20.3902      1.00000
      9     -20.2261      1.00000
     10     -20.2046      1.00000
     11     -19.8886      1.00000
     12     -19.8210      1.00000
     13     -18.8144      1.00000
     14     -18.7433      1.00000
     15     -18.2895      1.00000
     16     -18.2360      1.00000
     17     -18.0854      1.00000
     18     -18.0653      1.00000
     19     -17.7611      1.00000
     20     -17.7187      1.00000
     21     -17.1884      1.00000
     22     -17.1696      1.00000
     23     -17.0991      1.00000
     24     -17.0634      1.00000
     25     -16.0374      1.00000
     26     -15.8226      1.00000
     27     -15.7992      1.00000
     28     -15.7643      1.00000
     29     -15.1733      1.00000
     30     -14.4909      1.00000
     31     -14.4580      1.00000
     32     -14.2175      1.00000
     33     -13.8946      1.00000
     34     -13.8899      1.00000
     35     -13.7556      1.00000
     36     -13.7356      1.00000
     37     -13.5513      1.00000
     38     -13.5027      1.00000
     39     -13.2995      1.00000
     40     -12.5639      1.00000
     41     -12.1251      1.00000
     42     -12.0657      1.00000
     43     -12.0096      1.00000
     44     -11.9512      1.00000
     45     -11.6107      1.00000
     46     -11.5877      1.00000
     47     -11.0852      1.00000
     48     -11.0516      1.00000
     49     -10.7534      1.00000
     50     -10.6637      1.00000
     51     -10.5272      1.00000
     52     -10.1484      1.00000
     53     -10.1380      1.00000
     54     -10.0956      1.00000
     55      -9.9528      1.00000
     56      -9.9474      1.00000
     57      -9.9167      1.00000
     58      -9.7376      1.00000
     59      -9.7307      1.00000
     60      -9.7005      1.00000
     61      -9.6905      1.00000
     62      -9.4298      1.00000
     63      -9.3628      1.00000
     64      -9.0870      1.00000
     65      -9.0063      1.00000
     66      -8.9743      1.00000
     67      -8.8876      1.00000
     68      -8.8109      1.00000
     69      -8.6582      1.00000
     70      -8.6347      1.00000
     71      -8.5790      1.00000
     72      -8.4780      1.00000
     73      -8.4673      1.00000
     74      -8.3979      1.00000
     75      -8.3938      1.00000
     76      -8.1835      1.00000
     77      -8.1144      1.00000
     78      -7.9768      1.00000
     79      -7.9154      1.00000
     80      -7.8467      1.00000
     81      -7.6180      1.00000
     82      -7.5297      1.00000
     83      -7.4689      1.00000
     84      -7.2573      1.00000
     85      -6.9346      1.00000
     86      -6.8574      1.00000
     87      -6.8108      1.00000
     88      -6.5752      1.00000
     89      -6.4668      1.00000
     90      -6.4202      1.00000
     91      -6.3563      1.00000
     92      -6.0525      1.00000
     93      -5.8780      1.00000
     94      -5.7529      1.00000
     95      -5.7213      1.00000
     96      -5.4774      1.00000
     97      -5.3463      1.00000
     98      -5.1800      1.00000
     99      -5.1558      1.00000
    100      -5.1544      1.00000
    101      -4.7077      1.00000
    102      -4.4412      1.00000
    103      -4.2565      1.00000
    104      -3.9969      1.00000
    105      -3.8304      1.00000
    106      -3.1556      1.00000
    107      -2.4627      0.00000
    108      -1.3784      0.00000
    109      -1.2411      0.00000
    110      -1.1458      0.00000
    111      -1.1142      0.00000
    112      -0.5630      0.00000
    113      -0.4344      0.00000
    114      -0.4293      0.00000
    115      -0.3099      0.00000
    116      -0.1896      0.00000
    117       0.0621      0.00000
    118       0.1176      0.00000
    119       0.5405      0.00000
    120       0.6844      0.00000
    121       0.8732      0.00000
    122       0.9706      0.00000
    123       1.1135      0.00000
    124       1.4976      0.00000
    125       1.6643      0.00000
    126       1.8086      0.00000
    127       1.8804      0.00000
    128       2.0970      0.00000
    129       2.1419      0.00000
    130       2.1985      0.00000
    131       2.2164      0.00000
    132       2.3405      0.00000
    133       2.3645      0.00000
    134       2.4893      0.00000
    135       2.5822      0.00000
    136       2.6723      0.00000
    137       2.8811      0.00000
    138       2.9383      0.00000
    139       2.9684      0.00000
    140       2.9991      0.00000
    141       3.0453      0.00000
    142       3.1533      0.00000
    143       3.1828      0.00000
    144       3.2506      0.00000
    145       3.2931      0.00000
    146       3.3344      0.00000
    147       3.3507      0.00000
    148       3.3816      0.00000
    149       3.4182      0.00000
    150       3.4991      0.00000
    151       3.5586      0.00000
    152       3.6372      0.00000
    153       3.6976      0.00000
    154       3.7122      0.00000
    155       3.7307      0.00000
    156       3.9227      0.00000
    157       3.9407      0.00000
    158       4.0628      0.00000
    159       4.0942      0.00000
    160       4.2075      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2473      1.00000
      2     -21.8946      1.00000
      3     -21.8210      1.00000
      4     -21.3158      1.00000
      5     -21.2768      1.00000
      6     -20.7710      1.00000
      7     -20.7020      1.00000
      8     -20.5540      1.00000
      9     -20.0223      1.00000
     10     -19.9898      1.00000
     11     -19.6499      1.00000
     12     -19.6187      1.00000
     13     -18.9430      1.00000
     14     -18.9081      1.00000
     15     -18.5836      1.00000
     16     -18.5460      1.00000
     17     -18.3916      1.00000
     18     -17.6016      1.00000
     19     -17.5702      1.00000
     20     -17.5407      1.00000
     21     -17.5080      1.00000
     22     -17.0740      1.00000
     23     -17.0270      1.00000
     24     -16.8996      1.00000
     25     -15.9450      1.00000
     26     -15.8506      1.00000
     27     -15.5329      1.00000
     28     -15.5061      1.00000
     29     -15.2089      1.00000
     30     -14.8135      1.00000
     31     -14.7608      1.00000
     32     -14.5091      1.00000
     33     -14.4674      1.00000
     34     -14.0957      1.00000
     35     -14.0927      1.00000
     36     -13.1044      1.00000
     37     -13.0292      1.00000
     38     -12.9564      1.00000
     39     -12.9491      1.00000
     40     -12.6555      1.00000
     41     -12.6269      1.00000
     42     -12.2737      1.00000
     43     -12.2466      1.00000
     44     -11.5727      1.00000
     45     -11.5531      1.00000
     46     -11.5001      1.00000
     47     -10.8780      1.00000
     48     -10.8685      1.00000
     49     -10.6833      1.00000
     50     -10.5248      1.00000
     51     -10.5203      1.00000
     52     -10.4330      1.00000
     53     -10.4153      1.00000
     54     -10.3697      1.00000
     55     -10.2875      1.00000
     56     -10.0608      1.00000
     57      -9.8315      1.00000
     58      -9.5589      1.00000
     59      -9.4843      1.00000
     60      -9.4449      1.00000
     61      -9.3552      1.00000
     62      -9.3387      1.00000
     63      -9.3074      1.00000
     64      -9.3020      1.00000
     65      -9.2056      1.00000
     66      -9.0990      1.00000
     67      -9.0679      1.00000
     68      -9.0487      1.00000
     69      -8.8517      1.00000
     70      -8.7962      1.00000
     71      -8.7777      1.00000
     72      -8.5266      1.00000
     73      -8.4973      1.00000
     74      -8.2280      1.00000
     75      -8.1292      1.00000
     76      -8.0925      1.00000
     77      -7.8067      1.00000
     78      -7.7672      1.00000
     79      -7.7388      1.00000
     80      -7.7031      1.00000
     81      -7.6351      1.00000
     82      -7.6244      1.00000
     83      -7.3879      1.00000
     84      -7.3442      1.00000
     85      -7.2197      1.00000
     86      -6.8434      1.00000
     87      -6.8200      1.00000
     88      -6.6402      1.00000
     89      -6.5292      1.00000
     90      -6.3410      1.00000
     91      -6.2728      1.00000
     92      -6.1952      1.00000
     93      -6.1314      1.00000
     94      -6.0213      1.00000
     95      -5.6382      1.00000
     96      -5.5085      1.00000
     97      -5.2975      1.00000
     98      -5.1558      1.00000
     99      -5.0402      1.00000
    100      -4.7269      1.00000
    101      -4.6853      1.00000
    102      -4.3678      1.00000
    103      -4.1860      1.00000
    104      -4.0100      1.00000
    105      -3.8299      1.00000
    106      -3.4836      1.00000
    107      -2.1639      0.00000
    108      -1.3829      0.00000
    109      -1.2354      0.00000
    110      -1.1844      0.00000
    111      -1.0137      0.00000
    112      -0.9557      0.00000
    113      -0.7971      0.00000
    114      -0.7518      0.00000
    115      -0.3645      0.00000
    116       0.2454      0.00000
    117       0.2769      0.00000
    118       0.3650      0.00000
    119       0.7025      0.00000
    120       0.8693      0.00000
    121       0.9660      0.00000
    122       1.1286      0.00000
    123       1.2381      0.00000
    124       1.4575      0.00000
    125       1.5597      0.00000
    126       1.7845      0.00000
    127       1.8519      0.00000
    128       1.8848      0.00000
    129       1.9903      0.00000
    130       2.0343      0.00000
    131       2.1996      0.00000
    132       2.2158      0.00000
    133       2.4059      0.00000
    134       2.4561      0.00000
    135       2.5547      0.00000
    136       2.6590      0.00000
    137       2.6854      0.00000
    138       2.7312      0.00000
    139       2.7724      0.00000
    140       2.8590      0.00000
    141       2.9692      0.00000
    142       3.0864      0.00000
    143       3.1910      0.00000
    144       3.2449      0.00000
    145       3.2616      0.00000
    146       3.2996      0.00000
    147       3.3390      0.00000
    148       3.4863      0.00000
    149       3.5139      0.00000
    150       3.7175      0.00000
    151       3.7274      0.00000
    152       3.7713      0.00000
    153       3.8651      0.00000
    154       3.8779      0.00000
    155       3.9030      0.00000
    156       4.0003      0.00000
    157       4.0022      0.00000
    158       4.0568      0.00000
    159       4.0681      0.00000
    160       4.0918      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3193      1.00000
      2     -21.7611      1.00000
      3     -21.5674      1.00000
      4     -21.5400      1.00000
      5     -21.2046      1.00000
      6     -21.1656      1.00000
      7     -20.9853      1.00000
      8     -20.0983      1.00000
      9     -20.0593      1.00000
     10     -19.5458      1.00000
     11     -19.5257      1.00000
     12     -19.3444      1.00000
     13     -19.0277      1.00000
     14     -18.9876      1.00000
     15     -18.9771      1.00000
     16     -18.9714      1.00000
     17     -18.2955      1.00000
     18     -18.2820      1.00000
     19     -17.9459      1.00000
     20     -17.0003      1.00000
     21     -16.9592      1.00000
     22     -16.8822      1.00000
     23     -16.8693      1.00000
     24     -16.4157      1.00000
     25     -16.3927      1.00000
     26     -15.5404      1.00000
     27     -15.5370      1.00000
     28     -15.1725      1.00000
     29     -15.1709      1.00000
     30     -15.1307      1.00000
     31     -15.0359      1.00000
     32     -15.0006      1.00000
     33     -14.6330      1.00000
     34     -14.6259      1.00000
     35     -13.6625      1.00000
     36     -13.6524      1.00000
     37     -13.1708      1.00000
     38     -12.5729      1.00000
     39     -12.5129      1.00000
     40     -12.3853      1.00000
     41     -12.3848      1.00000
     42     -12.0351      1.00000
     43     -12.0309      1.00000
     44     -11.6546      1.00000
     45     -11.6141      1.00000
     46     -11.2064      1.00000
     47     -11.1568      1.00000
     48     -10.9551      1.00000
     49     -10.9420      1.00000
     50     -10.8602      1.00000
     51     -10.8276      1.00000
     52     -10.6258      1.00000
     53     -10.1470      1.00000
     54     -10.0839      1.00000
     55     -10.0248      1.00000
     56      -9.9462      1.00000
     57      -9.6308      1.00000
     58      -9.6293      1.00000
     59      -9.6029      1.00000
     60      -9.5406      1.00000
     61      -9.5025      1.00000
     62      -9.4783      1.00000
     63      -9.2729      1.00000
     64      -9.2351      1.00000
     65      -9.2068      1.00000
     66      -9.1791      1.00000
     67      -9.0619      1.00000
     68      -9.0467      1.00000
     69      -9.0430      1.00000
     70      -8.8766      1.00000
     71      -8.8082      1.00000
     72      -8.5367      1.00000
     73      -8.5328      1.00000
     74      -8.5019      1.00000
     75      -8.0310      1.00000
     76      -7.8321      1.00000
     77      -7.8006      1.00000
     78      -7.7734      1.00000
     79      -7.7028      1.00000
     80      -7.6843      1.00000
     81      -7.4143      1.00000
     82      -7.2872      1.00000
     83      -7.2511      1.00000
     84      -7.2030      1.00000
     85      -7.0822      1.00000
     86      -7.0750      1.00000
     87      -6.9376      1.00000
     88      -6.7116      1.00000
     89      -6.6742      1.00000
     90      -6.6287      1.00000
     91      -6.5569      1.00000
     92      -6.0717      1.00000
     93      -6.0313      1.00000
     94      -6.0012      1.00000
     95      -5.9367      1.00000
     96      -5.8008      1.00000
     97      -5.1828      1.00000
     98      -4.8960      1.00000
     99      -4.7938      1.00000
    100      -4.6106      1.00000
    101      -4.5123      1.00000
    102      -4.1404      1.00000
    103      -4.0919      1.00000
    104      -3.9306      1.00000
    105      -3.9167      1.00000
    106      -3.8289      1.00000
    107      -1.7515      0.00000
    108      -1.6954      0.00000
    109      -1.4100      0.00000
    110      -1.3707      0.00000
    111      -1.2640      0.00000
    112      -1.2358      0.00000
    113      -0.6227      0.00000
    114      -0.5981      0.00000
    115      -0.1900      0.00000
    116       0.0433      0.00000
    117       0.5860      0.00000
    118       0.7411      0.00000
    119       0.8503      0.00000
    120       0.9291      0.00000
    121       1.1677      0.00000
    122       1.2122      0.00000
    123       1.2481      0.00000
    124       1.4223      0.00000
    125       1.6006      0.00000
    126       1.6433      0.00000
    127       1.7070      0.00000
    128       1.8072      0.00000
    129       1.9231      0.00000
    130       1.9403      0.00000
    131       2.1528      0.00000
    132       2.1754      0.00000
    133       2.2633      0.00000
    134       2.3052      0.00000
    135       2.5458      0.00000
    136       2.5638      0.00000
    137       2.6388      0.00000
    138       2.7633      0.00000
    139       2.8142      0.00000
    140       2.8474      0.00000
    141       2.8941      0.00000
    142       2.9467      0.00000
    143       3.0185      0.00000
    144       3.0316      0.00000
    145       3.0937      0.00000
    146       3.3202      0.00000
    147       3.3719      0.00000
    148       3.4182      0.00000
    149       3.4827      0.00000
    150       3.6092      0.00000
    151       3.6594      0.00000
    152       3.6695      0.00000
    153       3.6819      0.00000
    154       3.8975      0.00000
    155       3.9840      0.00000
    156       4.0314      0.00000
    157       4.0772      0.00000
    158       4.2410      0.00000
    159       4.2597      0.00000
    160       4.2739      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1406      1.00000
      2     -22.0477      1.00000
      3     -21.8856      1.00000
      4     -21.3350      1.00000
      5     -20.9763      1.00000
      6     -20.9468      1.00000
      7     -20.4276      1.00000
      8     -20.3956      1.00000
      9     -20.2156      1.00000
     10     -20.2138      1.00000
     11     -19.8874      1.00000
     12     -19.8235      1.00000
     13     -18.8173      1.00000
     14     -18.7464      1.00000
     15     -18.2656      1.00000
     16     -18.2513      1.00000
     17     -18.0798      1.00000
     18     -18.0733      1.00000
     19     -17.7457      1.00000
     20     -17.7297      1.00000
     21     -17.1945      1.00000
     22     -17.1712      1.00000
     23     -17.0886      1.00000
     24     -17.0675      1.00000
     25     -16.0536      1.00000
     26     -15.8080      1.00000
     27     -15.7985      1.00000
     28     -15.7773      1.00000
     29     -15.1589      1.00000
     30     -14.4853      1.00000
     31     -14.4638      1.00000
     32     -14.2039      1.00000
     33     -13.9163      1.00000
     34     -13.8864      1.00000
     35     -13.7587      1.00000
     36     -13.7386      1.00000
     37     -13.5360      1.00000
     38     -13.5100      1.00000
     39     -13.3010      1.00000
     40     -12.5764      1.00000
     41     -12.1010      1.00000
     42     -12.0768      1.00000
     43     -11.9982      1.00000
     44     -11.9505      1.00000
     45     -11.6057      1.00000
     46     -11.5978      1.00000
     47     -11.0843      1.00000
     48     -11.0609      1.00000
     49     -10.7320      1.00000
     50     -10.6641      1.00000
     51     -10.5607      1.00000
     52     -10.1396      1.00000
     53     -10.1349      1.00000
     54     -10.1003      1.00000
     55      -9.9661      1.00000
     56      -9.9251      1.00000
     57      -9.9209      1.00000
     58      -9.7509      1.00000
     59      -9.7289      1.00000
     60      -9.6973      1.00000
     61      -9.6946      1.00000
     62      -9.4013      1.00000
     63      -9.3888      1.00000
     64      -9.0691      1.00000
     65      -8.9823      1.00000
     66      -8.9812      1.00000
     67      -8.9060      1.00000
     68      -8.8117      1.00000
     69      -8.6496      1.00000
     70      -8.6337      1.00000
     71      -8.5489      1.00000
     72      -8.5018      1.00000
     73      -8.4822      1.00000
     74      -8.3942      1.00000
     75      -8.3821      1.00000
     76      -8.2097      1.00000
     77      -8.1022      1.00000
     78      -8.0070      1.00000
     79      -7.9018      1.00000
     80      -7.8433      1.00000
     81      -7.6216      1.00000
     82      -7.5323      1.00000
     83      -7.4571      1.00000
     84      -7.2540      1.00000
     85      -6.9429      1.00000
     86      -6.8689      1.00000
     87      -6.8095      1.00000
     88      -6.4778      1.00000
     89      -6.4686      1.00000
     90      -6.4089      1.00000
     91      -6.3596      1.00000
     92      -6.1926      1.00000
     93      -5.8579      1.00000
     94      -5.7374      1.00000
     95      -5.7110      1.00000
     96      -5.5245      1.00000
     97      -5.3290      1.00000
     98      -5.1721      1.00000
     99      -5.1673      1.00000
    100      -5.1337      1.00000
    101      -4.6961      1.00000
    102      -4.3482      1.00000
    103      -4.2816      1.00000
    104      -4.0304      1.00000
    105      -3.8314      1.00000
    106      -3.2327      1.00000
    107      -2.4047      0.00000
    108      -1.3449      0.00000
    109      -1.2436      0.00000
    110      -1.1529      0.00000
    111      -1.1081      0.00000
    112      -0.5819      0.00000
    113      -0.5213      0.00000
    114      -0.4336      0.00000
    115      -0.2748      0.00000
    116      -0.0696      0.00000
    117      -0.0103      0.00000
    118       0.0600      0.00000
    119       0.5833      0.00000
    120       0.7111      0.00000
    121       0.8115      0.00000
    122       0.9468      0.00000
    123       1.1856      0.00000
    124       1.5134      0.00000
    125       1.6218      0.00000
    126       1.8653      0.00000
    127       2.0072      0.00000
    128       2.0529      0.00000
    129       2.1177      0.00000
    130       2.1556      0.00000
    131       2.2648      0.00000
    132       2.2863      0.00000
    133       2.3494      0.00000
    134       2.4623      0.00000
    135       2.6132      0.00000
    136       2.7037      0.00000
    137       2.8229      0.00000
    138       2.9151      0.00000
    139       2.9437      0.00000
    140       3.0203      0.00000
    141       3.0527      0.00000
    142       3.1596      0.00000
    143       3.1653      0.00000
    144       3.2297      0.00000
    145       3.3007      0.00000
    146       3.3137      0.00000
    147       3.3548      0.00000
    148       3.3749      0.00000
    149       3.4196      0.00000
    150       3.4554      0.00000
    151       3.5683      0.00000
    152       3.6170      0.00000
    153       3.7040      0.00000
    154       3.7285      0.00000
    155       3.8513      0.00000
    156       3.9102      0.00000
    157       3.9339      0.00000
    158       3.9648      0.00000
    159       4.1524      0.00000
    160       4.1865      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2133      1.00000
      2     -22.0080      1.00000
      3     -21.6461      1.00000
      4     -21.6146      1.00000
      5     -20.9096      1.00000
      6     -20.8688      1.00000
      7     -20.5390      1.00000
      8     -20.5063      1.00000
      9     -20.4995      1.00000
     10     -19.9622      1.00000
     11     -19.4406      1.00000
     12     -19.4186      1.00000
     13     -19.2397      1.00000
     14     -19.2325      1.00000
     15     -18.3760      1.00000
     16     -18.3408      1.00000
     17     -17.8586      1.00000
     18     -17.8425      1.00000
     19     -17.6912      1.00000
     20     -17.6551      1.00000
     21     -17.3720      1.00000
     22     -17.3577      1.00000
     23     -17.2671      1.00000
     24     -16.4133      1.00000
     25     -16.3895      1.00000
     26     -15.9045      1.00000
     27     -15.3433      1.00000
     28     -15.3383      1.00000
     29     -15.0309      1.00000
     30     -15.0210      1.00000
     31     -14.7763      1.00000
     32     -14.7740      1.00000
     33     -14.2375      1.00000
     34     -14.1868      1.00000
     35     -13.3876      1.00000
     36     -13.3332      1.00000
     37     -13.1110      1.00000
     38     -13.1027      1.00000
     39     -12.9177      1.00000
     40     -12.9120      1.00000
     41     -12.5453      1.00000
     42     -12.5374      1.00000
     43     -12.1335      1.00000
     44     -11.5136      1.00000
     45     -11.4689      1.00000
     46     -11.2445      1.00000
     47     -11.2127      1.00000
     48     -11.0866      1.00000
     49     -10.7071      1.00000
     50     -10.5954      1.00000
     51     -10.5093      1.00000
     52     -10.2514      1.00000
     53     -10.2472      1.00000
     54     -10.1220      1.00000
     55     -10.0541      1.00000
     56     -10.0384      1.00000
     57      -9.7852      1.00000
     58      -9.6869      1.00000
     59      -9.6732      1.00000
     60      -9.6375      1.00000
     61      -9.6277      1.00000
     62      -9.5853      1.00000
     63      -9.2957      1.00000
     64      -9.2834      1.00000
     65      -9.2527      1.00000
     66      -9.0662      1.00000
     67      -8.8949      1.00000
     68      -8.8836      1.00000
     69      -8.7182      1.00000
     70      -8.5823      1.00000
     71      -8.5257      1.00000
     72      -8.3509      1.00000
     73      -8.3049      1.00000
     74      -8.2433      1.00000
     75      -8.2380      1.00000
     76      -8.1945      1.00000
     77      -8.1809      1.00000
     78      -8.1692      1.00000
     79      -8.1090      1.00000
     80      -7.6899      1.00000
     81      -7.4195      1.00000
     82      -7.3435      1.00000
     83      -7.2578      1.00000
     84      -7.1687      1.00000
     85      -7.1102      1.00000
     86      -7.0040      1.00000
     87      -6.9037      1.00000
     88      -6.8473      1.00000
     89      -6.5416      1.00000
     90      -6.4986      1.00000
     91      -6.2146      1.00000
     92      -6.2014      1.00000
     93      -5.8944      1.00000
     94      -5.6740      1.00000
     95      -5.6087      1.00000
     96      -5.5802      1.00000
     97      -5.2532      1.00000
     98      -5.2311      1.00000
     99      -5.1647      1.00000
    100      -5.1343      1.00000
    101      -4.6003      1.00000
    102      -4.2514      1.00000
    103      -4.0468      1.00000
    104      -3.8842      1.00000
    105      -3.8433      1.00000
    106      -3.8006      1.00000
    107      -1.8076      0.00000
    108      -1.7800      0.00000
    109      -1.2248      0.00000
    110      -1.1754      0.00000
    111      -0.9736      0.00000
    112      -0.7339      0.00000
    113      -0.6499      0.00000
    114      -0.5935      0.00000
    115      -0.5496      0.00000
    116      -0.1509      0.00000
    117       0.1766      0.00000
    118       0.2881      0.00000
    119       0.7073      0.00000
    120       0.9516      0.00000
    121       1.1690      0.00000
    122       1.2783      0.00000
    123       1.3485      0.00000
    124       1.5149      0.00000
    125       1.6098      0.00000
    126       1.6294      0.00000
    127       1.6929      0.00000
    128       1.7752      0.00000
    129       1.8671      0.00000
    130       2.0813      0.00000
    131       2.1689      0.00000
    132       2.3197      0.00000
    133       2.3971      0.00000
    134       2.4251      0.00000
    135       2.5597      0.00000
    136       2.6269      0.00000
    137       2.6888      0.00000
    138       2.7480      0.00000
    139       2.8207      0.00000
    140       2.9108      0.00000
    141       3.0567      0.00000
    142       3.0634      0.00000
    143       3.1874      0.00000
    144       3.2854      0.00000
    145       3.3824      0.00000
    146       3.4183      0.00000
    147       3.4636      0.00000
    148       3.5491      0.00000
    149       3.5796      0.00000
    150       3.6371      0.00000
    151       3.6680      0.00000
    152       3.7019      0.00000
    153       3.7909      0.00000
    154       3.8027      0.00000
    155       3.8278      0.00000
    156       3.8975      0.00000
    157       3.9112      0.00000
    158       3.9841      0.00000
    159       4.1916      0.00000
    160       4.2388      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0400   -7.2556    3.9847   -1.1327   -0.1857   17.3764    0.4906   -0.8143    0.7717   -0.4772
x    -3.1250   -0.0255   -0.0212   -0.0254    0.0910   -3.0537    0.0298   -0.0244    0.0084    0.0018
x    -0.0954   -0.0029    0.0035   -0.0031    0.0022   -0.0242    0.0000    0.0000   -0.0001    0.0001
x    -0.0035   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0400    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0035    0.0000    0.0004    0.0007    0.0028   -0.0985   -0.0317    0.0620    0.0183
y     0.0233   -3.2428   -0.1783    0.1700   -2.4132   -0.6649
z   204.0400    1.7391    0.2894    0.0891   -0.0013    0.0777   -0.0019    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1048    0.0015   -0.0010   -0.0001    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0013   -0.0001    0.0001    0.0000
z    -0.0001    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  -16.6959
z     0.1385    0.2300   -0.0310    0.0576   -0.0903    0.0006
 total charge-density along one line
x   212.0000  -10.0867    5.9315   -1.9416   -0.4213   19.2955   -0.6586    0.2078    0.0670   -0.1069
x    -2.7050   -0.0092    0.0011   -0.0443    0.0966   -2.3450    0.0473   -0.0345    0.0118    0.0024
x    -0.0855   -0.0054    0.0083   -0.0079    0.0054   -0.0375    0.0000   -0.0001    0.0003   -0.0004
x    -0.0054    0.0000   -0.0002    0.0001    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  -10.0867    5.9315   -1.9416   -0.4213   19.2955   -0.6586    0.2078    0.0670   -0.1069
y    -2.7050   -0.0092    0.0011   -0.0443    0.0966   -2.3450    0.0473   -0.0345    0.0118    0.0024
y    -0.0855   -0.0054    0.0083   -0.0079    0.0054   -0.0375    0.0000   -0.0001    0.0003   -0.0004
y    -0.0054    0.0000   -0.0002    0.0001    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 -205.3081  188.8769 -170.1728  154.0892 -140.4066  126.5001 -111.0192   94.7498  -79.0860
z    64.7214  -51.7875   40.5544  -31.5053   24.7850  -19.8606   15.8621  -12.2151    8.9097   -6.2236
z     4.2923   -2.9597    1.9615   -1.1532    0.5427   -0.1573   -0.0608    0.2213   -0.3836    0.5186
z    -0.5686    0.5252   -0.4414    0.3769   -0.3478    0.3292   -0.2950    0.2452   -0.1976    0.1643
z    -0.1415    0.1197   -0.0959    0.0749   -0.0611    0.0533   -0.0469    0.0391   -0.0314    0.0258
z    -0.0227    0.0203   -0.0173    0.0141   -0.0113    0.0093   -0.0076    0.0058   -0.0043    0.0032
z    -0.0022    0.0013   -0.0004   -0.0002    0.0004   -0.0004    0.0005   -0.0008    0.0009   -0.0007
z     0.0004   -0.0002    0.0001   -0.0001    0.0000    0.0001   -0.0003    0.0003   -0.0004    0.0003
z    -0.0003    0.0003   -0.0002    0.0002   -0.0002    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001
z     0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 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
-10.941   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.269   0.000  -0.101   0.000   0.000   0.239   0.000
  0.041   0.000 -11.246   0.000  -0.024  -0.006   0.000   0.238
  0.000  -0.101   0.000 -11.153   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.938   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.238   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.226   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.199   0.000   0.000   0.000
  0.036   0.000   0.101   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.025   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.941   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.269   0.000  -0.101   0.000   0.000   0.239   0.000
  0.041   0.000 -11.246   0.000  -0.024  -0.006   0.000   0.238
  0.000  -0.101   0.000 -11.153   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.938   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.238   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.226   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.199   0.000   0.000   0.000
  0.036   0.000   0.101   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.025   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.960   0.000  -0.027   0.000   0.002   0.021   0.000   0.057   0.000  -0.014  -0.026   0.025   0.000  -0.001   0.000   0.000
  0.000   1.587   0.000  -0.146   0.000   0.000   0.594   0.000   0.259   0.000   0.000   0.000   0.160   0.000   0.106  -0.035
 -0.027   0.000   1.788   0.000   0.019   0.043   0.000   0.356   0.000  -0.026  -0.233  -0.044   0.000   0.096   0.000   0.000
  0.000  -0.146   0.000   1.755   0.000   0.000   0.259   0.000   0.295   0.000   0.000   0.000   0.108   0.000   0.038   0.005
  0.002   0.000   0.019   0.000   1.966  -0.014   0.000  -0.035   0.000   0.003   0.010  -0.015   0.000   0.003   0.000   0.000
  0.021   0.000   0.043   0.000  -0.014   0.063   0.000   0.101   0.000  -0.024   0.191  -0.052   0.000   0.116   0.000   0.000
  0.000   0.594   0.000   0.259   0.000   0.000   0.329   0.000   0.106   0.000   0.000   0.000   0.056   0.000   0.066  -0.011
  0.057   0.000   0.356   0.000  -0.035   0.101   0.000   0.566   0.000  -0.057   0.703  -0.293   0.000   0.087   0.000   0.000
  0.000   0.259   0.000   0.295   0.000   0.000   0.106   0.000   0.207   0.000   0.000   0.000   0.065   0.000  -0.020  -0.006
 -0.014   0.000  -0.026   0.000   0.003  -0.024   0.000  -0.057   0.000   0.036  -0.109   0.030   0.000  -0.068   0.000   0.000
 -0.026   0.000  -0.233   0.000   0.010   0.191   0.000   0.703   0.000  -0.109   1.352  -0.433   0.000   0.265   0.000   0.000
  0.025   0.000  -0.044   0.000  -0.015  -0.052   0.000  -0.293   0.000   0.030  -0.433   0.193   0.000  -0.034   0.000   0.000
  0.000   0.160   0.000   0.108   0.000   0.000   0.056   0.000   0.065   0.000   0.000   0.000   0.043   0.000   0.012  -0.004
 -0.001   0.000   0.096   0.000   0.003   0.116   0.000   0.087   0.000  -0.068   0.265  -0.034   0.000   0.311   0.000   0.000
  0.000   0.106   0.000   0.038   0.000   0.000   0.066   0.000  -0.020   0.000   0.000   0.000   0.012   0.000   0.031  -0.002
  0.000  -0.035   0.000   0.005   0.000   0.000  -0.011   0.000  -0.006   0.000   0.000   0.000  -0.004   0.000  -0.002   0.001
  0.001   0.000  -0.037   0.000  -0.001  -0.005   0.000  -0.009   0.000   0.003  -0.007   0.000   0.000  -0.014   0.000   0.000
  0.000   0.005   0.000  -0.041   0.000   0.000  -0.006   0.000  -0.004   0.000   0.000   0.000  -0.002   0.000  -0.002   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        0.639   0.278   8.027   8.943
  2        0.514   0.028   0.000   0.542
  3        0.514   0.028   0.000   0.542
  4        0.864   1.783   0.000   2.647
  5        0.864   1.783   0.000   2.646
  6        0.864   1.782   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   1.783   0.000   2.647
 10        0.864   1.784   0.000   2.648
 11        0.863   1.783   0.000   2.646
 12        0.864   1.784   0.000   2.648
 13        0.864   1.783   0.000   2.646
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.863   1.777   0.000   2.640
 17        0.856   1.772   0.000   2.629
 18        0.864   1.784   0.000   2.647
 19        0.864   1.782   0.000   2.646
 20        0.864   1.782   0.000   2.645
 21        0.863   1.781   0.000   2.644
 22        0.863   1.776   0.000   2.639
 23        0.863   1.783   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   1.783   0.000   2.647
 29        0.864   1.783   0.000   2.646
 30        0.864   1.783   0.000   2.647
 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   1.782   0.000   2.646
 35        0.863   1.783   0.000   2.646
 36        0.863   1.776   0.000   2.639
 37        0.863   1.781   0.000   2.644
 38        0.864   1.782   0.000   2.645
 39        0.864   1.784   0.000   2.648
 40        0.864   1.784   0.000   2.647
 41        0.856   1.772   0.000   2.629
 42        0.863   1.777   0.000   2.640
 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   2.646
 46        0.864   1.784   0.000   2.648
 47        0.863   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   1.783   0.000   2.647
 51        0.864   1.784   0.000   2.648
 52        0.864   1.782   0.000   2.646
 53        0.864   1.783   0.000   2.646
------------------------------------------------
tot       44.832  89.435   8.027 142.293
 


 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   90.53: CPU time   45.62
    FORLOC:  VPU time    1.10: CPU time    1.09
    FORNL :  VPU time  363.78: CPU time  182.15
    STRESS:  VPU time 1093.59: CPU time  549.49
    FORCOR:  VPU time    7.43: CPU time    7.43
    FORHAR:  VPU time    1.97: CPU time    1.97
    MIXING:  VPU time    0.13: CPU time    0.13
 d Force = 0.6778940E-07[ 0.680E-07, 0.676E-07]  d Energy =-0.3747118E-06 0.443E-06
 d Force = 0.1319754E-02[ 0.132E-02, 0.132E-02]  d Ewald  =-0.2178503E-02 0.350E-02


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.644752 eV

  energy  without entropy=     -471.644752  energy(sigma->0) =     -471.644752
 

  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    40729.60  40746.33 -47430.97     14.49      0.00      0.00
  Hartree  40195.72  40199.51 -39450.13      3.29      0.00      0.00
  E(xc)     -779.74   -779.55   -807.27      0.17      0.00      0.00
  Local   -83218.56 -83232.96  84198.54    -12.47      0.00      0.00
  n-local   -215.77   -215.66   -203.79     -0.16      0.00      0.00
  augment     22.10     20.53     17.35     -1.35      0.00      0.00
  Kinetic   3168.71   3171.42   3582.14     -6.11      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.25     -0.22     -0.19      0.03      0.00      0.00
  in kB       -0.15     -0.13     -0.11      0.02      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
    12.347722929  0.001559984  0.000000000     0.080980687  0.046740649  0.000000000
    -6.172517122 10.694217779  0.000000000    -0.000011813  0.093501657  0.000000000
     0.000000000  0.000000000 19.976408029     0.000000000  0.000000000  0.050059050

  length of vectors
    12.347723028 12.347722928 19.976408029     0.093501657  0.093501658  0.050059050


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.417E-05 -.456E-04 -.960E+03   0.435E-05 -.275E-04 0.968E+03   0.853E-21 0.000E+00 -.786E+01   0.140E-07 -.816E-08 0.827E-04
   -.175E+02 -.304E+02 -.136E+03   0.184E+02 0.318E+02 0.139E+03   -.829E+00 -.144E+01 -.258E+01   -.268E-05 -.574E-05 -.734E-06
   0.175E+02 0.304E+02 -.136E+03   -.184E+02 -.318E+02 0.139E+03   0.829E+00 0.144E+01 -.258E+01   0.269E-05 0.574E-05 -.734E-06
   -.197E+01 0.114E+01 0.169E+02   0.198E+01 -.114E+01 -.169E+02   -.872E-02 0.504E-02 -.694E-02   0.303E-04 -.204E-04 0.518E-05
   0.579E+01 0.691E+01 0.196E+02   -.580E+01 -.695E+01 -.196E+02   0.634E-02 0.328E-01 -.208E-01   0.264E-04 -.247E-04 0.271E-05
   0.113E+02 0.504E+01 0.183E+02   -.113E+02 -.505E+01 -.183E+02   0.232E-01 0.886E-02 -.557E-01   0.185E-04 -.102E-04 0.245E-05
   0.453E+01 -.103E+01 0.164E+02   -.455E+01 0.104E+01 -.164E+02   0.201E-01 -.170E-01 -.283E-02   0.237E-04 -.169E-04 0.653E-05
   -.293E+01 -.240E+01 0.149E+02   0.294E+01 0.241E+01 -.149E+02   -.142E-01 -.149E-01 -.256E-02   0.309E-04 -.241E-04 0.657E-05
   0.611E+00 0.373E+01 0.149E+02   -.617E+00 -.375E+01 -.149E+02   0.578E-02 0.197E-01 -.256E-02   0.309E-04 -.208E-04 0.291E-05
   0.274E+01 0.182E+02 0.245E+02   -.275E+01 -.183E+02 -.245E+02   0.101E-01 0.112E+00 -.107E-01   0.288E-04 -.177E-04 -.675E-05
   0.215E+02 0.227E+02 0.400E+02   -.216E+02 -.229E+02 -.400E+02   0.117E+00 0.228E+00 -.146E-01   0.131E-04 -.268E-04 -.247E-04
   0.265E+02 -.450E+01 0.271E+02   -.268E+02 0.461E+01 -.270E+02   0.237E+00 -.120E+00 -.557E-01   0.155E-04 -.197E-04 0.155E-05
   0.916E+01 -.529E+01 0.154E+02   -.918E+01 0.530E+01 -.155E+02   0.190E-01 -.110E-01 0.133E-02   0.309E-04 -.241E-04 0.547E-05
   0.316E+01 -.341E+01 0.164E+02   -.318E+01 0.342E+01 -.164E+02   0.248E-01 -.890E-02 -.283E-02   0.243E-04 -.163E-04 -.188E-05
   -.604E+01 0.132E+02 0.201E+02   0.605E+01 -.133E+02 -.201E+02   -.624E-02 0.756E-01 -.771E-02   0.308E-04 -.180E-04 -.618E-05
   -.123E+02 0.335E+02 0.462E+02   0.124E+02 -.342E+02 -.465E+02   -.903E-01 0.681E+00 0.352E+00   0.452E-04 -.258E-04 -.131E-04
   0.265E+02 -.153E+02 0.696E+02   -.275E+02 0.159E+02 -.717E+02   0.977E+00 -.564E+00 0.210E+01   0.142E-04 -.109E-04 0.597E-05
   0.172E+02 -.207E+02 0.271E+02   -.174E+02 0.209E+02 -.270E+02   0.222E+00 -.145E+00 -.557E-01   0.226E-04 -.112E-04 -.330E-05
   0.126E+01 -.123E+02 0.183E+02   -.127E+01 0.123E+02 -.183E+02   0.391E-02 -.245E-01 -.557E-01   0.211E-04 -.121E-04 -.305E-05
   -.387E+01 0.156E+01 0.144E+02   0.387E+01 -.157E+01 -.143E+02   -.678E-02 0.243E-02 -.404E-01   0.275E-04 -.187E-04 0.160E-05
   -.182E+02 0.105E+02 0.210E+02   0.183E+02 -.106E+02 -.209E+02   -.634E-01 0.366E-01 -.128E+00   0.426E-04 -.210E-04 0.512E-05
   -.352E+02 -.611E+01 0.462E+02   0.358E+02 0.637E+01 -.465E+02   -.635E+00 -.262E+00 0.352E+00   0.482E-04 -.270E-04 -.989E-05
   -.889E+01 -.299E+02 0.400E+02   0.903E+01 0.301E+02 -.400E+02   -.139E+00 -.215E+00 -.146E-01   0.329E-04 -.246E-05 -.266E-04
   -.309E+01 -.847E+01 0.196E+02   0.312E+01 0.849E+01 -.196E+02   -.252E-01 -.219E-01 -.208E-01   0.364E-04 -.125E-04 0.196E-05
   0.126E+01 -.730E+00 0.146E+02   -.126E+01 0.729E+00 -.146E+02   -.162E-02 0.936E-03 -.316E-01   0.293E-04 -.149E-04 0.521E-05
   -.329E+01 0.257E+01 0.144E+02   0.329E+01 -.257E+01 -.143E+02   -.550E-02 0.466E-02 -.404E-01   0.317E-04 -.995E-05 0.636E-05
   -.144E+02 -.136E+01 0.201E+02   0.145E+02 0.139E+01 -.201E+02   -.686E-01 -.324E-01 -.771E-02   0.328E-04 -.192E-04 0.151E-05
   -.144E+02 -.115E+02 0.245E+02   0.145E+02 0.115E+02 -.245E+02   -.916E-01 -.646E-01 -.107E-01   0.315E-04 -.213E-04 -.383E-05
   0.309E+01 0.847E+01 0.196E+02   -.312E+01 -.849E+01 -.196E+02   0.252E-01 0.219E-01 -.208E-01   -.364E-04 0.125E-04 0.196E-05
   0.144E+02 0.115E+02 0.245E+02   -.145E+02 -.115E+02 -.245E+02   0.916E-01 0.646E-01 -.107E-01   -.315E-04 0.213E-04 -.383E-05
   0.144E+02 0.136E+01 0.201E+02   -.145E+02 -.139E+01 -.201E+02   0.686E-01 0.324E-01 -.771E-02   -.328E-04 0.192E-04 0.151E-05
   0.329E+01 -.257E+01 0.144E+02   -.329E+01 0.257E+01 -.143E+02   0.550E-02 -.466E-02 -.404E-01   -.317E-04 0.996E-05 0.636E-05
   -.126E+01 0.730E+00 0.146E+02   0.126E+01 -.729E+00 -.146E+02   0.162E-02 -.936E-03 -.316E-01   -.293E-04 0.149E-04 0.521E-05
   -.126E+01 0.123E+02 0.183E+02   0.127E+01 -.123E+02 -.183E+02   -.391E-02 0.245E-01 -.557E-01   -.211E-04 0.121E-04 -.305E-05
   0.889E+01 0.299E+02 0.400E+02   -.903E+01 -.301E+02 -.400E+02   0.139E+00 0.215E+00 -.146E-01   -.329E-04 0.246E-05 -.266E-04
   0.352E+02 0.611E+01 0.462E+02   -.358E+02 -.637E+01 -.465E+02   0.635E+00 0.262E+00 0.352E+00   -.482E-04 0.270E-04 -.989E-05
   0.182E+02 -.105E+02 0.210E+02   -.183E+02 0.106E+02 -.209E+02   0.634E-01 -.366E-01 -.128E+00   -.426E-04 0.210E-04 0.512E-05
   0.387E+01 -.156E+01 0.144E+02   -.387E+01 0.157E+01 -.143E+02   0.678E-02 -.243E-02 -.404E-01   -.275E-04 0.187E-04 0.160E-05
   -.316E+01 0.341E+01 0.164E+02   0.318E+01 -.342E+01 -.164E+02   -.248E-01 0.890E-02 -.283E-02   -.243E-04 0.163E-04 -.188E-05
   -.172E+02 0.207E+02 0.271E+02   0.174E+02 -.209E+02 -.270E+02   -.222E+00 0.145E+00 -.557E-01   -.226E-04 0.112E-04 -.330E-05
   -.265E+02 0.153E+02 0.696E+02   0.275E+02 -.159E+02 -.717E+02   -.977E+00 0.564E+00 0.210E+01   -.142E-04 0.109E-04 0.597E-05
   0.123E+02 -.335E+02 0.462E+02   -.124E+02 0.342E+02 -.465E+02   0.903E-01 -.681E+00 0.352E+00   -.452E-04 0.258E-04 -.131E-04
   0.604E+01 -.132E+02 0.201E+02   -.605E+01 0.133E+02 -.201E+02   0.624E-02 -.756E-01 -.771E-02   -.308E-04 0.180E-04 -.618E-05
   -.611E+00 -.373E+01 0.149E+02   0.617E+00 0.375E+01 -.149E+02   -.578E-02 -.197E-01 -.256E-02   -.309E-04 0.208E-04 0.291E-05
   -.916E+01 0.529E+01 0.154E+02   0.918E+01 -.530E+01 -.155E+02   -.190E-01 0.110E-01 0.133E-02   -.309E-04 0.241E-04 0.547E-05
   -.265E+02 0.450E+01 0.271E+02   0.268E+02 -.461E+01 -.270E+02   -.237E+00 0.120E+00 -.557E-01   -.155E-04 0.197E-04 0.155E-05
   -.215E+02 -.227E+02 0.400E+02   0.216E+02 0.229E+02 -.400E+02   -.117E+00 -.228E+00 -.146E-01   -.131E-04 0.268E-04 -.247E-04
   -.274E+01 -.182E+02 0.245E+02   0.275E+01 0.183E+02 -.245E+02   -.101E-01 -.112E+00 -.107E-01   -.288E-04 0.177E-04 -.675E-05
   0.197E+01 -.114E+01 0.169E+02   -.198E+01 0.114E+01 -.169E+02   0.872E-02 -.504E-02 -.694E-02   -.303E-04 0.204E-04 0.518E-05
   0.293E+01 0.240E+01 0.149E+02   -.294E+01 -.241E+01 -.149E+02   0.142E-01 0.149E-01 -.256E-02   -.309E-04 0.241E-04 0.657E-05
   -.453E+01 0.103E+01 0.164E+02   0.455E+01 -.105E+01 -.164E+02   -.201E-01 0.170E-01 -.283E-02   -.237E-04 0.169E-04 0.653E-05
   -.113E+02 -.504E+01 0.183E+02   0.113E+02 0.505E+01 -.183E+02   -.232E-01 -.886E-02 -.557E-01   -.185E-04 0.102E-04 0.245E-05
   -.579E+01 -.691E+01 0.196E+02   0.580E+01 0.695E+01 -.196E+02   -.634E-02 -.328E-01 -.208E-01   -.264E-04 0.247E-04 0.271E-05
 -----------------------------------------------------------------------------------------------
   -.182E-02 0.307E-03 0.858E+01   -.230E-12 0.142E-12 0.107E-13   0.317E-15 0.222E-15 -.859E+01   0.145E-07 -.840E-08 0.516E-05
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85292      6.06073     12.33228         0.000000      0.000000      0.011915
      2.26014      6.76606     13.65162         0.005818      0.010076      0.013138
      1.44570      5.35540     13.65162        -0.005818     -0.010076      0.013138
      0.00054     -0.00031      9.95768         0.000711     -0.000411     -0.003477
     11.11241      2.13924      9.95949         0.000730     -0.002221     -0.004140
      9.87689      4.27876      9.97099        -0.002482      0.000231     -0.001337
      8.64350      6.41811      9.96991        -0.000602      0.001190     -0.000152
     -4.93640      8.55547      9.96578         0.000242     -0.000472     -0.002272
      2.47026     -0.00113      9.96578         0.000530      0.000027     -0.002272
      1.23471      2.13599      9.97071         0.001306      0.003492     -0.002376
     -0.00402      4.27487      9.99868         0.000468     -0.003482      0.003572
     -1.23854      6.41597     10.00466         0.000101     -0.001637      0.002409
     -2.46727      8.55500      9.97820         0.002838     -0.001638     -0.000946
      4.93872      0.00123      9.96991        -0.001332     -0.000073     -0.000152
      3.70496      2.13640      9.97770        -0.001575      0.002129      0.001979
      2.47074      4.26298     10.04229         0.002630      0.000807      0.002304
      1.22830      6.42136     10.11469         0.003605     -0.002081     -0.008459
     -0.00046      8.56039     10.00466         0.001468      0.000731      0.002409
      7.40814      0.00276      9.97099        -0.001441      0.002034     -0.001337
      6.17356      2.14001      9.97107        -0.000371     -0.000968     -0.000984
      4.94044      4.27816      9.99907         0.001740     -0.001005     -0.001440
      3.71873      6.42457     10.04229         0.000616     -0.002681      0.002304
      2.47105      8.56182      9.99868         0.003249      0.001336      0.003572
      9.87878      0.00253      9.95949         0.002288      0.000479     -0.004140
      8.64287      2.14056      9.96228         0.000337     -0.000195     -0.002776
      7.40869      4.27932      9.97107         0.000653      0.000806     -0.000984
      6.17752      6.41899      9.97770        -0.002631      0.000299      0.001979
      4.94274      8.55849      9.97071        -0.002371     -0.002877     -0.002376
     -0.00042      1.42472      9.95949        -0.002288     -0.000479     -0.004140
     -1.23690      3.56298      9.97071         0.002371      0.002877     -0.002376
     -2.47167      5.70248      9.97770         0.002631     -0.000299      0.001979
     -3.70285      7.84215      9.97107        -0.000653     -0.000806     -0.000984
     -4.93703      9.98091      9.96228        -0.000337      0.000195     -0.002776
      2.47022      1.42449      9.97099         0.001441     -0.002034     -0.001337
      1.23479      3.55965      9.99868        -0.003249     -0.001336      0.003572
     -0.01289      5.69690     10.04229        -0.000616      0.002681      0.002304
     -1.23459      7.84331      9.99907        -0.001740      0.001005     -0.001440
     -2.46771      9.98146      9.97107         0.000371      0.000968     -0.000984
      4.93964      1.42602      9.96991         0.001332      0.000073     -0.000152
      3.70630      3.56107     10.00466        -0.001468     -0.000731      0.002409
      2.47754      5.70011     10.11469        -0.003605      0.002081     -0.008459
      1.23510      7.85849     10.04229        -0.002630     -0.000807      0.002304
      0.00088      9.98507      9.97770         0.001575     -0.002129      0.001979
      7.40809      1.42838      9.96578        -0.000530     -0.000027     -0.002272
      6.17311      3.56647      9.97820        -0.002838      0.001638     -0.000946
      4.94438      5.70549     10.00466        -0.000101      0.001637      0.002409
      3.70986      7.84659      9.99868        -0.000468      0.003482      0.003572
      2.47113      9.98547      9.97071        -0.001306     -0.003492     -0.002376
      9.87782      1.42756      9.95768        -0.000711      0.000411     -0.003477
      8.64225      3.56599      9.96578        -0.000242      0.000472     -0.002272
      7.41006      5.70492      9.96991         0.000602     -0.001190     -0.000152
      6.17667      7.84426      9.97099         0.002482     -0.000231     -0.001337
      4.94115      9.98378      9.95949        -0.000730      0.002221     -0.004140
 -----------------------------------------------------------------------------------
    total drift:                               -0.001815      0.000307     -0.011523


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




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


    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  150.75: CPU time   75.43
     LOOP+:  VPU time 3902.27: CPU time 1992.64


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


    POTLOK:  VPU time    7.96: CPU time    7.77
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1447.89: CPU time  738.76
 BZINTS: Fermi energy: -3.151862;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   90.52: CPU time   45.55
    MIXING:  VPU time    0.13: CPU time    0.12
    ------------------------------------------
      LOOP:  VPU time 1546.85: CPU time  792.53

 eigenvalue-minimisations  :  5888
 total energy-change (2. order) :-0.4716448E+03  (-0.4163349E-03)
 number of electron  212.0000029 magnetization    0.0000000
 augmentation part     7.9600884 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.12438E-02    rms(broyden)= 0.12426E-02
  rms(prec ) = 0.13408E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34046.28624666
  -1/2 Hartree   DENC   =    -40946.23372687
  -V(xc)+E(xc)   XCENC  =       726.60655945
  PAW double counting   =      4092.87233131    -4131.25697192
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.35907574
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64478351 eV

  energy without entropy =     -471.64478351  energy(sigma->0) =     -471.64478351


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




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


    POTLOK:  VPU time    7.75: CPU time    7.76
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1125.82: CPU time  574.32
 BZINTS: Fermi energy: -3.152763;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1133.92: CPU time  582.39

 eigenvalue-minimisations  :  4096
 total energy-change (2. order) :-0.2687904E-05  (-0.7792921E-05)
 number of electron  212.0000029 magnetization    0.0000000
 augmentation part     7.9600884 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34046.28624666
  -1/2 Hartree   DENC   =    -40946.26955281
  -V(xc)+E(xc)   XCENC  =       726.60828190
  PAW double counting   =      4092.88167047    -4131.26578108
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.32550493
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64478620 eV

  energy without entropy =     -471.64478620  energy(sigma->0) =     -471.64478620


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




 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 -58.5413       2 -39.9828       3 -39.9828       4 -58.2447       5 -58.2488
       6 -58.2563       7 -58.2470       8 -58.2456       9 -58.2456      10 -58.2609
      11 -58.3162      12 -58.2932      13 -58.2504      14 -58.2470      15 -58.2582
      16 -58.4384      17 -58.7331      18 -58.2932      19 -58.2563      20 -58.2508
      21 -58.2780      22 -58.4384      23 -58.3162      24 -58.2489      25 -58.2442
      26 -58.2508      27 -58.2582      28 -58.2609      29 -58.2487      30 -58.2608
      31 -58.2580      32 -58.2507      33 -58.2441      34 -58.2562      35 -58.3161
      36 -58.4383      37 -58.2779      38 -58.2507      39 -58.2469      40 -58.2930
      41 -58.7330      42 -58.4383      43 -58.2581      44 -58.2455      45 -58.2503
      46 -58.2931      47 -58.3161      48 -58.2608      49 -58.2446      50 -58.2455
      51 -58.2469      52 -58.2562      53 -58.2488
 
 
 
 E-fermi :  -3.1528     XC(G=0):  -2.3411     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     -22.3568      1.00000
      2     -21.5373      1.00000
      3     -21.4073      1.00000
      4     -21.4063      1.00000
      5     -21.3751      1.00000
      6     -21.3660      1.00000
      7     -21.3586      1.00000
      8     -19.6470      1.00000
      9     -19.5722      1.00000
     10     -19.5652      1.00000
     11     -19.5586      1.00000
     12     -19.5408      1.00000
     13     -19.5379      1.00000
     14     -18.7288      1.00000
     15     -18.6798      1.00000
     16     -18.6724      1.00000
     17     -18.6586      1.00000
     18     -18.6433      1.00000
     19     -18.6420      1.00000
     20     -16.5865      1.00000
     21     -16.5263      1.00000
     22     -16.5240      1.00000
     23     -16.5118      1.00000
     24     -16.4872      1.00000
     25     -16.4856      1.00000
     26     -15.5601      1.00000
     27     -15.5267      1.00000
     28     -15.5259      1.00000
     29     -15.4993      1.00000
     30     -15.4950      1.00000
     31     -15.4886      1.00000
     32     -14.2071      1.00000
     33     -14.1802      1.00000
     34     -14.1678      1.00000
     35     -14.1652      1.00000
     36     -14.1600      1.00000
     37     -14.1492      1.00000
     38     -11.8853      1.00000
     39     -11.8091      1.00000
     40     -11.7924      1.00000
     41     -11.7918      1.00000
     42     -11.7888      1.00000
     43     -11.7825      1.00000
     44     -11.7049      1.00000
     45     -11.6987      1.00000
     46     -11.6730      1.00000
     47     -11.6580      1.00000
     48     -11.6579      1.00000
     49     -11.6511      1.00000
     50     -10.6750      1.00000
     51     -10.3296      1.00000
     52     -10.3212      1.00000
     53     -10.3057      1.00000
     54     -10.3050      1.00000
     55     -10.2912      1.00000
     56     -10.2780      1.00000
     57      -9.9287      1.00000
     58      -9.3731      1.00000
     59      -9.3595      1.00000
     60      -9.3003      1.00000
     61      -9.2920      1.00000
     62      -9.2852      1.00000
     63      -9.0937      1.00000
     64      -9.0541      1.00000
     65      -9.0500      1.00000
     66      -9.0262      1.00000
     67      -9.0079      1.00000
     68      -9.0023      1.00000
     69      -9.0014      1.00000
     70      -8.9949      1.00000
     71      -8.9926      1.00000
     72      -8.9716      1.00000
     73      -8.9644      1.00000
     74      -8.9550      1.00000
     75      -8.4997      1.00000
     76      -7.5151      1.00000
     77      -7.4117      1.00000
     78      -7.4100      1.00000
     79      -7.4009      1.00000
     80      -7.3836      1.00000
     81      -7.3649      1.00000
     82      -7.3408      1.00000
     83      -7.3095      1.00000
     84      -7.2695      1.00000
     85      -7.2065      1.00000
     86      -7.1804      1.00000
     87      -7.1802      1.00000
     88      -7.0750      1.00000
     89      -6.5094      1.00000
     90      -6.4618      1.00000
     91      -6.3555      1.00000
     92      -6.2934      1.00000
     93      -6.2880      1.00000
     94      -6.2864      1.00000
     95      -5.8983      1.00000
     96      -5.8843      1.00000
     97      -5.0496      1.00000
     98      -4.9380      1.00000
     99      -4.5399      1.00000
    100      -4.3414      1.00000
    101      -4.3182      1.00000
    102      -4.3175      1.00000
    103      -4.1154      1.00000
    104      -3.9131      1.00000
    105      -3.9009      1.00000
    106      -3.8351      1.00000
    107      -1.6821      0.00000
    108      -1.6690      0.00000
    109      -1.5360      0.00000
    110      -1.5354      0.00000
    111      -1.5224      0.00000
    112      -1.5087      0.00000
    113      -0.5853      0.00000
    114       0.1333      0.00000
    115       0.2066      0.00000
    116       0.3244      0.00000
    117       0.3265      0.00000
    118       0.3337      0.00000
    119       0.4962      0.00000
    120       0.5977      0.00000
    121       1.2593      0.00000
    122       1.2757      0.00000
    123       1.5307      0.00000
    124       1.7920      0.00000
    125       1.8053      0.00000
    126       1.8084      0.00000
    127       1.8136      0.00000
    128       1.9459      0.00000
    129       1.9818      0.00000
    130       2.0318      0.00000
    131       2.0457      0.00000
    132       2.0510      0.00000
    133       2.0551      0.00000
    134       2.0612      0.00000
    135       2.3097      0.00000
    136       2.3236      0.00000
    137       2.6176      0.00000
    138       2.6246      0.00000
    139       2.6549      0.00000
    140       2.7323      0.00000
    141       2.8641      0.00000
    142       3.0220      0.00000
    143       3.0475      0.00000
    144       3.0876      0.00000
    145       3.0957      0.00000
    146       3.0994      0.00000
    147       3.1015      0.00000
    148       3.2385      0.00000
    149       3.4494      0.00000
    150       3.5410      0.00000
    151       3.7860      0.00000
    152       3.9455      0.00000
    153       3.9558      0.00000
    154       3.9624      0.00000
    155       3.9704      0.00000
    156       3.9983      0.00000
    157       4.1826      0.00000
    158       4.2686      0.00000
    159       4.2888      0.00000
    160       4.2891      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3202      1.00000
      2     -21.7617      1.00000
      3     -21.5709      1.00000
      4     -21.5381      1.00000
      5     -21.2081      1.00000
      6     -21.1631      1.00000
      7     -20.9874      1.00000
      8     -20.1021      1.00000
      9     -20.0578      1.00000
     10     -19.5467      1.00000
     11     -19.5219      1.00000
     12     -19.3494      1.00000
     13     -19.0252      1.00000
     14     -18.9899      1.00000
     15     -18.9815      1.00000
     16     -18.9694      1.00000
     17     -18.2976      1.00000
     18     -18.2783      1.00000
     19     -17.9523      1.00000
     20     -17.0100      1.00000
     21     -16.9599      1.00000
     22     -16.8789      1.00000
     23     -16.8689      1.00000
     24     -16.4052      1.00000
     25     -16.3902      1.00000
     26     -15.5528      1.00000
     27     -15.5359      1.00000
     28     -15.1982      1.00000
     29     -15.1693      1.00000
     30     -15.1148      1.00000
     31     -15.0280      1.00000
     32     -15.0027      1.00000
     33     -14.6366      1.00000
     34     -14.6247      1.00000
     35     -13.6678      1.00000
     36     -13.6523      1.00000
     37     -13.1698      1.00000
     38     -12.5516      1.00000
     39     -12.5175      1.00000
     40     -12.3913      1.00000
     41     -12.3781      1.00000
     42     -12.0579      1.00000
     43     -12.0349      1.00000
     44     -11.6599      1.00000
     45     -11.6176      1.00000
     46     -11.1814      1.00000
     47     -11.1567      1.00000
     48     -10.9656      1.00000
     49     -10.9409      1.00000
     50     -10.8744      1.00000
     51     -10.8375      1.00000
     52     -10.6035      1.00000
     53     -10.0940      1.00000
     54     -10.0887      1.00000
     55     -10.0469      1.00000
     56      -9.9708      1.00000
     57      -9.6550      1.00000
     58      -9.6292      1.00000
     59      -9.5924      1.00000
     60      -9.5296      1.00000
     61      -9.5115      1.00000
     62      -9.4792      1.00000
     63      -9.2648      1.00000
     64      -9.2413      1.00000
     65      -9.2212      1.00000
     66      -9.1667      1.00000
     67      -9.0686      1.00000
     68      -9.0469      1.00000
     69      -9.0412      1.00000
     70      -8.8829      1.00000
     71      -8.8068      1.00000
     72      -8.5785      1.00000
     73      -8.5230      1.00000
     74      -8.4610      1.00000
     75      -8.0352      1.00000
     76      -7.8119      1.00000
     77      -7.8073      1.00000
     78      -7.7932      1.00000
     79      -7.7007      1.00000
     80      -7.6907      1.00000
     81      -7.3640      1.00000
     82      -7.2736      1.00000
     83      -7.2651      1.00000
     84      -7.2159      1.00000
     85      -7.1730      1.00000
     86      -7.0089      1.00000
     87      -6.9480      1.00000
     88      -6.7475      1.00000
     89      -6.6726      1.00000
     90      -6.5941      1.00000
     91      -6.5594      1.00000
     92      -6.0507      1.00000
     93      -6.0476      1.00000
     94      -6.0222      1.00000
     95      -5.9592      1.00000
     96      -5.7368      1.00000
     97      -5.1573      1.00000
     98      -4.9906      1.00000
     99      -4.7191      1.00000
    100      -4.6113      1.00000
    101      -4.4405      1.00000
    102      -4.3743      1.00000
    103      -4.1227      1.00000
    104      -3.8685      1.00000
    105      -3.8349      1.00000
    106      -3.7904      1.00000
    107      -1.7858      0.00000
    108      -1.7388      0.00000
    109      -1.3947      0.00000
    110      -1.3466      0.00000
    111      -1.2640      0.00000
    112      -1.2255      0.00000
    113      -0.7451      0.00000
    114      -0.3789      0.00000
    115      -0.2208      0.00000
    116      -0.0182      0.00000
    117       0.5915      0.00000
    118       0.7370      0.00000
    119       0.7641      0.00000
    120       1.0496      0.00000
    121       1.1417      0.00000
    122       1.2507      0.00000
    123       1.2730      0.00000
    124       1.4155      0.00000
    125       1.4812      0.00000
    126       1.5892      0.00000
    127       1.7568      0.00000
    128       1.8409      0.00000
    129       1.8962      0.00000
    130       1.9595      0.00000
    131       2.1069      0.00000
    132       2.2391      0.00000
    133       2.2508      0.00000
    134       2.2997      0.00000
    135       2.4907      0.00000
    136       2.6181      0.00000
    137       2.6374      0.00000
    138       2.7703      0.00000
    139       2.8041      0.00000
    140       2.8546      0.00000
    141       2.8669      0.00000
    142       2.8923      0.00000
    143       2.9561      0.00000
    144       3.0881      0.00000
    145       3.2839      0.00000
    146       3.3096      0.00000
    147       3.3733      0.00000
    148       3.4049      0.00000
    149       3.4701      0.00000
    150       3.5925      0.00000
    151       3.6374      0.00000
    152       3.6727      0.00000
    153       3.7108      0.00000
    154       3.9108      0.00000
    155       3.9432      0.00000
    156       3.9843      0.00000
    157       4.0866      0.00000
    158       4.2073      0.00000
    159       4.2491      0.00000
    160       4.2996      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2146      1.00000
      2     -22.0082      1.00000
      3     -21.6496      1.00000
      4     -21.6125      1.00000
      5     -20.9134      1.00000
      6     -20.8669      1.00000
      7     -20.5461      1.00000
      8     -20.5066      1.00000
      9     -20.4962      1.00000
     10     -19.9639      1.00000
     11     -19.4429      1.00000
     12     -19.4156      1.00000
     13     -19.2419      1.00000
     14     -19.2275      1.00000
     15     -18.3845      1.00000
     16     -18.3402      1.00000
     17     -17.8604      1.00000
     18     -17.8393      1.00000
     19     -17.6982      1.00000
     20     -17.6556      1.00000
     21     -17.3724      1.00000
     22     -17.3563      1.00000
     23     -17.2747      1.00000
     24     -16.4016      1.00000
     25     -16.3867      1.00000
     26     -15.8966      1.00000
     27     -15.3534      1.00000
     28     -15.3374      1.00000
     29     -15.0354      1.00000
     30     -15.0211      1.00000
     31     -14.8000      1.00000
     32     -14.7753      1.00000
     33     -14.2223      1.00000
     34     -14.1898      1.00000
     35     -13.3715      1.00000
     36     -13.3371      1.00000
     37     -13.1205      1.00000
     38     -13.1028      1.00000
     39     -12.9166      1.00000
     40     -12.9030      1.00000
     41     -12.5573      1.00000
     42     -12.5392      1.00000
     43     -12.1334      1.00000
     44     -11.5228      1.00000
     45     -11.4745      1.00000
     46     -11.2544      1.00000
     47     -11.2203      1.00000
     48     -11.0797      1.00000
     49     -10.6604      1.00000
     50     -10.5890      1.00000
     51     -10.5244      1.00000
     52     -10.2578      1.00000
     53     -10.2496      1.00000
     54     -10.1233      1.00000
     55     -10.0487      1.00000
     56     -10.0418      1.00000
     57      -9.7704      1.00000
     58      -9.7052      1.00000
     59      -9.6805      1.00000
     60      -9.6310      1.00000
     61      -9.6263      1.00000
     62      -9.5880      1.00000
     63      -9.2950      1.00000
     64      -9.2855      1.00000
     65      -9.2539      1.00000
     66      -9.0891      1.00000
     67      -8.8971      1.00000
     68      -8.8841      1.00000
     69      -8.7250      1.00000
     70      -8.5898      1.00000
     71      -8.5148      1.00000
     72      -8.3311      1.00000
     73      -8.3030      1.00000
     74      -8.2651      1.00000
     75      -8.2335      1.00000
     76      -8.1950      1.00000
     77      -8.1867      1.00000
     78      -8.1712      1.00000
     79      -8.1020      1.00000
     80      -7.6888      1.00000
     81      -7.3569      1.00000
     82      -7.3108      1.00000
     83      -7.2642      1.00000
     84      -7.1876      1.00000
     85      -7.1254      1.00000
     86      -7.0772      1.00000
     87      -6.9073      1.00000
     88      -6.8826      1.00000
     89      -6.5502      1.00000
     90      -6.4926      1.00000
     91      -6.2105      1.00000
     92      -6.0705      1.00000
     93      -5.9427      1.00000
     94      -5.7158      1.00000
     95      -5.6334      1.00000
     96      -5.4528      1.00000
     97      -5.3055      1.00000
     98      -5.2344      1.00000
     99      -5.1524      1.00000
    100      -5.1517      1.00000
    101      -4.5234      1.00000
    102      -4.4711      1.00000
    103      -4.1441      1.00000
    104      -3.8380      1.00000
    105      -3.7574      1.00000
    106      -3.6795      1.00000
    107      -1.8714      0.00000
    108      -1.8243      0.00000
    109      -1.2773      0.00000
    110      -1.0368      0.00000
    111      -1.0114      0.00000
    112      -0.7124      0.00000
    113      -0.6402      0.00000
    114      -0.5882      0.00000
    115      -0.5458      0.00000
    116      -0.2022      0.00000
    117       0.2523      0.00000
    118       0.2789      0.00000
    119       0.7620      0.00000
    120       0.9464      0.00000
    121       1.1327      0.00000
    122       1.2272      0.00000
    123       1.3210      0.00000
    124       1.4132      0.00000
    125       1.6030      0.00000
    126       1.6338      0.00000
    127       1.7044      0.00000
    128       1.8231      0.00000
    129       1.9229      0.00000
    130       2.0162      0.00000
    131       2.1076      0.00000
    132       2.3265      0.00000
    133       2.3969      0.00000
    134       2.4352      0.00000
    135       2.5445      0.00000
    136       2.6359      0.00000
    137       2.7529      0.00000
    138       2.8211      0.00000
    139       2.8349      0.00000
    140       2.8893      0.00000
    141       3.0471      0.00000
    142       3.0927      0.00000
    143       3.1902      0.00000
    144       3.2425      0.00000
    145       3.3904      0.00000
    146       3.4245      0.00000
    147       3.4863      0.00000
    148       3.5790      0.00000
    149       3.6047      0.00000
    150       3.6284      0.00000
    151       3.6524      0.00000
    152       3.7436      0.00000
    153       3.7726      0.00000
    154       3.7906      0.00000
    155       3.8066      0.00000
    156       3.8981      0.00000
    157       3.9810      0.00000
    158       4.0109      0.00000
    159       4.1800      0.00000
    160       4.2394      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2484      1.00000
      2     -21.8940      1.00000
      3     -21.8233      1.00000
      4     -21.3121      1.00000
      5     -21.2816      1.00000
      6     -20.7708      1.00000
      7     -20.7048      1.00000
      8     -20.5564      1.00000
      9     -20.0094      1.00000
     10     -20.0014      1.00000
     11     -19.6482      1.00000
     12     -19.6237      1.00000
     13     -18.9300      1.00000
     14     -18.9210      1.00000
     15     -18.5706      1.00000
     16     -18.5572      1.00000
     17     -18.3940      1.00000
     18     -17.6154      1.00000
     19     -17.5588      1.00000
     20     -17.5536      1.00000
     21     -17.5122      1.00000
     22     -17.0558      1.00000
     23     -17.0386      1.00000
     24     -16.8914      1.00000
     25     -15.9295      1.00000
     26     -15.8683      1.00000
     27     -15.5161      1.00000
     28     -15.5158      1.00000
     29     -15.2292      1.00000
     30     -14.7943      1.00000
     31     -14.7675      1.00000
     32     -14.5153      1.00000
     33     -14.4713      1.00000
     34     -14.1025      1.00000
     35     -14.0911      1.00000
     36     -13.0761      1.00000
     37     -13.0327      1.00000
     38     -12.9672      1.00000
     39     -12.9547      1.00000
     40     -12.6456      1.00000
     41     -12.6384      1.00000
     42     -12.2745      1.00000
     43     -12.2430      1.00000
     44     -11.5884      1.00000
     45     -11.5612      1.00000
     46     -11.5073      1.00000
     47     -10.9055      1.00000
     48     -10.8513      1.00000
     49     -10.6222      1.00000
     50     -10.5587      1.00000
     51     -10.4855      1.00000
     52     -10.4340      1.00000
     53     -10.4242      1.00000
     54     -10.3705      1.00000
     55     -10.2935      1.00000
     56     -10.0656      1.00000
     57      -9.8334      1.00000
     58      -9.5477      1.00000
     59      -9.4883      1.00000
     60      -9.4720      1.00000
     61      -9.3466      1.00000
     62      -9.3308      1.00000
     63      -9.3101      1.00000
     64      -9.3084      1.00000
     65      -9.2145      1.00000
     66      -9.1130      1.00000
     67      -9.0812      1.00000
     68      -9.0507      1.00000
     69      -8.8486      1.00000
     70      -8.7931      1.00000
     71      -8.7747      1.00000
     72      -8.5272      1.00000
     73      -8.4759      1.00000
     74      -8.2227      1.00000
     75      -8.1110      1.00000
     76      -8.0996      1.00000
     77      -7.8076      1.00000
     78      -7.7834      1.00000
     79      -7.7820      1.00000
     80      -7.6738      1.00000
     81      -7.6312      1.00000
     82      -7.6308      1.00000
     83      -7.4009      1.00000
     84      -7.3249      1.00000
     85      -7.2001      1.00000
     86      -6.8404      1.00000
     87      -6.8292      1.00000
     88      -6.6626      1.00000
     89      -6.5389      1.00000
     90      -6.3441      1.00000
     91      -6.3074      1.00000
     92      -6.1845      1.00000
     93      -6.1486      1.00000
     94      -5.9779      1.00000
     95      -5.5729      1.00000
     96      -5.4264      1.00000
     97      -5.2589      1.00000
     98      -5.2514      1.00000
     99      -5.1493      1.00000
    100      -4.6958      1.00000
    101      -4.6656      1.00000
    102      -4.3493      1.00000
    103      -4.3164      1.00000
    104      -3.9651      1.00000
    105      -3.8315      1.00000
    106      -3.3891      1.00000
    107      -2.2209      0.00000
    108      -1.3777      0.00000
    109      -1.2871      0.00000
    110      -1.1731      0.00000
    111      -1.0776      0.00000
    112      -0.8932      0.00000
    113      -0.7677      0.00000
    114      -0.7572      0.00000
    115      -0.2179      0.00000
    116       0.1128      0.00000
    117       0.2634      0.00000
    118       0.3461      0.00000
    119       0.7359      0.00000
    120       0.9041      0.00000
    121       0.9719      0.00000
    122       1.0953      0.00000
    123       1.2099      0.00000
    124       1.5308      0.00000
    125       1.5668      0.00000
    126       1.7170      0.00000
    127       1.8389      0.00000
    128       1.8625      0.00000
    129       1.9692      0.00000
    130       2.0031      0.00000
    131       2.1601      0.00000
    132       2.2724      0.00000
    133       2.4585      0.00000
    134       2.4676      0.00000
    135       2.5027      0.00000
    136       2.6662      0.00000
    137       2.6866      0.00000
    138       2.7347      0.00000
    139       2.7479      0.00000
    140       2.8962      0.00000
    141       3.0255      0.00000
    142       3.0878      0.00000
    143       3.1927      0.00000
    144       3.2520      0.00000
    145       3.2608      0.00000
    146       3.2725      0.00000
    147       3.3665      0.00000
    148       3.4852      0.00000
    149       3.5323      0.00000
    150       3.6995      0.00000
    151       3.7589      0.00000
    152       3.7709      0.00000
    153       3.8373      0.00000
    154       3.8843      0.00000
    155       3.9472      0.00000
    156       3.9868      0.00000
    157       4.0241      0.00000
    158       4.0512      0.00000
    159       4.0561      0.00000
    160       4.0877      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1425      1.00000
      2     -22.0471      1.00000
      3     -21.8869      1.00000
      4     -21.3350      1.00000
      5     -20.9821      1.00000
      6     -20.9435      1.00000
      7     -20.4338      1.00000
      8     -20.3910      1.00000
      9     -20.2269      1.00000
     10     -20.2054      1.00000
     11     -19.8895      1.00000
     12     -19.8218      1.00000
     13     -18.8153      1.00000
     14     -18.7440      1.00000
     15     -18.2906      1.00000
     16     -18.2365      1.00000
     17     -18.0860      1.00000
     18     -18.0661      1.00000
     19     -17.7622      1.00000
     20     -17.7192      1.00000
     21     -17.1892      1.00000
     22     -17.1701      1.00000
     23     -17.1000      1.00000
     24     -17.0641      1.00000
     25     -16.0380      1.00000
     26     -15.8239      1.00000
     27     -15.8001      1.00000
     28     -15.7646      1.00000
     29     -15.1742      1.00000
     30     -14.4918      1.00000
     31     -14.4588      1.00000
     32     -14.2183      1.00000
     33     -13.8953      1.00000
     34     -13.8905      1.00000
     35     -13.7562      1.00000
     36     -13.7360      1.00000
     37     -13.5524      1.00000
     38     -13.5032      1.00000
     39     -13.3003      1.00000
     40     -12.5645      1.00000
     41     -12.1261      1.00000
     42     -12.0662      1.00000
     43     -12.0108      1.00000
     44     -11.9519      1.00000
     45     -11.6111      1.00000
     46     -11.5882      1.00000
     47     -11.0858      1.00000
     48     -11.0523      1.00000
     49     -10.7542      1.00000
     50     -10.6644      1.00000
     51     -10.5276      1.00000
     52     -10.1486      1.00000
     53     -10.1390      1.00000
     54     -10.0962      1.00000
     55      -9.9533      1.00000
     56      -9.9479      1.00000
     57      -9.9176      1.00000
     58      -9.7384      1.00000
     59      -9.7311      1.00000
     60      -9.7017      1.00000
     61      -9.6906      1.00000
     62      -9.4299      1.00000
     63      -9.3637      1.00000
     64      -9.0870      1.00000
     65      -9.0065      1.00000
     66      -8.9752      1.00000
     67      -8.8886      1.00000
     68      -8.8116      1.00000
     69      -8.6588      1.00000
     70      -8.6350      1.00000
     71      -8.5791      1.00000
     72      -8.4789      1.00000
     73      -8.4683      1.00000
     74      -8.3986      1.00000
     75      -8.3946      1.00000
     76      -8.1841      1.00000
     77      -8.1145      1.00000
     78      -7.9774      1.00000
     79      -7.9156      1.00000
     80      -7.8470      1.00000
     81      -7.6182      1.00000
     82      -7.5303      1.00000
     83      -7.4698      1.00000
     84      -7.2567      1.00000
     85      -6.9346      1.00000
     86      -6.8580      1.00000
     87      -6.8111      1.00000
     88      -6.5753      1.00000
     89      -6.4680      1.00000
     90      -6.4207      1.00000
     91      -6.3569      1.00000
     92      -6.0531      1.00000
     93      -5.8781      1.00000
     94      -5.7532      1.00000
     95      -5.7220      1.00000
     96      -5.4777      1.00000
     97      -5.3466      1.00000
     98      -5.1804      1.00000
     99      -5.1564      1.00000
    100      -5.1548      1.00000
    101      -4.7080      1.00000
    102      -4.4413      1.00000
    103      -4.2562      1.00000
    104      -3.9968      1.00000
    105      -3.8303      1.00000
    106      -3.1559      1.00000
    107      -2.4633      0.00000
    108      -1.3791      0.00000
    109      -1.2419      0.00000
    110      -1.1458      0.00000
    111      -1.1147      0.00000
    112      -0.5636      0.00000
    113      -0.4347      0.00000
    114      -0.4296      0.00000
    115      -0.3107      0.00000
    116      -0.1897      0.00000
    117       0.0618      0.00000
    118       0.1173      0.00000
    119       0.5399      0.00000
    120       0.6841      0.00000
    121       0.8726      0.00000
    122       0.9698      0.00000
    123       1.1127      0.00000
    124       1.4968      0.00000
    125       1.6634      0.00000
    126       1.8088      0.00000
    127       1.8788      0.00000
    128       2.0967      0.00000
    129       2.1400      0.00000
    130       2.1955      0.00000
    131       2.2145      0.00000
    132       2.3402      0.00000
    133       2.3613      0.00000
    134       2.4875      0.00000
    135       2.5780      0.00000
    136       2.6717      0.00000
    137       2.8810      0.00000
    138       2.9380      0.00000
    139       2.9678      0.00000
    140       3.0011      0.00000
    141       3.0447      0.00000
    142       3.1531      0.00000
    143       3.1787      0.00000
    144       3.2504      0.00000
    145       3.2926      0.00000
    146       3.3342      0.00000
    147       3.3500      0.00000
    148       3.3813      0.00000
    149       3.4161      0.00000
    150       3.4987      0.00000
    151       3.5553      0.00000
    152       3.6357      0.00000
    153       3.6933      0.00000
    154       3.7116      0.00000
    155       3.7251      0.00000
    156       3.9225      0.00000
    157       3.9404      0.00000
    158       4.0615      0.00000
    159       4.0936      0.00000
    160       4.2070      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2482      1.00000
      2     -21.8955      1.00000
      3     -21.8218      1.00000
      4     -21.3166      1.00000
      5     -21.2777      1.00000
      6     -20.7719      1.00000
      7     -20.7028      1.00000
      8     -20.5549      1.00000
      9     -20.0232      1.00000
     10     -19.9907      1.00000
     11     -19.6507      1.00000
     12     -19.6195      1.00000
     13     -18.9438      1.00000
     14     -18.9089      1.00000
     15     -18.5844      1.00000
     16     -18.5467      1.00000
     17     -18.3924      1.00000
     18     -17.6022      1.00000
     19     -17.5709      1.00000
     20     -17.5415      1.00000
     21     -17.5087      1.00000
     22     -17.0750      1.00000
     23     -17.0275      1.00000
     24     -16.9004      1.00000
     25     -15.9459      1.00000
     26     -15.8512      1.00000
     27     -15.5338      1.00000
     28     -15.5069      1.00000
     29     -15.2092      1.00000
     30     -14.8146      1.00000
     31     -14.7615      1.00000
     32     -14.5099      1.00000
     33     -14.4680      1.00000
     34     -14.0963      1.00000
     35     -14.0932      1.00000
     36     -13.1056      1.00000
     37     -13.0301      1.00000
     38     -12.9570      1.00000
     39     -12.9496      1.00000
     40     -12.6563      1.00000
     41     -12.6277      1.00000
     42     -12.2745      1.00000
     43     -12.2473      1.00000
     44     -11.5732      1.00000
     45     -11.5535      1.00000
     46     -11.5006      1.00000
     47     -10.8787      1.00000
     48     -10.8688      1.00000
     49     -10.6835      1.00000
     50     -10.5256      1.00000
     51     -10.5208      1.00000
     52     -10.4335      1.00000
     53     -10.4164      1.00000
     54     -10.3707      1.00000
     55     -10.2885      1.00000
     56     -10.0613      1.00000
     57      -9.8321      1.00000
     58      -9.5598      1.00000
     59      -9.4850      1.00000
     60      -9.4452      1.00000
     61      -9.3554      1.00000
     62      -9.3397      1.00000
     63      -9.3082      1.00000
     64      -9.3032      1.00000
     65      -9.2062      1.00000
     66      -9.0995      1.00000
     67      -9.0683      1.00000
     68      -9.0491      1.00000
     69      -8.8517      1.00000
     70      -8.7966      1.00000
     71      -8.7786      1.00000
     72      -8.5271      1.00000
     73      -8.4975      1.00000
     74      -8.2277      1.00000
     75      -8.1292      1.00000
     76      -8.0935      1.00000
     77      -7.8075      1.00000
     78      -7.7679      1.00000
     79      -7.7398      1.00000
     80      -7.7033      1.00000
     81      -7.6363      1.00000
     82      -7.6246      1.00000
     83      -7.3881      1.00000
     84      -7.3445      1.00000
     85      -7.2196      1.00000
     86      -6.8440      1.00000
     87      -6.8206      1.00000
     88      -6.6405      1.00000
     89      -6.5297      1.00000
     90      -6.3420      1.00000
     91      -6.2733      1.00000
     92      -6.1956      1.00000
     93      -6.1317      1.00000
     94      -6.0216      1.00000
     95      -5.6379      1.00000
     96      -5.5090      1.00000
     97      -5.2978      1.00000
     98      -5.1562      1.00000
     99      -5.0408      1.00000
    100      -4.7269      1.00000
    101      -4.6860      1.00000
    102      -4.3683      1.00000
    103      -4.1857      1.00000
    104      -4.0099      1.00000
    105      -3.8298      1.00000
    106      -3.4842      1.00000
    107      -2.1642      0.00000
    108      -1.3835      0.00000
    109      -1.2362      0.00000
    110      -1.1844      0.00000
    111      -1.0140      0.00000
    112      -0.9564      0.00000
    113      -0.7977      0.00000
    114      -0.7522      0.00000
    115      -0.3653      0.00000
    116       0.2451      0.00000
    117       0.2767      0.00000
    118       0.3646      0.00000
    119       0.7019      0.00000
    120       0.8689      0.00000
    121       0.9659      0.00000
    122       1.1277      0.00000
    123       1.2375      0.00000
    124       1.4566      0.00000
    125       1.5596      0.00000
    126       1.7834      0.00000
    127       1.8510      0.00000
    128       1.8828      0.00000
    129       1.9898      0.00000
    130       2.0333      0.00000
    131       2.1976      0.00000
    132       2.2151      0.00000
    133       2.4057      0.00000
    134       2.4540      0.00000
    135       2.5478      0.00000
    136       2.6587      0.00000
    137       2.6850      0.00000
    138       2.7310      0.00000
    139       2.7727      0.00000
    140       2.8576      0.00000
    141       2.9690      0.00000
    142       3.0865      0.00000
    143       3.1882      0.00000
    144       3.2422      0.00000
    145       3.2578      0.00000
    146       3.2980      0.00000
    147       3.3400      0.00000
    148       3.4846      0.00000
    149       3.5138      0.00000
    150       3.7152      0.00000
    151       3.7257      0.00000
    152       3.7708      0.00000
    153       3.8640      0.00000
    154       3.8755      0.00000
    155       3.9026      0.00000
    156       3.9998      0.00000
    157       4.0017      0.00000
    158       4.0557      0.00000
    159       4.0640      0.00000
    160       4.0908      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3201      1.00000
      2     -21.7620      1.00000
      3     -21.5682      1.00000
      4     -21.5409      1.00000
      5     -21.2055      1.00000
      6     -21.1664      1.00000
      7     -20.9861      1.00000
      8     -20.0992      1.00000
      9     -20.0601      1.00000
     10     -19.5469      1.00000
     11     -19.5263      1.00000
     12     -19.3452      1.00000
     13     -19.0288      1.00000
     14     -18.9886      1.00000
     15     -18.9777      1.00000
     16     -18.9719      1.00000
     17     -18.2964      1.00000
     18     -18.2826      1.00000
     19     -17.9466      1.00000
     20     -17.0009      1.00000
     21     -16.9599      1.00000
     22     -16.8830      1.00000
     23     -16.8700      1.00000
     24     -16.4163      1.00000
     25     -16.3938      1.00000
     26     -15.5410      1.00000
     27     -15.5377      1.00000
     28     -15.1727      1.00000
     29     -15.1715      1.00000
     30     -15.1320      1.00000
     31     -15.0373      1.00000
     32     -15.0013      1.00000
     33     -14.6335      1.00000
     34     -14.6267      1.00000
     35     -13.6629      1.00000
     36     -13.6532      1.00000
     37     -13.1718      1.00000
     38     -12.5743      1.00000
     39     -12.5135      1.00000
     40     -12.3862      1.00000
     41     -12.3858      1.00000
     42     -12.0351      1.00000
     43     -12.0313      1.00000
     44     -11.6549      1.00000
     45     -11.6146      1.00000
     46     -11.2075      1.00000
     47     -11.1572      1.00000
     48     -10.9560      1.00000
     49     -10.9428      1.00000
     50     -10.8605      1.00000
     51     -10.8281      1.00000
     52     -10.6262      1.00000
     53     -10.1476      1.00000
     54     -10.0852      1.00000
     55     -10.0261      1.00000
     56      -9.9468      1.00000
     57      -9.6314      1.00000
     58      -9.6296      1.00000
     59      -9.6035      1.00000
     60      -9.5408      1.00000
     61      -9.5036      1.00000
     62      -9.4788      1.00000
     63      -9.2734      1.00000
     64      -9.2360      1.00000
     65      -9.2077      1.00000
     66      -9.1794      1.00000
     67      -9.0625      1.00000
     68      -9.0475      1.00000
     69      -9.0440      1.00000
     70      -8.8771      1.00000
     71      -8.8086      1.00000
     72      -8.5366      1.00000
     73      -8.5325      1.00000
     74      -8.5016      1.00000
     75      -8.0322      1.00000
     76      -7.8321      1.00000
     77      -7.8006      1.00000
     78      -7.7739      1.00000
     79      -7.7042      1.00000
     80      -7.6848      1.00000
     81      -7.4138      1.00000
     82      -7.2887      1.00000
     83      -7.2516      1.00000
     84      -7.2040      1.00000
     85      -7.0824      1.00000
     86      -7.0752      1.00000
     87      -6.9377      1.00000
     88      -6.7120      1.00000
     89      -6.6747      1.00000
     90      -6.6294      1.00000
     91      -6.5572      1.00000
     92      -6.0726      1.00000
     93      -6.0323      1.00000
     94      -6.0013      1.00000
     95      -5.9370      1.00000
     96      -5.8008      1.00000
     97      -5.1824      1.00000
     98      -4.8958      1.00000
     99      -4.7943      1.00000
    100      -4.6111      1.00000
    101      -4.5128      1.00000
    102      -4.1412      1.00000
    103      -4.0916      1.00000
    104      -3.9309      1.00000
    105      -3.9169      1.00000
    106      -3.8289      1.00000
    107      -1.7517      0.00000
    108      -1.6957      0.00000
    109      -1.4101      0.00000
    110      -1.3719      0.00000
    111      -1.2643      0.00000
    112      -1.2361      0.00000
    113      -0.6237      0.00000
    114      -0.5990      0.00000
    115      -0.1899      0.00000
    116       0.0426      0.00000
    117       0.5854      0.00000
    118       0.7412      0.00000
    119       0.8499      0.00000
    120       0.9284      0.00000
    121       1.1674      0.00000
    122       1.2118      0.00000
    123       1.2470      0.00000
    124       1.4221      0.00000
    125       1.5996      0.00000
    126       1.6419      0.00000
    127       1.7065      0.00000
    128       1.8043      0.00000
    129       1.9227      0.00000
    130       1.9401      0.00000
    131       2.1510      0.00000
    132       2.1751      0.00000
    133       2.2626      0.00000
    134       2.3049      0.00000
    135       2.5452      0.00000
    136       2.5635      0.00000
    137       2.6353      0.00000
    138       2.7626      0.00000
    139       2.8142      0.00000
    140       2.8433      0.00000
    141       2.8938      0.00000
    142       2.9409      0.00000
    143       3.0176      0.00000
    144       3.0315      0.00000
    145       3.0937      0.00000
    146       3.3159      0.00000
    147       3.3676      0.00000
    148       3.4153      0.00000
    149       3.4823      0.00000
    150       3.6098      0.00000
    151       3.6592      0.00000
    152       3.6673      0.00000
    153       3.6812      0.00000
    154       3.8961      0.00000
    155       3.9812      0.00000
    156       4.0278      0.00000
    157       4.0767      0.00000
    158       4.2414      0.00000
    159       4.2594      0.00000
    160       4.2698      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1415      1.00000
      2     -22.0485      1.00000
      3     -21.8864      1.00000
      4     -21.3359      1.00000
      5     -20.9772      1.00000
      6     -20.9476      1.00000
      7     -20.4285      1.00000
      8     -20.3964      1.00000
      9     -20.2167      1.00000
     10     -20.2143      1.00000
     11     -19.8882      1.00000
     12     -19.8244      1.00000
     13     -18.8182      1.00000
     14     -18.7472      1.00000
     15     -18.2660      1.00000
     16     -18.2524      1.00000
     17     -18.0809      1.00000
     18     -18.0737      1.00000
     19     -17.7461      1.00000
     20     -17.7309      1.00000
     21     -17.1956      1.00000
     22     -17.1717      1.00000
     23     -17.0889      1.00000
     24     -17.0683      1.00000
     25     -16.0551      1.00000
     26     -15.8087      1.00000
     27     -15.7991      1.00000
     28     -15.7781      1.00000
     29     -15.1592      1.00000
     30     -14.4859      1.00000
     31     -14.4645      1.00000
     32     -14.2041      1.00000
     33     -13.9177      1.00000
     34     -13.8873      1.00000
     35     -13.7598      1.00000
     36     -13.7393      1.00000
     37     -13.5362      1.00000
     38     -13.5108      1.00000
     39     -13.3020      1.00000
     40     -12.5776      1.00000
     41     -12.1010      1.00000
     42     -12.0776      1.00000
     43     -11.9984      1.00000
     44     -11.9512      1.00000
     45     -11.6068      1.00000
     46     -11.5988      1.00000
     47     -11.0853      1.00000
     48     -11.0610      1.00000
     49     -10.7320      1.00000
     50     -10.6648      1.00000
     51     -10.5607      1.00000
     52     -10.1404      1.00000
     53     -10.1360      1.00000
     54     -10.1010      1.00000
     55      -9.9669      1.00000
     56      -9.9258      1.00000
     57      -9.9219      1.00000
     58      -9.7522      1.00000
     59      -9.7297      1.00000
     60      -9.6980      1.00000
     61      -9.6950      1.00000
     62      -9.4015      1.00000
     63      -9.3891      1.00000
     64      -9.0694      1.00000
     65      -8.9834      1.00000
     66      -8.9819      1.00000
     67      -8.9059      1.00000
     68      -8.8122      1.00000
     69      -8.6504      1.00000
     70      -8.6342      1.00000
     71      -8.5489      1.00000
     72      -8.5019      1.00000
     73      -8.4826      1.00000
     74      -8.3944      1.00000
     75      -8.3831      1.00000
     76      -8.2102      1.00000
     77      -8.1024      1.00000
     78      -8.0072      1.00000
     79      -7.9024      1.00000
     80      -7.8444      1.00000
     81      -7.6220      1.00000
     82      -7.5329      1.00000
     83      -7.4570      1.00000
     84      -7.2534      1.00000
     85      -6.9446      1.00000
     86      -6.8696      1.00000
     87      -6.8109      1.00000
     88      -6.4785      1.00000
     89      -6.4681      1.00000
     90      -6.4095      1.00000
     91      -6.3601      1.00000
     92      -6.1919      1.00000
     93      -5.8583      1.00000
     94      -5.7380      1.00000
     95      -5.7113      1.00000
     96      -5.5242      1.00000
     97      -5.3299      1.00000
     98      -5.1723      1.00000
     99      -5.1679      1.00000
    100      -5.1343      1.00000
    101      -4.6965      1.00000
    102      -4.3487      1.00000
    103      -4.2811      1.00000
    104      -4.0303      1.00000
    105      -3.8313      1.00000
    106      -3.2335      1.00000
    107      -2.4047      0.00000
    108      -1.3455      0.00000
    109      -1.2446      0.00000
    110      -1.1527      0.00000
    111      -1.1084      0.00000
    112      -0.5826      0.00000
    113      -0.5220      0.00000
    114      -0.4341      0.00000
    115      -0.2748      0.00000
    116      -0.0707      0.00000
    117      -0.0110      0.00000
    118       0.0596      0.00000
    119       0.5835      0.00000
    120       0.7108      0.00000
    121       0.8110      0.00000
    122       0.9458      0.00000
    123       1.1849      0.00000
    124       1.5128      0.00000
    125       1.6208      0.00000
    126       1.8645      0.00000
    127       2.0071      0.00000
    128       2.0519      0.00000
    129       2.1170      0.00000
    130       2.1508      0.00000
    131       2.2632      0.00000
    132       2.2862      0.00000
    133       2.3486      0.00000
    134       2.4577      0.00000
    135       2.6106      0.00000
    136       2.7034      0.00000
    137       2.8225      0.00000
    138       2.9148      0.00000
    139       2.9427      0.00000
    140       3.0208      0.00000
    141       3.0529      0.00000
    142       3.1594      0.00000
    143       3.1619      0.00000
    144       3.2300      0.00000
    145       3.3007      0.00000
    146       3.3123      0.00000
    147       3.3545      0.00000
    148       3.3746      0.00000
    149       3.4194      0.00000
    150       3.4511      0.00000
    151       3.5660      0.00000
    152       3.6153      0.00000
    153       3.6996      0.00000
    154       3.7242      0.00000
    155       3.8509      0.00000
    156       3.9094      0.00000
    157       3.9337      0.00000
    158       3.9639      0.00000
    159       4.1525      0.00000
    160       4.1860      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2142      1.00000
      2     -22.0089      1.00000
      3     -21.6469      1.00000
      4     -21.6155      1.00000
      5     -20.9105      1.00000
      6     -20.8696      1.00000
      7     -20.5398      1.00000
      8     -20.5072      1.00000
      9     -20.5003      1.00000
     10     -19.9630      1.00000
     11     -19.4418      1.00000
     12     -19.4192      1.00000
     13     -19.2405      1.00000
     14     -19.2332      1.00000
     15     -18.3768      1.00000
     16     -18.3415      1.00000
     17     -17.8595      1.00000
     18     -17.8431      1.00000
     19     -17.6920      1.00000
     20     -17.6559      1.00000
     21     -17.3729      1.00000
     22     -17.3584      1.00000
     23     -17.2676      1.00000
     24     -16.4140      1.00000
     25     -16.3906      1.00000
     26     -15.9057      1.00000
     27     -15.3438      1.00000
     28     -15.3390      1.00000
     29     -15.0314      1.00000
     30     -15.0218      1.00000
     31     -14.7763      1.00000
     32     -14.7745      1.00000
     33     -14.2389      1.00000
     34     -14.1875      1.00000
     35     -13.3890      1.00000
     36     -13.3338      1.00000
     37     -13.1113      1.00000
     38     -13.1035      1.00000
     39     -12.9188      1.00000
     40     -12.9130      1.00000
     41     -12.5455      1.00000
     42     -12.5380      1.00000
     43     -12.1345      1.00000
     44     -11.5138      1.00000
     45     -11.4694      1.00000
     46     -11.2449      1.00000
     47     -11.2132      1.00000
     48     -11.0876      1.00000
     49     -10.7075      1.00000
     50     -10.5956      1.00000
     51     -10.5101      1.00000
     52     -10.2523      1.00000
     53     -10.2482      1.00000
     54     -10.1224      1.00000
     55     -10.0542      1.00000
     56     -10.0395      1.00000
     57      -9.7855      1.00000
     58      -9.6881      1.00000
     59      -9.6744      1.00000
     60      -9.6383      1.00000
     61      -9.6286      1.00000
     62      -9.5860      1.00000
     63      -9.2963      1.00000
     64      -9.2844      1.00000
     65      -9.2530      1.00000
     66      -9.0662      1.00000
     67      -8.8952      1.00000
     68      -8.8846      1.00000
     69      -8.7188      1.00000
     70      -8.5823      1.00000
     71      -8.5261      1.00000
     72      -8.3513      1.00000
     73      -8.3051      1.00000
     74      -8.2433      1.00000
     75      -8.2389      1.00000
     76      -8.1942      1.00000
     77      -8.1819      1.00000
     78      -8.1698      1.00000
     79      -8.1085      1.00000
     80      -7.6902      1.00000
     81      -7.4189      1.00000
     82      -7.3454      1.00000
     83      -7.2586      1.00000
     84      -7.1699      1.00000
     85      -7.1113      1.00000
     86      -7.0044      1.00000
     87      -6.9043      1.00000
     88      -6.8476      1.00000
     89      -6.5415      1.00000
     90      -6.4998      1.00000
     91      -6.2141      1.00000
     92      -6.2013      1.00000
     93      -5.8948      1.00000
     94      -5.6744      1.00000
     95      -5.6087      1.00000
     96      -5.5807      1.00000
     97      -5.2534      1.00000
     98      -5.2317      1.00000
     99      -5.1652      1.00000
    100      -5.1349      1.00000
    101      -4.6003      1.00000
    102      -4.2509      1.00000
    103      -4.0468      1.00000
    104      -3.8851      1.00000
    105      -3.8431      1.00000
    106      -3.8012      1.00000
    107      -1.8074      0.00000
    108      -1.7803      0.00000
    109      -1.2255      0.00000
    110      -1.1763      0.00000
    111      -0.9737      0.00000
    112      -0.7342      0.00000
    113      -0.6504      0.00000
    114      -0.5939      0.00000
    115      -0.5499      0.00000
    116      -0.1520      0.00000
    117       0.1758      0.00000
    118       0.2878      0.00000
    119       0.7068      0.00000
    120       0.9508      0.00000
    121       1.1693      0.00000
    122       1.2780      0.00000
    123       1.3477      0.00000
    124       1.5141      0.00000
    125       1.6094      0.00000
    126       1.6294      0.00000
    127       1.6926      0.00000
    128       1.7742      0.00000
    129       1.8658      0.00000
    130       2.0779      0.00000
    131       2.1676      0.00000
    132       2.3170      0.00000
    133       2.3970      0.00000
    134       2.4239      0.00000
    135       2.5586      0.00000
    136       2.6265      0.00000
    137       2.6889      0.00000
    138       2.7436      0.00000
    139       2.8157      0.00000
    140       2.9101      0.00000
    141       3.0565      0.00000
    142       3.0630      0.00000
    143       3.1868      0.00000
    144       3.2841      0.00000
    145       3.3824      0.00000
    146       3.4170      0.00000
    147       3.4621      0.00000
    148       3.5487      0.00000
    149       3.5801      0.00000
    150       3.6364      0.00000
    151       3.6668      0.00000
    152       3.7016      0.00000
    153       3.7877      0.00000
    154       3.7990      0.00000
    155       3.8273      0.00000
    156       3.8971      0.00000
    157       3.9101      0.00000
    158       3.9798      0.00000
    159       4.1916      0.00000
    160       4.2350      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3568      1.00000
      2     -21.5373      1.00000
      3     -21.4073      1.00000
      4     -21.4063      1.00000
      5     -21.3751      1.00000
      6     -21.3660      1.00000
      7     -21.3586      1.00000
      8     -19.6470      1.00000
      9     -19.5722      1.00000
     10     -19.5652      1.00000
     11     -19.5586      1.00000
     12     -19.5408      1.00000
     13     -19.5379      1.00000
     14     -18.7288      1.00000
     15     -18.6798      1.00000
     16     -18.6724      1.00000
     17     -18.6586      1.00000
     18     -18.6433      1.00000
     19     -18.6420      1.00000
     20     -16.5865      1.00000
     21     -16.5263      1.00000
     22     -16.5240      1.00000
     23     -16.5118      1.00000
     24     -16.4872      1.00000
     25     -16.4856      1.00000
     26     -15.5601      1.00000
     27     -15.5267      1.00000
     28     -15.5259      1.00000
     29     -15.4993      1.00000
     30     -15.4950      1.00000
     31     -15.4886      1.00000
     32     -14.2071      1.00000
     33     -14.1802      1.00000
     34     -14.1678      1.00000
     35     -14.1652      1.00000
     36     -14.1600      1.00000
     37     -14.1492      1.00000
     38     -11.8853      1.00000
     39     -11.8091      1.00000
     40     -11.7924      1.00000
     41     -11.7918      1.00000
     42     -11.7888      1.00000
     43     -11.7825      1.00000
     44     -11.7049      1.00000
     45     -11.6987      1.00000
     46     -11.6730      1.00000
     47     -11.6580      1.00000
     48     -11.6579      1.00000
     49     -11.6511      1.00000
     50     -10.6750      1.00000
     51     -10.3296      1.00000
     52     -10.3212      1.00000
     53     -10.3057      1.00000
     54     -10.3050      1.00000
     55     -10.2912      1.00000
     56     -10.2780      1.00000
     57      -9.9287      1.00000
     58      -9.3731      1.00000
     59      -9.3595      1.00000
     60      -9.3003      1.00000
     61      -9.2920      1.00000
     62      -9.2852      1.00000
     63      -9.0937      1.00000
     64      -9.0541      1.00000
     65      -9.0500      1.00000
     66      -9.0262      1.00000
     67      -9.0079      1.00000
     68      -9.0023      1.00000
     69      -9.0014      1.00000
     70      -8.9949      1.00000
     71      -8.9926      1.00000
     72      -8.9716      1.00000
     73      -8.9644      1.00000
     74      -8.9550      1.00000
     75      -8.4997      1.00000
     76      -7.5151      1.00000
     77      -7.4117      1.00000
     78      -7.4100      1.00000
     79      -7.4009      1.00000
     80      -7.3836      1.00000
     81      -7.3649      1.00000
     82      -7.3408      1.00000
     83      -7.3095      1.00000
     84      -7.2695      1.00000
     85      -7.2065      1.00000
     86      -7.1804      1.00000
     87      -7.1802      1.00000
     88      -7.0750      1.00000
     89      -6.5094      1.00000
     90      -6.4618      1.00000
     91      -6.3555      1.00000
     92      -6.2934      1.00000
     93      -6.2880      1.00000
     94      -6.2864      1.00000
     95      -5.8983      1.00000
     96      -5.8843      1.00000
     97      -5.0496      1.00000
     98      -4.9380      1.00000
     99      -4.5399      1.00000
    100      -4.3414      1.00000
    101      -4.3182      1.00000
    102      -4.3175      1.00000
    103      -4.1154      1.00000
    104      -3.9131      1.00000
    105      -3.9009      1.00000
    106      -3.8351      1.00000
    107      -1.6821      0.00000
    108      -1.6690      0.00000
    109      -1.5360      0.00000
    110      -1.5354      0.00000
    111      -1.5224      0.00000
    112      -1.5087      0.00000
    113      -0.5853      0.00000
    114       0.1333      0.00000
    115       0.2066      0.00000
    116       0.3244      0.00000
    117       0.3265      0.00000
    118       0.3337      0.00000
    119       0.4962      0.00000
    120       0.5977      0.00000
    121       1.2593      0.00000
    122       1.2757      0.00000
    123       1.5307      0.00000
    124       1.7920      0.00000
    125       1.8053      0.00000
    126       1.8084      0.00000
    127       1.8136      0.00000
    128       1.9459      0.00000
    129       1.9818      0.00000
    130       2.0318      0.00000
    131       2.0457      0.00000
    132       2.0510      0.00000
    133       2.0551      0.00000
    134       2.0612      0.00000
    135       2.3097      0.00000
    136       2.3236      0.00000
    137       2.6176      0.00000
    138       2.6246      0.00000
    139       2.6549      0.00000
    140       2.7323      0.00000
    141       2.8641      0.00000
    142       3.0220      0.00000
    143       3.0475      0.00000
    144       3.0876      0.00000
    145       3.0957      0.00000
    146       3.0994      0.00000
    147       3.1015      0.00000
    148       3.2385      0.00000
    149       3.4494      0.00000
    150       3.5410      0.00000
    151       3.7860      0.00000
    152       3.9455      0.00000
    153       3.9558      0.00000
    154       3.9624      0.00000
    155       3.9705      0.00000
    156       3.9983      0.00000
    157       4.1826      0.00000
    158       4.2686      0.00000
    159       4.2888      0.00000
    160       4.2891      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3202      1.00000
      2     -21.7617      1.00000
      3     -21.5709      1.00000
      4     -21.5381      1.00000
      5     -21.2081      1.00000
      6     -21.1631      1.00000
      7     -20.9874      1.00000
      8     -20.1021      1.00000
      9     -20.0578      1.00000
     10     -19.5467      1.00000
     11     -19.5219      1.00000
     12     -19.3494      1.00000
     13     -19.0252      1.00000
     14     -18.9899      1.00000
     15     -18.9815      1.00000
     16     -18.9694      1.00000
     17     -18.2976      1.00000
     18     -18.2783      1.00000
     19     -17.9523      1.00000
     20     -17.0100      1.00000
     21     -16.9599      1.00000
     22     -16.8789      1.00000
     23     -16.8689      1.00000
     24     -16.4052      1.00000
     25     -16.3902      1.00000
     26     -15.5528      1.00000
     27     -15.5359      1.00000
     28     -15.1982      1.00000
     29     -15.1693      1.00000
     30     -15.1148      1.00000
     31     -15.0280      1.00000
     32     -15.0027      1.00000
     33     -14.6366      1.00000
     34     -14.6247      1.00000
     35     -13.6678      1.00000
     36     -13.6523      1.00000
     37     -13.1698      1.00000
     38     -12.5516      1.00000
     39     -12.5175      1.00000
     40     -12.3913      1.00000
     41     -12.3781      1.00000
     42     -12.0579      1.00000
     43     -12.0349      1.00000
     44     -11.6599      1.00000
     45     -11.6176      1.00000
     46     -11.1814      1.00000
     47     -11.1567      1.00000
     48     -10.9656      1.00000
     49     -10.9409      1.00000
     50     -10.8744      1.00000
     51     -10.8375      1.00000
     52     -10.6035      1.00000
     53     -10.0940      1.00000
     54     -10.0887      1.00000
     55     -10.0469      1.00000
     56      -9.9708      1.00000
     57      -9.6550      1.00000
     58      -9.6292      1.00000
     59      -9.5924      1.00000
     60      -9.5296      1.00000
     61      -9.5115      1.00000
     62      -9.4792      1.00000
     63      -9.2648      1.00000
     64      -9.2413      1.00000
     65      -9.2212      1.00000
     66      -9.1667      1.00000
     67      -9.0686      1.00000
     68      -9.0469      1.00000
     69      -9.0412      1.00000
     70      -8.8829      1.00000
     71      -8.8068      1.00000
     72      -8.5785      1.00000
     73      -8.5230      1.00000
     74      -8.4610      1.00000
     75      -8.0352      1.00000
     76      -7.8119      1.00000
     77      -7.8073      1.00000
     78      -7.7932      1.00000
     79      -7.7007      1.00000
     80      -7.6907      1.00000
     81      -7.3640      1.00000
     82      -7.2736      1.00000
     83      -7.2651      1.00000
     84      -7.2159      1.00000
     85      -7.1730      1.00000
     86      -7.0089      1.00000
     87      -6.9480      1.00000
     88      -6.7475      1.00000
     89      -6.6726      1.00000
     90      -6.5941      1.00000
     91      -6.5594      1.00000
     92      -6.0507      1.00000
     93      -6.0476      1.00000
     94      -6.0222      1.00000
     95      -5.9592      1.00000
     96      -5.7368      1.00000
     97      -5.1573      1.00000
     98      -4.9906      1.00000
     99      -4.7191      1.00000
    100      -4.6113      1.00000
    101      -4.4405      1.00000
    102      -4.3743      1.00000
    103      -4.1227      1.00000
    104      -3.8685      1.00000
    105      -3.8349      1.00000
    106      -3.7904      1.00000
    107      -1.7858      0.00000
    108      -1.7388      0.00000
    109      -1.3947      0.00000
    110      -1.3466      0.00000
    111      -1.2640      0.00000
    112      -1.2255      0.00000
    113      -0.7451      0.00000
    114      -0.3789      0.00000
    115      -0.2208      0.00000
    116      -0.0182      0.00000
    117       0.5915      0.00000
    118       0.7370      0.00000
    119       0.7641      0.00000
    120       1.0496      0.00000
    121       1.1417      0.00000
    122       1.2507      0.00000
    123       1.2730      0.00000
    124       1.4155      0.00000
    125       1.4812      0.00000
    126       1.5892      0.00000
    127       1.7568      0.00000
    128       1.8409      0.00000
    129       1.8962      0.00000
    130       1.9595      0.00000
    131       2.1069      0.00000
    132       2.2391      0.00000
    133       2.2508      0.00000
    134       2.2997      0.00000
    135       2.4907      0.00000
    136       2.6181      0.00000
    137       2.6374      0.00000
    138       2.7703      0.00000
    139       2.8041      0.00000
    140       2.8546      0.00000
    141       2.8669      0.00000
    142       2.8923      0.00000
    143       2.9561      0.00000
    144       3.0881      0.00000
    145       3.2839      0.00000
    146       3.3096      0.00000
    147       3.3733      0.00000
    148       3.4049      0.00000
    149       3.4701      0.00000
    150       3.5925      0.00000
    151       3.6374      0.00000
    152       3.6727      0.00000
    153       3.7108      0.00000
    154       3.9108      0.00000
    155       3.9432      0.00000
    156       3.9843      0.00000
    157       4.0866      0.00000
    158       4.2073      0.00000
    159       4.2491      0.00000
    160       4.2996      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2146      1.00000
      2     -22.0082      1.00000
      3     -21.6496      1.00000
      4     -21.6125      1.00000
      5     -20.9134      1.00000
      6     -20.8669      1.00000
      7     -20.5461      1.00000
      8     -20.5066      1.00000
      9     -20.4962      1.00000
     10     -19.9639      1.00000
     11     -19.4429      1.00000
     12     -19.4156      1.00000
     13     -19.2419      1.00000
     14     -19.2275      1.00000
     15     -18.3845      1.00000
     16     -18.3402      1.00000
     17     -17.8604      1.00000
     18     -17.8393      1.00000
     19     -17.6982      1.00000
     20     -17.6556      1.00000
     21     -17.3724      1.00000
     22     -17.3563      1.00000
     23     -17.2747      1.00000
     24     -16.4016      1.00000
     25     -16.3867      1.00000
     26     -15.8966      1.00000
     27     -15.3534      1.00000
     28     -15.3374      1.00000
     29     -15.0354      1.00000
     30     -15.0211      1.00000
     31     -14.8000      1.00000
     32     -14.7753      1.00000
     33     -14.2223      1.00000
     34     -14.1898      1.00000
     35     -13.3715      1.00000
     36     -13.3371      1.00000
     37     -13.1205      1.00000
     38     -13.1028      1.00000
     39     -12.9166      1.00000
     40     -12.9030      1.00000
     41     -12.5573      1.00000
     42     -12.5392      1.00000
     43     -12.1334      1.00000
     44     -11.5228      1.00000
     45     -11.4745      1.00000
     46     -11.2544      1.00000
     47     -11.2203      1.00000
     48     -11.0797      1.00000
     49     -10.6604      1.00000
     50     -10.5890      1.00000
     51     -10.5244      1.00000
     52     -10.2578      1.00000
     53     -10.2496      1.00000
     54     -10.1233      1.00000
     55     -10.0487      1.00000
     56     -10.0418      1.00000
     57      -9.7704      1.00000
     58      -9.7052      1.00000
     59      -9.6805      1.00000
     60      -9.6310      1.00000
     61      -9.6263      1.00000
     62      -9.5880      1.00000
     63      -9.2950      1.00000
     64      -9.2855      1.00000
     65      -9.2539      1.00000
     66      -9.0891      1.00000
     67      -8.8971      1.00000
     68      -8.8841      1.00000
     69      -8.7250      1.00000
     70      -8.5898      1.00000
     71      -8.5148      1.00000
     72      -8.3311      1.00000
     73      -8.3030      1.00000
     74      -8.2651      1.00000
     75      -8.2335      1.00000
     76      -8.1950      1.00000
     77      -8.1867      1.00000
     78      -8.1712      1.00000
     79      -8.1020      1.00000
     80      -7.6888      1.00000
     81      -7.3569      1.00000
     82      -7.3108      1.00000
     83      -7.2642      1.00000
     84      -7.1876      1.00000
     85      -7.1254      1.00000
     86      -7.0772      1.00000
     87      -6.9073      1.00000
     88      -6.8826      1.00000
     89      -6.5502      1.00000
     90      -6.4926      1.00000
     91      -6.2105      1.00000
     92      -6.0705      1.00000
     93      -5.9427      1.00000
     94      -5.7158      1.00000
     95      -5.6334      1.00000
     96      -5.4528      1.00000
     97      -5.3055      1.00000
     98      -5.2344      1.00000
     99      -5.1524      1.00000
    100      -5.1517      1.00000
    101      -4.5234      1.00000
    102      -4.4711      1.00000
    103      -4.1441      1.00000
    104      -3.8380      1.00000
    105      -3.7574      1.00000
    106      -3.6795      1.00000
    107      -1.8714      0.00000
    108      -1.8243      0.00000
    109      -1.2773      0.00000
    110      -1.0368      0.00000
    111      -1.0114      0.00000
    112      -0.7124      0.00000
    113      -0.6402      0.00000
    114      -0.5882      0.00000
    115      -0.5458      0.00000
    116      -0.2022      0.00000
    117       0.2523      0.00000
    118       0.2789      0.00000
    119       0.7620      0.00000
    120       0.9464      0.00000
    121       1.1327      0.00000
    122       1.2272      0.00000
    123       1.3210      0.00000
    124       1.4132      0.00000
    125       1.6030      0.00000
    126       1.6338      0.00000
    127       1.7044      0.00000
    128       1.8231      0.00000
    129       1.9229      0.00000
    130       2.0162      0.00000
    131       2.1076      0.00000
    132       2.3265      0.00000
    133       2.3969      0.00000
    134       2.4352      0.00000
    135       2.5445      0.00000
    136       2.6359      0.00000
    137       2.7529      0.00000
    138       2.8211      0.00000
    139       2.8349      0.00000
    140       2.8893      0.00000
    141       3.0471      0.00000
    142       3.0927      0.00000
    143       3.1902      0.00000
    144       3.2425      0.00000
    145       3.3904      0.00000
    146       3.4245      0.00000
    147       3.4863      0.00000
    148       3.5790      0.00000
    149       3.6047      0.00000
    150       3.6284      0.00000
    151       3.6524      0.00000
    152       3.7436      0.00000
    153       3.7726      0.00000
    154       3.7906      0.00000
    155       3.8066      0.00000
    156       3.8981      0.00000
    157       3.9810      0.00000
    158       4.0109      0.00000
    159       4.1800      0.00000
    160       4.2394      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2484      1.00000
      2     -21.8940      1.00000
      3     -21.8233      1.00000
      4     -21.3121      1.00000
      5     -21.2816      1.00000
      6     -20.7708      1.00000
      7     -20.7048      1.00000
      8     -20.5564      1.00000
      9     -20.0094      1.00000
     10     -20.0014      1.00000
     11     -19.6482      1.00000
     12     -19.6237      1.00000
     13     -18.9300      1.00000
     14     -18.9210      1.00000
     15     -18.5706      1.00000
     16     -18.5572      1.00000
     17     -18.3940      1.00000
     18     -17.6154      1.00000
     19     -17.5588      1.00000
     20     -17.5536      1.00000
     21     -17.5122      1.00000
     22     -17.0558      1.00000
     23     -17.0386      1.00000
     24     -16.8914      1.00000
     25     -15.9295      1.00000
     26     -15.8683      1.00000
     27     -15.5161      1.00000
     28     -15.5158      1.00000
     29     -15.2292      1.00000
     30     -14.7943      1.00000
     31     -14.7675      1.00000
     32     -14.5153      1.00000
     33     -14.4713      1.00000
     34     -14.1025      1.00000
     35     -14.0911      1.00000
     36     -13.0761      1.00000
     37     -13.0327      1.00000
     38     -12.9672      1.00000
     39     -12.9547      1.00000
     40     -12.6456      1.00000
     41     -12.6384      1.00000
     42     -12.2745      1.00000
     43     -12.2430      1.00000
     44     -11.5884      1.00000
     45     -11.5612      1.00000
     46     -11.5073      1.00000
     47     -10.9055      1.00000
     48     -10.8513      1.00000
     49     -10.6222      1.00000
     50     -10.5587      1.00000
     51     -10.4855      1.00000
     52     -10.4340      1.00000
     53     -10.4242      1.00000
     54     -10.3705      1.00000
     55     -10.2935      1.00000
     56     -10.0656      1.00000
     57      -9.8334      1.00000
     58      -9.5477      1.00000
     59      -9.4883      1.00000
     60      -9.4720      1.00000
     61      -9.3466      1.00000
     62      -9.3308      1.00000
     63      -9.3101      1.00000
     64      -9.3084      1.00000
     65      -9.2145      1.00000
     66      -9.1130      1.00000
     67      -9.0812      1.00000
     68      -9.0507      1.00000
     69      -8.8486      1.00000
     70      -8.7931      1.00000
     71      -8.7747      1.00000
     72      -8.5272      1.00000
     73      -8.4759      1.00000
     74      -8.2227      1.00000
     75      -8.1110      1.00000
     76      -8.0996      1.00000
     77      -7.8076      1.00000
     78      -7.7834      1.00000
     79      -7.7820      1.00000
     80      -7.6738      1.00000
     81      -7.6312      1.00000
     82      -7.6308      1.00000
     83      -7.4009      1.00000
     84      -7.3249      1.00000
     85      -7.2001      1.00000
     86      -6.8404      1.00000
     87      -6.8292      1.00000
     88      -6.6626      1.00000
     89      -6.5389      1.00000
     90      -6.3441      1.00000
     91      -6.3074      1.00000
     92      -6.1845      1.00000
     93      -6.1486      1.00000
     94      -5.9779      1.00000
     95      -5.5729      1.00000
     96      -5.4264      1.00000
     97      -5.2589      1.00000
     98      -5.2514      1.00000
     99      -5.1493      1.00000
    100      -4.6958      1.00000
    101      -4.6656      1.00000
    102      -4.3493      1.00000
    103      -4.3164      1.00000
    104      -3.9651      1.00000
    105      -3.8315      1.00000
    106      -3.3891      1.00000
    107      -2.2209      0.00000
    108      -1.3777      0.00000
    109      -1.2871      0.00000
    110      -1.1731      0.00000
    111      -1.0776      0.00000
    112      -0.8932      0.00000
    113      -0.7677      0.00000
    114      -0.7572      0.00000
    115      -0.2179      0.00000
    116       0.1128      0.00000
    117       0.2634      0.00000
    118       0.3461      0.00000
    119       0.7359      0.00000
    120       0.9041      0.00000
    121       0.9719      0.00000
    122       1.0953      0.00000
    123       1.2099      0.00000
    124       1.5308      0.00000
    125       1.5668      0.00000
    126       1.7170      0.00000
    127       1.8389      0.00000
    128       1.8625      0.00000
    129       1.9692      0.00000
    130       2.0031      0.00000
    131       2.1601      0.00000
    132       2.2724      0.00000
    133       2.4585      0.00000
    134       2.4676      0.00000
    135       2.5027      0.00000
    136       2.6662      0.00000
    137       2.6866      0.00000
    138       2.7347      0.00000
    139       2.7479      0.00000
    140       2.8962      0.00000
    141       3.0255      0.00000
    142       3.0878      0.00000
    143       3.1927      0.00000
    144       3.2520      0.00000
    145       3.2608      0.00000
    146       3.2725      0.00000
    147       3.3665      0.00000
    148       3.4852      0.00000
    149       3.5323      0.00000
    150       3.6995      0.00000
    151       3.7589      0.00000
    152       3.7709      0.00000
    153       3.8373      0.00000
    154       3.8843      0.00000
    155       3.9472      0.00000
    156       3.9868      0.00000
    157       4.0241      0.00000
    158       4.0512      0.00000
    159       4.0561      0.00000
    160       4.0877      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1425      1.00000
      2     -22.0471      1.00000
      3     -21.8869      1.00000
      4     -21.3350      1.00000
      5     -20.9821      1.00000
      6     -20.9435      1.00000
      7     -20.4338      1.00000
      8     -20.3910      1.00000
      9     -20.2269      1.00000
     10     -20.2054      1.00000
     11     -19.8895      1.00000
     12     -19.8218      1.00000
     13     -18.8153      1.00000
     14     -18.7440      1.00000
     15     -18.2906      1.00000
     16     -18.2365      1.00000
     17     -18.0860      1.00000
     18     -18.0661      1.00000
     19     -17.7622      1.00000
     20     -17.7192      1.00000
     21     -17.1892      1.00000
     22     -17.1701      1.00000
     23     -17.1000      1.00000
     24     -17.0641      1.00000
     25     -16.0380      1.00000
     26     -15.8239      1.00000
     27     -15.8001      1.00000
     28     -15.7646      1.00000
     29     -15.1742      1.00000
     30     -14.4918      1.00000
     31     -14.4588      1.00000
     32     -14.2183      1.00000
     33     -13.8953      1.00000
     34     -13.8905      1.00000
     35     -13.7562      1.00000
     36     -13.7360      1.00000
     37     -13.5524      1.00000
     38     -13.5032      1.00000
     39     -13.3003      1.00000
     40     -12.5645      1.00000
     41     -12.1261      1.00000
     42     -12.0662      1.00000
     43     -12.0108      1.00000
     44     -11.9519      1.00000
     45     -11.6111      1.00000
     46     -11.5882      1.00000
     47     -11.0858      1.00000
     48     -11.0523      1.00000
     49     -10.7542      1.00000
     50     -10.6644      1.00000
     51     -10.5276      1.00000
     52     -10.1486      1.00000
     53     -10.1390      1.00000
     54     -10.0962      1.00000
     55      -9.9533      1.00000
     56      -9.9479      1.00000
     57      -9.9176      1.00000
     58      -9.7384      1.00000
     59      -9.7311      1.00000
     60      -9.7017      1.00000
     61      -9.6906      1.00000
     62      -9.4299      1.00000
     63      -9.3637      1.00000
     64      -9.0870      1.00000
     65      -9.0065      1.00000
     66      -8.9752      1.00000
     67      -8.8886      1.00000
     68      -8.8116      1.00000
     69      -8.6588      1.00000
     70      -8.6350      1.00000
     71      -8.5791      1.00000
     72      -8.4789      1.00000
     73      -8.4683      1.00000
     74      -8.3986      1.00000
     75      -8.3946      1.00000
     76      -8.1841      1.00000
     77      -8.1145      1.00000
     78      -7.9774      1.00000
     79      -7.9156      1.00000
     80      -7.8470      1.00000
     81      -7.6182      1.00000
     82      -7.5303      1.00000
     83      -7.4698      1.00000
     84      -7.2567      1.00000
     85      -6.9346      1.00000
     86      -6.8580      1.00000
     87      -6.8111      1.00000
     88      -6.5753      1.00000
     89      -6.4680      1.00000
     90      -6.4207      1.00000
     91      -6.3569      1.00000
     92      -6.0531      1.00000
     93      -5.8781      1.00000
     94      -5.7532      1.00000
     95      -5.7220      1.00000
     96      -5.4777      1.00000
     97      -5.3466      1.00000
     98      -5.1804      1.00000
     99      -5.1564      1.00000
    100      -5.1548      1.00000
    101      -4.7080      1.00000
    102      -4.4413      1.00000
    103      -4.2562      1.00000
    104      -3.9968      1.00000
    105      -3.8303      1.00000
    106      -3.1559      1.00000
    107      -2.4633      0.00000
    108      -1.3791      0.00000
    109      -1.2419      0.00000
    110      -1.1458      0.00000
    111      -1.1147      0.00000
    112      -0.5636      0.00000
    113      -0.4347      0.00000
    114      -0.4296      0.00000
    115      -0.3107      0.00000
    116      -0.1897      0.00000
    117       0.0618      0.00000
    118       0.1173      0.00000
    119       0.5399      0.00000
    120       0.6841      0.00000
    121       0.8726      0.00000
    122       0.9698      0.00000
    123       1.1127      0.00000
    124       1.4968      0.00000
    125       1.6634      0.00000
    126       1.8088      0.00000
    127       1.8788      0.00000
    128       2.0967      0.00000
    129       2.1400      0.00000
    130       2.1955      0.00000
    131       2.2145      0.00000
    132       2.3402      0.00000
    133       2.3613      0.00000
    134       2.4875      0.00000
    135       2.5780      0.00000
    136       2.6717      0.00000
    137       2.8810      0.00000
    138       2.9380      0.00000
    139       2.9678      0.00000
    140       3.0011      0.00000
    141       3.0447      0.00000
    142       3.1532      0.00000
    143       3.1787      0.00000
    144       3.2504      0.00000
    145       3.2926      0.00000
    146       3.3342      0.00000
    147       3.3500      0.00000
    148       3.3813      0.00000
    149       3.4161      0.00000
    150       3.4987      0.00000
    151       3.5553      0.00000
    152       3.6357      0.00000
    153       3.6933      0.00000
    154       3.7116      0.00000
    155       3.7251      0.00000
    156       3.9225      0.00000
    157       3.9404      0.00000
    158       4.0615      0.00000
    159       4.0936      0.00000
    160       4.2070      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2482      1.00000
      2     -21.8955      1.00000
      3     -21.8218      1.00000
      4     -21.3166      1.00000
      5     -21.2777      1.00000
      6     -20.7719      1.00000
      7     -20.7028      1.00000
      8     -20.5549      1.00000
      9     -20.0232      1.00000
     10     -19.9907      1.00000
     11     -19.6507      1.00000
     12     -19.6195      1.00000
     13     -18.9438      1.00000
     14     -18.9089      1.00000
     15     -18.5844      1.00000
     16     -18.5467      1.00000
     17     -18.3924      1.00000
     18     -17.6022      1.00000
     19     -17.5709      1.00000
     20     -17.5415      1.00000
     21     -17.5087      1.00000
     22     -17.0750      1.00000
     23     -17.0275      1.00000
     24     -16.9004      1.00000
     25     -15.9459      1.00000
     26     -15.8512      1.00000
     27     -15.5338      1.00000
     28     -15.5069      1.00000
     29     -15.2092      1.00000
     30     -14.8146      1.00000
     31     -14.7615      1.00000
     32     -14.5099      1.00000
     33     -14.4680      1.00000
     34     -14.0963      1.00000
     35     -14.0932      1.00000
     36     -13.1056      1.00000
     37     -13.0301      1.00000
     38     -12.9570      1.00000
     39     -12.9496      1.00000
     40     -12.6563      1.00000
     41     -12.6277      1.00000
     42     -12.2745      1.00000
     43     -12.2473      1.00000
     44     -11.5732      1.00000
     45     -11.5535      1.00000
     46     -11.5006      1.00000
     47     -10.8787      1.00000
     48     -10.8688      1.00000
     49     -10.6835      1.00000
     50     -10.5256      1.00000
     51     -10.5208      1.00000
     52     -10.4335      1.00000
     53     -10.4164      1.00000
     54     -10.3707      1.00000
     55     -10.2885      1.00000
     56     -10.0613      1.00000
     57      -9.8321      1.00000
     58      -9.5598      1.00000
     59      -9.4850      1.00000
     60      -9.4452      1.00000
     61      -9.3554      1.00000
     62      -9.3397      1.00000
     63      -9.3082      1.00000
     64      -9.3032      1.00000
     65      -9.2062      1.00000
     66      -9.0995      1.00000
     67      -9.0683      1.00000
     68      -9.0491      1.00000
     69      -8.8517      1.00000
     70      -8.7966      1.00000
     71      -8.7786      1.00000
     72      -8.5271      1.00000
     73      -8.4975      1.00000
     74      -8.2277      1.00000
     75      -8.1292      1.00000
     76      -8.0935      1.00000
     77      -7.8075      1.00000
     78      -7.7679      1.00000
     79      -7.7398      1.00000
     80      -7.7033      1.00000
     81      -7.6363      1.00000
     82      -7.6246      1.00000
     83      -7.3881      1.00000
     84      -7.3445      1.00000
     85      -7.2196      1.00000
     86      -6.8440      1.00000
     87      -6.8206      1.00000
     88      -6.6405      1.00000
     89      -6.5297      1.00000
     90      -6.3420      1.00000
     91      -6.2733      1.00000
     92      -6.1956      1.00000
     93      -6.1317      1.00000
     94      -6.0216      1.00000
     95      -5.6379      1.00000
     96      -5.5090      1.00000
     97      -5.2978      1.00000
     98      -5.1562      1.00000
     99      -5.0408      1.00000
    100      -4.7269      1.00000
    101      -4.6860      1.00000
    102      -4.3683      1.00000
    103      -4.1857      1.00000
    104      -4.0099      1.00000
    105      -3.8298      1.00000
    106      -3.4842      1.00000
    107      -2.1642      0.00000
    108      -1.3835      0.00000
    109      -1.2362      0.00000
    110      -1.1844      0.00000
    111      -1.0140      0.00000
    112      -0.9564      0.00000
    113      -0.7977      0.00000
    114      -0.7522      0.00000
    115      -0.3653      0.00000
    116       0.2451      0.00000
    117       0.2767      0.00000
    118       0.3646      0.00000
    119       0.7019      0.00000
    120       0.8689      0.00000
    121       0.9659      0.00000
    122       1.1277      0.00000
    123       1.2375      0.00000
    124       1.4566      0.00000
    125       1.5596      0.00000
    126       1.7834      0.00000
    127       1.8510      0.00000
    128       1.8828      0.00000
    129       1.9898      0.00000
    130       2.0333      0.00000
    131       2.1976      0.00000
    132       2.2151      0.00000
    133       2.4057      0.00000
    134       2.4540      0.00000
    135       2.5478      0.00000
    136       2.6587      0.00000
    137       2.6850      0.00000
    138       2.7310      0.00000
    139       2.7727      0.00000
    140       2.8576      0.00000
    141       2.9690      0.00000
    142       3.0865      0.00000
    143       3.1882      0.00000
    144       3.2422      0.00000
    145       3.2578      0.00000
    146       3.2980      0.00000
    147       3.3400      0.00000
    148       3.4846      0.00000
    149       3.5138      0.00000
    150       3.7152      0.00000
    151       3.7257      0.00000
    152       3.7708      0.00000
    153       3.8640      0.00000
    154       3.8755      0.00000
    155       3.9026      0.00000
    156       3.9998      0.00000
    157       4.0017      0.00000
    158       4.0557      0.00000
    159       4.0640      0.00000
    160       4.0908      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3201      1.00000
      2     -21.7620      1.00000
      3     -21.5682      1.00000
      4     -21.5409      1.00000
      5     -21.2055      1.00000
      6     -21.1664      1.00000
      7     -20.9861      1.00000
      8     -20.0992      1.00000
      9     -20.0601      1.00000
     10     -19.5469      1.00000
     11     -19.5263      1.00000
     12     -19.3452      1.00000
     13     -19.0288      1.00000
     14     -18.9886      1.00000
     15     -18.9777      1.00000
     16     -18.9719      1.00000
     17     -18.2964      1.00000
     18     -18.2826      1.00000
     19     -17.9466      1.00000
     20     -17.0009      1.00000
     21     -16.9599      1.00000
     22     -16.8830      1.00000
     23     -16.8700      1.00000
     24     -16.4163      1.00000
     25     -16.3938      1.00000
     26     -15.5410      1.00000
     27     -15.5377      1.00000
     28     -15.1727      1.00000
     29     -15.1715      1.00000
     30     -15.1320      1.00000
     31     -15.0373      1.00000
     32     -15.0013      1.00000
     33     -14.6335      1.00000
     34     -14.6267      1.00000
     35     -13.6629      1.00000
     36     -13.6532      1.00000
     37     -13.1718      1.00000
     38     -12.5743      1.00000
     39     -12.5135      1.00000
     40     -12.3862      1.00000
     41     -12.3858      1.00000
     42     -12.0351      1.00000
     43     -12.0313      1.00000
     44     -11.6549      1.00000
     45     -11.6146      1.00000
     46     -11.2075      1.00000
     47     -11.1572      1.00000
     48     -10.9560      1.00000
     49     -10.9428      1.00000
     50     -10.8605      1.00000
     51     -10.8281      1.00000
     52     -10.6262      1.00000
     53     -10.1476      1.00000
     54     -10.0852      1.00000
     55     -10.0261      1.00000
     56      -9.9468      1.00000
     57      -9.6314      1.00000
     58      -9.6296      1.00000
     59      -9.6035      1.00000
     60      -9.5408      1.00000
     61      -9.5036      1.00000
     62      -9.4788      1.00000
     63      -9.2734      1.00000
     64      -9.2360      1.00000
     65      -9.2077      1.00000
     66      -9.1794      1.00000
     67      -9.0625      1.00000
     68      -9.0475      1.00000
     69      -9.0440      1.00000
     70      -8.8771      1.00000
     71      -8.8086      1.00000
     72      -8.5366      1.00000
     73      -8.5325      1.00000
     74      -8.5016      1.00000
     75      -8.0322      1.00000
     76      -7.8321      1.00000
     77      -7.8006      1.00000
     78      -7.7739      1.00000
     79      -7.7042      1.00000
     80      -7.6848      1.00000
     81      -7.4138      1.00000
     82      -7.2887      1.00000
     83      -7.2516      1.00000
     84      -7.2040      1.00000
     85      -7.0824      1.00000
     86      -7.0752      1.00000
     87      -6.9377      1.00000
     88      -6.7120      1.00000
     89      -6.6747      1.00000
     90      -6.6294      1.00000
     91      -6.5572      1.00000
     92      -6.0726      1.00000
     93      -6.0323      1.00000
     94      -6.0013      1.00000
     95      -5.9370      1.00000
     96      -5.8008      1.00000
     97      -5.1824      1.00000
     98      -4.8958      1.00000
     99      -4.7943      1.00000
    100      -4.6111      1.00000
    101      -4.5128      1.00000
    102      -4.1412      1.00000
    103      -4.0916      1.00000
    104      -3.9309      1.00000
    105      -3.9169      1.00000
    106      -3.8289      1.00000
    107      -1.7517      0.00000
    108      -1.6957      0.00000
    109      -1.4101      0.00000
    110      -1.3719      0.00000
    111      -1.2643      0.00000
    112      -1.2361      0.00000
    113      -0.6237      0.00000
    114      -0.5990      0.00000
    115      -0.1899      0.00000
    116       0.0426      0.00000
    117       0.5854      0.00000
    118       0.7412      0.00000
    119       0.8499      0.00000
    120       0.9284      0.00000
    121       1.1674      0.00000
    122       1.2118      0.00000
    123       1.2470      0.00000
    124       1.4221      0.00000
    125       1.5996      0.00000
    126       1.6419      0.00000
    127       1.7065      0.00000
    128       1.8043      0.00000
    129       1.9227      0.00000
    130       1.9401      0.00000
    131       2.1510      0.00000
    132       2.1751      0.00000
    133       2.2626      0.00000
    134       2.3049      0.00000
    135       2.5452      0.00000
    136       2.5635      0.00000
    137       2.6353      0.00000
    138       2.7626      0.00000
    139       2.8142      0.00000
    140       2.8433      0.00000
    141       2.8938      0.00000
    142       2.9409      0.00000
    143       3.0176      0.00000
    144       3.0315      0.00000
    145       3.0937      0.00000
    146       3.3159      0.00000
    147       3.3676      0.00000
    148       3.4153      0.00000
    149       3.4823      0.00000
    150       3.6098      0.00000
    151       3.6592      0.00000
    152       3.6673      0.00000
    153       3.6812      0.00000
    154       3.8961      0.00000
    155       3.9812      0.00000
    156       4.0278      0.00000
    157       4.0767      0.00000
    158       4.2414      0.00000
    159       4.2594      0.00000
    160       4.2698      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1415      1.00000
      2     -22.0485      1.00000
      3     -21.8864      1.00000
      4     -21.3359      1.00000
      5     -20.9772      1.00000
      6     -20.9476      1.00000
      7     -20.4285      1.00000
      8     -20.3964      1.00000
      9     -20.2167      1.00000
     10     -20.2143      1.00000
     11     -19.8882      1.00000
     12     -19.8244      1.00000
     13     -18.8182      1.00000
     14     -18.7472      1.00000
     15     -18.2660      1.00000
     16     -18.2524      1.00000
     17     -18.0809      1.00000
     18     -18.0737      1.00000
     19     -17.7461      1.00000
     20     -17.7309      1.00000
     21     -17.1956      1.00000
     22     -17.1717      1.00000
     23     -17.0889      1.00000
     24     -17.0683      1.00000
     25     -16.0551      1.00000
     26     -15.8087      1.00000
     27     -15.7991      1.00000
     28     -15.7781      1.00000
     29     -15.1592      1.00000
     30     -14.4859      1.00000
     31     -14.4645      1.00000
     32     -14.2041      1.00000
     33     -13.9177      1.00000
     34     -13.8873      1.00000
     35     -13.7598      1.00000
     36     -13.7393      1.00000
     37     -13.5362      1.00000
     38     -13.5108      1.00000
     39     -13.3020      1.00000
     40     -12.5776      1.00000
     41     -12.1010      1.00000
     42     -12.0776      1.00000
     43     -11.9984      1.00000
     44     -11.9512      1.00000
     45     -11.6068      1.00000
     46     -11.5988      1.00000
     47     -11.0853      1.00000
     48     -11.0610      1.00000
     49     -10.7320      1.00000
     50     -10.6648      1.00000
     51     -10.5607      1.00000
     52     -10.1404      1.00000
     53     -10.1360      1.00000
     54     -10.1010      1.00000
     55      -9.9669      1.00000
     56      -9.9258      1.00000
     57      -9.9219      1.00000
     58      -9.7522      1.00000
     59      -9.7297      1.00000
     60      -9.6980      1.00000
     61      -9.6950      1.00000
     62      -9.4015      1.00000
     63      -9.3891      1.00000
     64      -9.0694      1.00000
     65      -8.9834      1.00000
     66      -8.9819      1.00000
     67      -8.9059      1.00000
     68      -8.8122      1.00000
     69      -8.6504      1.00000
     70      -8.6342      1.00000
     71      -8.5489      1.00000
     72      -8.5019      1.00000
     73      -8.4826      1.00000
     74      -8.3944      1.00000
     75      -8.3831      1.00000
     76      -8.2102      1.00000
     77      -8.1024      1.00000
     78      -8.0072      1.00000
     79      -7.9024      1.00000
     80      -7.8444      1.00000
     81      -7.6220      1.00000
     82      -7.5329      1.00000
     83      -7.4570      1.00000
     84      -7.2534      1.00000
     85      -6.9446      1.00000
     86      -6.8696      1.00000
     87      -6.8109      1.00000
     88      -6.4785      1.00000
     89      -6.4681      1.00000
     90      -6.4095      1.00000
     91      -6.3601      1.00000
     92      -6.1919      1.00000
     93      -5.8583      1.00000
     94      -5.7380      1.00000
     95      -5.7113      1.00000
     96      -5.5242      1.00000
     97      -5.3299      1.00000
     98      -5.1723      1.00000
     99      -5.1679      1.00000
    100      -5.1343      1.00000
    101      -4.6965      1.00000
    102      -4.3487      1.00000
    103      -4.2811      1.00000
    104      -4.0303      1.00000
    105      -3.8313      1.00000
    106      -3.2335      1.00000
    107      -2.4047      0.00000
    108      -1.3455      0.00000
    109      -1.2446      0.00000
    110      -1.1527      0.00000
    111      -1.1084      0.00000
    112      -0.5826      0.00000
    113      -0.5220      0.00000
    114      -0.4341      0.00000
    115      -0.2748      0.00000
    116      -0.0707      0.00000
    117      -0.0110      0.00000
    118       0.0596      0.00000
    119       0.5835      0.00000
    120       0.7108      0.00000
    121       0.8110      0.00000
    122       0.9458      0.00000
    123       1.1849      0.00000
    124       1.5128      0.00000
    125       1.6208      0.00000
    126       1.8645      0.00000
    127       2.0071      0.00000
    128       2.0519      0.00000
    129       2.1170      0.00000
    130       2.1508      0.00000
    131       2.2632      0.00000
    132       2.2862      0.00000
    133       2.3486      0.00000
    134       2.4577      0.00000
    135       2.6106      0.00000
    136       2.7034      0.00000
    137       2.8225      0.00000
    138       2.9148      0.00000
    139       2.9427      0.00000
    140       3.0208      0.00000
    141       3.0529      0.00000
    142       3.1594      0.00000
    143       3.1619      0.00000
    144       3.2300      0.00000
    145       3.3007      0.00000
    146       3.3123      0.00000
    147       3.3545      0.00000
    148       3.3746      0.00000
    149       3.4194      0.00000
    150       3.4511      0.00000
    151       3.5660      0.00000
    152       3.6153      0.00000
    153       3.6996      0.00000
    154       3.7241      0.00000
    155       3.8509      0.00000
    156       3.9094      0.00000
    157       3.9337      0.00000
    158       3.9639      0.00000
    159       4.1525      0.00000
    160       4.1860      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2142      1.00000
      2     -22.0089      1.00000
      3     -21.6469      1.00000
      4     -21.6155      1.00000
      5     -20.9105      1.00000
      6     -20.8696      1.00000
      7     -20.5398      1.00000
      8     -20.5072      1.00000
      9     -20.5003      1.00000
     10     -19.9630      1.00000
     11     -19.4418      1.00000
     12     -19.4192      1.00000
     13     -19.2405      1.00000
     14     -19.2332      1.00000
     15     -18.3768      1.00000
     16     -18.3415      1.00000
     17     -17.8595      1.00000
     18     -17.8431      1.00000
     19     -17.6920      1.00000
     20     -17.6559      1.00000
     21     -17.3729      1.00000
     22     -17.3584      1.00000
     23     -17.2676      1.00000
     24     -16.4140      1.00000
     25     -16.3906      1.00000
     26     -15.9057      1.00000
     27     -15.3438      1.00000
     28     -15.3390      1.00000
     29     -15.0314      1.00000
     30     -15.0218      1.00000
     31     -14.7763      1.00000
     32     -14.7745      1.00000
     33     -14.2389      1.00000
     34     -14.1875      1.00000
     35     -13.3890      1.00000
     36     -13.3338      1.00000
     37     -13.1113      1.00000
     38     -13.1035      1.00000
     39     -12.9188      1.00000
     40     -12.9130      1.00000
     41     -12.5455      1.00000
     42     -12.5380      1.00000
     43     -12.1345      1.00000
     44     -11.5138      1.00000
     45     -11.4694      1.00000
     46     -11.2449      1.00000
     47     -11.2132      1.00000
     48     -11.0876      1.00000
     49     -10.7075      1.00000
     50     -10.5956      1.00000
     51     -10.5101      1.00000
     52     -10.2523      1.00000
     53     -10.2482      1.00000
     54     -10.1224      1.00000
     55     -10.0542      1.00000
     56     -10.0395      1.00000
     57      -9.7855      1.00000
     58      -9.6881      1.00000
     59      -9.6744      1.00000
     60      -9.6383      1.00000
     61      -9.6286      1.00000
     62      -9.5860      1.00000
     63      -9.2963      1.00000
     64      -9.2844      1.00000
     65      -9.2530      1.00000
     66      -9.0662      1.00000
     67      -8.8952      1.00000
     68      -8.8846      1.00000
     69      -8.7188      1.00000
     70      -8.5823      1.00000
     71      -8.5261      1.00000
     72      -8.3513      1.00000
     73      -8.3051      1.00000
     74      -8.2433      1.00000
     75      -8.2389      1.00000
     76      -8.1942      1.00000
     77      -8.1819      1.00000
     78      -8.1698      1.00000
     79      -8.1085      1.00000
     80      -7.6902      1.00000
     81      -7.4189      1.00000
     82      -7.3454      1.00000
     83      -7.2586      1.00000
     84      -7.1699      1.00000
     85      -7.1113      1.00000
     86      -7.0044      1.00000
     87      -6.9043      1.00000
     88      -6.8476      1.00000
     89      -6.5415      1.00000
     90      -6.4998      1.00000
     91      -6.2141      1.00000
     92      -6.2013      1.00000
     93      -5.8948      1.00000
     94      -5.6744      1.00000
     95      -5.6087      1.00000
     96      -5.5807      1.00000
     97      -5.2534      1.00000
     98      -5.2317      1.00000
     99      -5.1652      1.00000
    100      -5.1349      1.00000
    101      -4.6003      1.00000
    102      -4.2509      1.00000
    103      -4.0468      1.00000
    104      -3.8851      1.00000
    105      -3.8431      1.00000
    106      -3.8012      1.00000
    107      -1.8074      0.00000
    108      -1.7803      0.00000
    109      -1.2255      0.00000
    110      -1.1763      0.00000
    111      -0.9737      0.00000
    112      -0.7342      0.00000
    113      -0.6504      0.00000
    114      -0.5939      0.00000
    115      -0.5499      0.00000
    116      -0.1520      0.00000
    117       0.1758      0.00000
    118       0.2878      0.00000
    119       0.7068      0.00000
    120       0.9508      0.00000
    121       1.1693      0.00000
    122       1.2780      0.00000
    123       1.3477      0.00000
    124       1.5141      0.00000
    125       1.6094      0.00000
    126       1.6294      0.00000
    127       1.6926      0.00000
    128       1.7742      0.00000
    129       1.8658      0.00000
    130       2.0779      0.00000
    131       2.1676      0.00000
    132       2.3170      0.00000
    133       2.3970      0.00000
    134       2.4239      0.00000
    135       2.5586      0.00000
    136       2.6265      0.00000
    137       2.6889      0.00000
    138       2.7436      0.00000
    139       2.8157      0.00000
    140       2.9101      0.00000
    141       3.0565      0.00000
    142       3.0630      0.00000
    143       3.1868      0.00000
    144       3.2841      0.00000
    145       3.3824      0.00000
    146       3.4170      0.00000
    147       3.4621      0.00000
    148       3.5487      0.00000
    149       3.5801      0.00000
    150       3.6364      0.00000
    151       3.6668      0.00000
    152       3.7016      0.00000
    153       3.7877      0.00000
    154       3.7990      0.00000
    155       3.8273      0.00000
    156       3.8971      0.00000
    157       3.9101      0.00000
    158       3.9798      0.00000
    159       4.1916      0.00000
    160       4.2350      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0399   -7.2557    3.9841   -1.1323   -0.1859   17.3773    0.4893   -0.8145    0.7716   -0.4767
x    -3.1253   -0.0255   -0.0211   -0.0256    0.0912   -3.0539    0.0299   -0.0244    0.0084    0.0018
x    -0.0954   -0.0028    0.0035   -0.0031    0.0021   -0.0242    0.0000    0.0000   -0.0001    0.0001
x    -0.0035   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0399    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0034    0.0000    0.0004    0.0007    0.0028   -0.0984   -0.0314    0.0620    0.0185
y     0.0230   -3.2429   -0.1792    0.1705   -2.4174   -0.6650
z   204.0399    1.7431    0.2897    0.0895   -0.0013    0.0775   -0.0019    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1048    0.0015   -0.0010   -0.0001    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0013   -0.0001    0.0001    0.0000
z    -0.0001    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  -16.6985
z     0.1382    0.2298   -0.0314    0.0576   -0.0902    0.0006
 total charge-density along one line
x   212.0000  -10.0869    5.9310   -1.9412   -0.4214   19.2964   -0.6599    0.2075    0.0669   -0.1064
x    -2.7053   -0.0092    0.0012   -0.0444    0.0967   -2.3451    0.0473   -0.0344    0.0118    0.0024
x    -0.0855   -0.0054    0.0083   -0.0079    0.0053   -0.0375    0.0000   -0.0001    0.0004   -0.0004
x    -0.0054    0.0000   -0.0002    0.0001    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  -10.0869    5.9310   -1.9412   -0.4214   19.2964   -0.6599    0.2075    0.0669   -0.1064
y    -2.7053   -0.0092    0.0012   -0.0444    0.0967   -2.3451    0.0473   -0.0344    0.0118    0.0024
y    -0.0855   -0.0054    0.0083   -0.0079    0.0053   -0.0375    0.0000   -0.0001    0.0004   -0.0004
y    -0.0054    0.0000   -0.0002    0.0001    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 -205.3068  188.8738 -170.1703  154.0900 -140.4107  126.5054 -111.0236   94.7525  -79.0870
z    64.7207  -51.7860   40.5535  -31.5060   24.7874  -19.8634   15.8638  -12.2155    8.9094   -6.2237
z     4.2928   -2.9602    1.9617   -1.1531    0.5427   -0.1576   -0.0605    0.2212   -0.3838    0.5188
z    -0.5685    0.5250   -0.4411    0.3768   -0.3479    0.3293   -0.2950    0.2451   -0.1976    0.1643
z    -0.1415    0.1197   -0.0959    0.0748   -0.0611    0.0533   -0.0469    0.0391   -0.0314    0.0258
z    -0.0227    0.0203   -0.0173    0.0141   -0.0113    0.0093   -0.0076    0.0058   -0.0043    0.0032
z    -0.0022    0.0013   -0.0004   -0.0002    0.0004   -0.0004    0.0005   -0.0008    0.0009   -0.0007
z     0.0004   -0.0002    0.0001   -0.0001    0.0000    0.0002   -0.0003    0.0003   -0.0004    0.0003
z    -0.0003    0.0003   -0.0002    0.0002   -0.0002    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001
z     0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 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
-10.941   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.269   0.000  -0.101   0.000   0.000   0.239   0.000
  0.041   0.000 -11.245   0.000  -0.024  -0.006   0.000   0.238
  0.000  -0.101   0.000 -11.153   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.938   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.238   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.226   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.199   0.000   0.000   0.000
  0.036   0.000   0.100   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.026   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.941   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.269   0.000  -0.101   0.000   0.000   0.239   0.000
  0.041   0.000 -11.245   0.000  -0.024  -0.006   0.000   0.238
  0.000  -0.101   0.000 -11.153   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.938   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.238   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.226   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.199   0.000   0.000   0.000
  0.036   0.000   0.100   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.026   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.960   0.000  -0.027   0.000   0.002   0.021   0.000   0.057   0.000  -0.014  -0.026   0.025   0.000  -0.001   0.000   0.000
  0.000   1.586   0.000  -0.147   0.000   0.000   0.594   0.000   0.259   0.000   0.000   0.000   0.160   0.000   0.106  -0.035
 -0.027   0.000   1.788   0.000   0.019   0.044   0.000   0.355   0.000  -0.027  -0.233  -0.043   0.000   0.096   0.000   0.000
  0.000  -0.147   0.000   1.755   0.000   0.000   0.259   0.000   0.294   0.000   0.000   0.000   0.108   0.000   0.039   0.005
  0.002   0.000   0.019   0.000   1.966  -0.014   0.000  -0.035   0.000   0.003   0.010  -0.015   0.000   0.003   0.000   0.000
  0.021   0.000   0.044   0.000  -0.014   0.063   0.000   0.101   0.000  -0.024   0.191  -0.052   0.000   0.116   0.000   0.000
  0.000   0.594   0.000   0.259   0.000   0.000   0.329   0.000   0.106   0.000   0.000   0.000   0.057   0.000   0.066  -0.011
  0.057   0.000   0.355   0.000  -0.035   0.101   0.000   0.564   0.000  -0.057   0.702  -0.292   0.000   0.087   0.000   0.000
  0.000   0.259   0.000   0.294   0.000   0.000   0.106   0.000   0.207   0.000   0.000   0.000   0.065   0.000  -0.020  -0.006
 -0.014   0.000  -0.027   0.000   0.003  -0.024   0.000  -0.057   0.000   0.036  -0.109   0.030   0.000  -0.068   0.000   0.000
 -0.026   0.000  -0.233   0.000   0.010   0.191   0.000   0.702   0.000  -0.109   1.351  -0.432   0.000   0.266   0.000   0.000
  0.025   0.000  -0.043   0.000  -0.015  -0.052   0.000  -0.292   0.000   0.030  -0.432   0.192   0.000  -0.034   0.000   0.000
  0.000   0.160   0.000   0.108   0.000   0.000   0.057   0.000   0.065   0.000   0.000   0.000   0.043   0.000   0.012  -0.004
 -0.001   0.000   0.096   0.000   0.003   0.116   0.000   0.087   0.000  -0.068   0.266  -0.034   0.000   0.310   0.000   0.000
  0.000   0.106   0.000   0.039   0.000   0.000   0.066   0.000  -0.020   0.000   0.000   0.000   0.012   0.000   0.031  -0.002
  0.000  -0.035   0.000   0.005   0.000   0.000  -0.011   0.000  -0.006   0.000   0.000   0.000  -0.004   0.000  -0.002   0.001
  0.002   0.000  -0.036   0.000  -0.001  -0.005   0.000  -0.009   0.000   0.003  -0.006   0.000   0.000  -0.014   0.000   0.000
  0.000   0.005   0.000  -0.041   0.000   0.000  -0.006   0.000  -0.004   0.000   0.000   0.000  -0.002   0.000  -0.002   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        0.639   0.277   8.026   8.942
  2        0.514   0.028   0.000   0.542
  3        0.514   0.028   0.000   0.542
  4        0.864   1.783   0.000   2.647
  5        0.864   1.783   0.000   2.646
  6        0.864   1.782   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   1.783   0.000   2.647
 10        0.864   1.784   0.000   2.647
 11        0.863   1.783   0.000   2.646
 12        0.864   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.646
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.863   1.777   0.000   2.640
 17        0.856   1.773   0.000   2.629
 18        0.864   1.784   0.000   2.648
 19        0.864   1.782   0.000   2.646
 20        0.864   1.782   0.000   2.646
 21        0.863   1.781   0.000   2.644
 22        0.863   1.776   0.000   2.639
 23        0.863   1.783   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   1.783   0.000   2.647
 29        0.864   1.783   0.000   2.647
 30        0.864   1.783   0.000   2.647
 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   1.782   0.000   2.646
 35        0.863   1.783   0.000   2.646
 36        0.863   1.776   0.000   2.639
 37        0.863   1.781   0.000   2.644
 38        0.864   1.782   0.000   2.646
 39        0.864   1.784   0.000   2.648
 40        0.864   1.784   0.000   2.648
 41        0.856   1.773   0.000   2.629
 42        0.863   1.777   0.000   2.640
 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   2.646
 46        0.864   1.785   0.000   2.648
 47        0.863   1.783   0.000   2.646
 48        0.864   1.784   0.000   2.647
 49        0.864   1.783   0.000   2.647
 50        0.864   1.783   0.000   2.647
 51        0.864   1.784   0.000   2.648
 52        0.864   1.782   0.000   2.646
 53        0.864   1.783   0.000   2.646
------------------------------------------------
tot       44.832  89.436   8.026 142.295
 


 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   45.68
    FORLOC:  VPU time    1.09: CPU time    1.10
    FORNL :  VPU time  363.83: CPU time  182.24
    STRESS:  VPU time 1094.12: CPU time  549.87
    FORCOR:  VPU time    7.43: CPU time    7.43
    FORHAR:  VPU time    1.97: CPU time    1.97
    MIXING:  VPU time    0.13: CPU time    0.13
 d Force = 0.3144568E-04[ 0.680E-05, 0.561E-04]  d Energy = 0.3370779E-04-0.226E-05
 d Force = 0.6464722E+00[ 0.646E+00, 0.646E+00]  d Ewald  =-0.1300615E+01 0.195E+01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.644786 eV

  energy  without entropy=     -471.644786  energy(sigma->0) =     -471.644786
 

  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    40731.21  40747.63 -47432.58     14.22      0.00      0.00
  Hartree  40197.14  40200.89 -39451.56      3.25      0.00      0.00
  E(xc)     -779.74   -779.55   -807.26      0.17      0.00      0.00
  Local   -83221.56 -83235.65  84201.59    -12.20      0.00      0.00
  n-local   -215.79   -215.69   -203.81     -0.16      0.00      0.00
  augment     22.10     20.54     17.35     -1.35      0.00      0.00
  Kinetic   3168.72   3171.48   3582.21     -6.08      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.22     -0.20     -0.13      0.02      0.00      0.00
  in kB       -0.13     -0.12     -0.08      0.01      0.00      0.00
  external pressure =       -0.11 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
    12.347561816  0.001602875  0.000000000     0.080981581  0.046740790  0.000000000
    -6.172399420 10.694099697  0.000000000    -0.000012138  0.093502502  0.000000000
     0.000000000  0.000000000 19.976849206     0.000000000  0.000000000  0.050057944

  length of vectors
    12.347561920 12.347561821 19.976849206     0.093502502  0.093502503  0.050057944


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.410E-05 -.457E-04 -.960E+03   0.434E-05 -.275E-04 0.968E+03   -.170E-20 -.928E-23 -.788E+01   -.346E-07 0.159E-07 0.891E-02
   -.175E+02 -.304E+02 -.136E+03   0.184E+02 0.318E+02 0.139E+03   -.828E+00 -.143E+01 -.258E+01   -.311E-03 -.540E-03 -.406E-03
   0.175E+02 0.304E+02 -.136E+03   -.184E+02 -.318E+02 0.139E+03   0.828E+00 0.143E+01 -.258E+01   0.311E-03 0.540E-03 -.406E-03
   -.197E+01 0.114E+01 0.169E+02   0.198E+01 -.114E+01 -.169E+02   -.103E-01 0.597E-02 -.710E-02   0.134E-03 -.805E-04 0.361E-02
   0.582E+01 0.687E+01 0.196E+02   -.582E+01 -.690E+01 -.196E+02   0.543E-02 0.348E-01 -.203E-01   -.163E-02 0.289E-02 0.356E-02
   0.112E+02 0.506E+01 0.183E+02   -.113E+02 -.506E+01 -.183E+02   0.271E-01 0.990E-02 -.554E-01   0.811E-03 -.897E-03 0.985E-03
   0.453E+01 -.101E+01 0.164E+02   -.455E+01 0.103E+01 -.164E+02   0.205E-01 -.180E-01 -.246E-02   0.340E-03 -.121E-02 -.823E-04
   -.293E+01 -.242E+01 0.149E+02   0.294E+01 0.243E+01 -.149E+02   -.152E-01 -.149E-01 -.211E-02   -.441E-04 0.115E-02 0.194E-02
   0.628E+00 0.374E+01 0.149E+02   -.634E+00 -.376E+01 -.149E+02   0.530E-02 0.206E-01 -.211E-02   -.102E-02 -.542E-03 0.194E-02
   0.274E+01 0.182E+02 0.246E+02   -.275E+01 -.184E+02 -.246E+02   0.686E-02 0.108E+00 -.920E-02   -.300E-03 -.333E-02 0.128E-02
   0.215E+02 0.226E+02 0.399E+02   -.216E+02 -.228E+02 -.399E+02   0.115E+00 0.231E+00 -.158E-01   -.606E-04 0.401E-02 -.200E-02
   0.265E+02 -.452E+01 0.270E+02   -.268E+02 0.464E+01 -.270E+02   0.237E+00 -.118E+00 -.566E-01   -.379E-03 0.175E-02 -.175E-02
   0.920E+01 -.531E+01 0.155E+02   -.922E+01 0.532E+01 -.155E+02   0.159E-01 -.919E-02 0.105E-02   -.309E-02 0.178E-02 0.782E-03
   0.314E+01 -.341E+01 0.164E+02   -.316E+01 0.342E+01 -.164E+02   0.258E-01 -.873E-02 -.246E-02   0.121E-02 0.306E-03 -.907E-04
   -.606E+01 0.132E+02 0.201E+02   0.606E+01 -.133E+02 -.201E+02   -.460E-02 0.732E-01 -.861E-02   0.109E-02 -.126E-02 -.108E-02
   -.123E+02 0.335E+02 0.461E+02   0.123E+02 -.342E+02 -.465E+02   -.951E-01 0.681E+00 0.350E+00   -.247E-02 -.585E-03 -.128E-02
   0.265E+02 -.153E+02 0.696E+02   -.275E+02 0.159E+02 -.718E+02   0.971E+00 -.560E+00 0.210E+01   -.244E-02 0.141E-02 0.270E-02
   0.172E+02 -.207E+02 0.270E+02   -.174E+02 0.209E+02 -.270E+02   0.220E+00 -.146E+00 -.566E-01   -.171E-02 -.554E-03 -.176E-02
   0.124E+01 -.123E+02 0.183E+02   -.125E+01 0.123E+02 -.183E+02   0.497E-02 -.284E-01 -.554E-01   0.119E-02 -.255E-03 0.979E-03
   -.388E+01 0.154E+01 0.144E+02   0.388E+01 -.154E+01 -.143E+02   -.732E-02 0.340E-02 -.405E-01   0.455E-03 0.170E-02 0.967E-03
   -.182E+02 0.105E+02 0.211E+02   0.182E+02 -.105E+02 -.210E+02   -.655E-01 0.378E-01 -.126E+00   -.239E-02 0.138E-02 -.243E-03
   -.352E+02 -.614E+01 0.461E+02   0.358E+02 0.640E+01 -.465E+02   -.637E+00 -.258E+00 0.350E+00   -.725E-03 0.243E-02 -.127E-02
   -.883E+01 -.299E+02 0.399E+02   0.897E+01 0.301E+02 -.399E+02   -.142E+00 -.215E+00 -.158E-01   -.350E-02 -.196E-02 -.201E-02
   -.304E+01 -.847E+01 0.196E+02   0.306E+01 0.849E+01 -.196E+02   -.274E-01 -.221E-01 -.203E-01   -.332E-02 -.341E-04 0.356E-02
   0.128E+01 -.737E+00 0.146E+02   -.128E+01 0.736E+00 -.146E+02   -.244E-02 0.141E-02 -.316E-01   -.971E-03 0.563E-03 0.274E-02
   -.327E+01 0.259E+01 0.144E+02   0.327E+01 -.259E+01 -.143E+02   -.661E-02 0.463E-02 -.405E-01   -.125E-02 -.124E-02 0.971E-03
   -.145E+02 -.135E+01 0.201E+02   0.145E+02 0.139E+01 -.201E+02   -.657E-01 -.326E-01 -.861E-02   0.164E-02 -.319E-03 -.108E-02
   -.144E+02 -.115E+02 0.246E+02   0.145E+02 0.116E+02 -.246E+02   -.899E-01 -.598E-01 -.920E-02   0.274E-02 0.192E-02 0.129E-02
   0.304E+01 0.847E+01 0.196E+02   -.306E+01 -.849E+01 -.196E+02   0.274E-01 0.221E-01 -.203E-01   0.332E-02 0.341E-04 0.356E-02
   0.144E+02 0.115E+02 0.246E+02   -.145E+02 -.116E+02 -.246E+02   0.899E-01 0.598E-01 -.920E-02   -.274E-02 -.192E-02 0.129E-02
   0.145E+02 0.135E+01 0.201E+02   -.145E+02 -.139E+01 -.201E+02   0.657E-01 0.326E-01 -.861E-02   -.164E-02 0.319E-03 -.108E-02
   0.327E+01 -.259E+01 0.144E+02   -.327E+01 0.259E+01 -.143E+02   0.661E-02 -.463E-02 -.405E-01   0.125E-02 0.124E-02 0.971E-03
   -.128E+01 0.737E+00 0.146E+02   0.128E+01 -.736E+00 -.146E+02   0.244E-02 -.141E-02 -.316E-01   0.971E-03 -.563E-03 0.274E-02
   -.124E+01 0.123E+02 0.183E+02   0.125E+01 -.123E+02 -.183E+02   -.497E-02 0.284E-01 -.554E-01   -.119E-02 0.255E-03 0.979E-03
   0.883E+01 0.299E+02 0.399E+02   -.897E+01 -.301E+02 -.399E+02   0.142E+00 0.215E+00 -.158E-01   0.350E-02 0.196E-02 -.201E-02
   0.352E+02 0.614E+01 0.461E+02   -.358E+02 -.640E+01 -.465E+02   0.637E+00 0.258E+00 0.350E+00   0.725E-03 -.243E-02 -.127E-02
   0.182E+02 -.105E+02 0.211E+02   -.182E+02 0.105E+02 -.210E+02   0.655E-01 -.378E-01 -.126E+00   0.239E-02 -.138E-02 -.243E-03
   0.388E+01 -.154E+01 0.144E+02   -.388E+01 0.154E+01 -.143E+02   0.732E-02 -.340E-02 -.405E-01   -.455E-03 -.170E-02 0.967E-03
   -.314E+01 0.341E+01 0.164E+02   0.316E+01 -.342E+01 -.164E+02   -.258E-01 0.873E-02 -.246E-02   -.121E-02 -.306E-03 -.907E-04
   -.172E+02 0.207E+02 0.270E+02   0.174E+02 -.209E+02 -.270E+02   -.220E+00 0.146E+00 -.566E-01   0.171E-02 0.554E-03 -.176E-02
   -.265E+02 0.153E+02 0.696E+02   0.275E+02 -.159E+02 -.718E+02   -.971E+00 0.560E+00 0.210E+01   0.244E-02 -.141E-02 0.270E-02
   0.123E+02 -.335E+02 0.461E+02   -.123E+02 0.342E+02 -.465E+02   0.951E-01 -.681E+00 0.350E+00   0.247E-02 0.585E-03 -.128E-02
   0.606E+01 -.132E+02 0.201E+02   -.606E+01 0.133E+02 -.201E+02   0.460E-02 -.732E-01 -.861E-02   -.109E-02 0.126E-02 -.108E-02
   -.628E+00 -.374E+01 0.149E+02   0.634E+00 0.376E+01 -.149E+02   -.530E-02 -.206E-01 -.211E-02   0.102E-02 0.542E-03 0.194E-02
   -.920E+01 0.531E+01 0.155E+02   0.922E+01 -.532E+01 -.155E+02   -.159E-01 0.919E-02 0.105E-02   0.309E-02 -.178E-02 0.782E-03
   -.265E+02 0.452E+01 0.270E+02   0.268E+02 -.464E+01 -.270E+02   -.237E+00 0.118E+00 -.566E-01   0.379E-03 -.175E-02 -.175E-02
   -.215E+02 -.226E+02 0.399E+02   0.216E+02 0.228E+02 -.399E+02   -.115E+00 -.231E+00 -.158E-01   0.606E-04 -.401E-02 -.200E-02
   -.274E+01 -.182E+02 0.246E+02   0.275E+01 0.184E+02 -.246E+02   -.686E-02 -.108E+00 -.920E-02   0.300E-03 0.333E-02 0.128E-02
   0.197E+01 -.114E+01 0.169E+02   -.198E+01 0.114E+01 -.169E+02   0.103E-01 -.597E-02 -.710E-02   -.134E-03 0.805E-04 0.361E-02
   0.293E+01 0.242E+01 0.149E+02   -.294E+01 -.243E+01 -.149E+02   0.152E-01 0.149E-01 -.211E-02   0.441E-04 -.115E-02 0.194E-02
   -.453E+01 0.101E+01 0.164E+02   0.455E+01 -.103E+01 -.164E+02   -.205E-01 0.180E-01 -.246E-02   -.340E-03 0.121E-02 -.823E-04
   -.112E+02 -.506E+01 0.183E+02   0.113E+02 0.506E+01 -.183E+02   -.271E-01 -.990E-02 -.554E-01   -.811E-03 0.897E-03 0.985E-03
   -.582E+01 -.687E+01 0.196E+02   0.582E+01 0.690E+01 -.196E+02   -.543E-02 -.348E-01 -.203E-01   0.163E-02 -.289E-02 0.356E-02
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.305E-03 0.855E+01   0.116E-12 0.746E-13 -.330E-12   0.500E-15 -.139E-16 -.861E+01   -.692E-07 0.498E-07 0.374E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85292      6.06068     12.33301         0.000000      0.000000      0.012144
      2.26036      6.76639     13.65241         0.003866      0.006696      0.007704
      1.44548      5.35498     13.65241        -0.003866     -0.006696      0.007704
      0.00058     -0.00033      9.95777        -0.002361      0.001363     -0.004136
     11.11231      2.13918      9.95956        -0.002722      0.005862     -0.004125
      9.87670      4.27876      9.97116         0.004227      0.001656     -0.001019
      8.64340      6.41812      9.97012         0.001359     -0.001741      0.000345
     -4.93629      8.55535      9.96591        -0.000097      0.001826     -0.002164
      2.47026     -0.00113      9.96591        -0.001630     -0.000828     -0.002164
      1.23476      2.13610      9.97084        -0.004351     -0.006166     -0.001225
     -0.00397      4.27470      9.99904        -0.003070      0.008418      0.003220
     -1.23848      6.41585     10.00498        -0.000157      0.004506      0.002208
     -2.46710      8.55485      9.97838        -0.005344      0.003085     -0.001130
      4.93861      0.00124      9.97012         0.002187     -0.000306      0.000345
      3.70487      2.13646      9.97800         0.001627     -0.004188      0.001749
      2.47082      4.26298     10.04260        -0.008503      0.000633      0.001425
      1.22845      6.42122     10.11459        -0.009400      0.005427     -0.004833
     -0.00036      8.56034     10.00498        -0.003981     -0.002117      0.002208
      7.40800      0.00285      9.97116         0.000679     -0.004489     -0.001019
      6.17348      2.13997      9.97125        -0.001471      0.002937     -0.000963
      4.94046      4.27809      9.99924        -0.005104      0.002947      0.000462
      3.71873      6.42442     10.04260        -0.004800      0.007047      0.001425
      2.47118      8.56179      9.99904        -0.008825     -0.001550      0.003220
      9.87874      0.00257      9.95956        -0.006438     -0.000574     -0.004125
      8.64279      2.14055      9.96239        -0.002138      0.001234     -0.003040
      7.40864      4.27933      9.97125        -0.003279     -0.000195     -0.000963
      6.17737      6.41896      9.97800         0.004440      0.000684      0.001749
      4.94263      8.55832      9.97084         0.003164      0.006851     -0.001225
     -0.00051      1.42470      9.95956         0.006438      0.000574     -0.004125
     -1.23680      3.56305      9.97084        -0.003164     -0.006851     -0.001225
     -2.47154      5.70241      9.97800        -0.004440     -0.000684      0.001749
     -3.70280      7.84204      9.97125         0.003279      0.000195     -0.000963
     -4.93695      9.98081      9.96239         0.002138     -0.001234     -0.003040
      2.47023      1.42442      9.97116        -0.000679      0.004489     -0.001019
      1.23466      3.55958      9.99904         0.008825      0.001550      0.003220
     -0.01290      5.69695     10.04260         0.004800     -0.007047      0.001425
     -1.23462      7.84328      9.99924         0.005104     -0.002947      0.000462
     -2.46764      9.98140      9.97125         0.001471     -0.002937     -0.000963
      4.93962      1.42603      9.97012        -0.002187      0.000306      0.000345
      3.70620      3.56103     10.00498         0.003981      0.002117      0.002208
      2.47738      5.70015     10.11459         0.009400     -0.005427     -0.004833
      1.23501      7.85839     10.04260         0.008503     -0.000633      0.001425
      0.00096      9.98491      9.97800        -0.001627      0.004188      0.001749
      7.40797      1.42840      9.96591         0.001630      0.000828     -0.002164
      6.17293      3.56652      9.97838         0.005344     -0.003085     -0.001130
      4.94432      5.70552     10.00498         0.000157     -0.004506      0.002208
      3.70981      7.84667      9.99904         0.003070     -0.008418      0.003220
      2.47107      9.98527      9.97084         0.004351      0.006166     -0.001225
      9.87766      1.42760      9.95777         0.002361     -0.001363     -0.004136
      8.64212      3.56601      9.96591         0.000097     -0.001826     -0.002164
      7.41000      5.70485      9.97012        -0.001359      0.001741      0.000345
      6.17670      7.84421      9.97116        -0.004227     -0.001656     -0.001019
      4.94108      9.98379      9.95956         0.002722     -0.005862     -0.004125
 -----------------------------------------------------------------------------------
    total drift:                               -0.001813      0.000305     -0.024051


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


 Conjugate gradient step on ions:
 trial-energy change:   -0.000034  1 .order   -0.000033   -0.000057   -0.000009
  (g-gl).g = 0.500E-04      g.g   = 0.747E-04  gl.gl    = 0.155E-02
 g(Force)  = 0.714E-04   g(Stress)= 0.328E-05 ortho     = 0.129E-04
 gamma     =   0.03238
 trial     =   0.76396
 opt step  =   0.89829  (harmonic =   0.89829) maximal distance =0.00058255
 next E    =  -471.644786   (d E  =  -0.00003)


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


    WAVPRE:  VPU time    1.67: CPU time    1.68
    FEWALD:  VPU time    0.02: CPU time    0.01
    GENKIN:  VPU time    1.19: CPU time    1.19
    ORTHCH:  VPU time  151.26: CPU time   76.34
     LOOP+:  VPU time 4394.35: CPU time 2242.93


----------------------------------------- Iteration   15(   1)  ---------------------------------------


    POTLOK:  VPU time    7.84: CPU time    7.75
    SETDIJ:  VPU time    0.28: CPU time    0.29
    EDDAV :  VPU time 1183.63: CPU time  603.61
 BZINTS: Fermi energy: -3.151968;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   90.47: CPU time   45.61
    MIXING:  VPU time    0.12: CPU time    0.12
    ------------------------------------------
      LOOP:  VPU time 1282.40: CPU time  657.41

 eigenvalue-minimisations  :  4416
 total energy-change (2. order) :-0.4716448E+03  (-0.1331644E-04)
 number of electron  212.0000029 magnetization    0.0000000
 augmentation part     7.9602462 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.52437E-03    rms(broyden)= 0.52424E-03
  rms(prec ) = 0.55766E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34046.51493953
  -1/2 Hartree   DENC   =    -40946.52573824
  -V(xc)+E(xc)   XCENC  =       726.60984572
  PAW double counting   =      4092.90697886    -4131.29051106
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.30015516
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64478675 eV

  energy without entropy =     -471.64478675  energy(sigma->0) =     -471.64478675


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




----------------------------------------- Iteration   15(   2)  ---------------------------------------


    POTLOK:  VPU time    7.74: CPU time    7.74
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1121.27: CPU time  572.92
 BZINTS: Fermi energy: -3.152116;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1129.33: CPU time  580.98

 eigenvalue-minimisations  :  4080
 total energy-change (2. order) :-0.2081833E-06  (-0.8509052E-06)
 number of electron  212.0000029 magnetization    0.0000000
 augmentation part     7.9602462 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34046.51493953
  -1/2 Hartree   DENC   =    -40946.54592347
  -V(xc)+E(xc)   XCENC  =       726.61055167
  PAW double counting   =      4092.91023222    -4131.29340516
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.28103535
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64478696 eV

  energy without entropy =     -471.64478696  energy(sigma->0) =     -471.64478696


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




 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 -58.5408       2 -39.9827       3 -39.9827       4 -58.2442       5 -58.2486
       6 -58.2560       7 -58.2468       8 -58.2451       9 -58.2451      10 -58.2608
      11 -58.3157      12 -58.2927      13 -58.2501      14 -58.2468      15 -58.2579
      16 -58.4383      17 -58.7324      18 -58.2927      19 -58.2560      20 -58.2505
      21 -58.2777      22 -58.4383      23 -58.3157      24 -58.2486      25 -58.2439
      26 -58.2505      27 -58.2579      28 -58.2608      29 -58.2485      30 -58.2607
      31 -58.2577      32 -58.2504      33 -58.2438      34 -58.2559      35 -58.3156
      36 -58.4382      37 -58.2776      38 -58.2504      39 -58.2467      40 -58.2926
      41 -58.7323      42 -58.4382      43 -58.2577      44 -58.2450      45 -58.2500
      46 -58.2926      47 -58.3156      48 -58.2607      49 -58.2441      50 -58.2450
      51 -58.2467      52 -58.2560      53 -58.2485
 
 
 
 E-fermi :  -3.1521     XC(G=0):  -2.3392     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     -22.3566      1.00000
      2     -21.5371      1.00000
      3     -21.4071      1.00000
      4     -21.4061      1.00000
      5     -21.3749      1.00000
      6     -21.3658      1.00000
      7     -21.3584      1.00000
      8     -19.6468      1.00000
      9     -19.5720      1.00000
     10     -19.5650      1.00000
     11     -19.5584      1.00000
     12     -19.5406      1.00000
     13     -19.5377      1.00000
     14     -18.7286      1.00000
     15     -18.6796      1.00000
     16     -18.6722      1.00000
     17     -18.6584      1.00000
     18     -18.6431      1.00000
     19     -18.6418      1.00000
     20     -16.5863      1.00000
     21     -16.5260      1.00000
     22     -16.5237      1.00000
     23     -16.5116      1.00000
     24     -16.4870      1.00000
     25     -16.4854      1.00000
     26     -15.5599      1.00000
     27     -15.5265      1.00000
     28     -15.5257      1.00000
     29     -15.4991      1.00000
     30     -15.4948      1.00000
     31     -15.4884      1.00000
     32     -14.2069      1.00000
     33     -14.1800      1.00000
     34     -14.1676      1.00000
     35     -14.1649      1.00000
     36     -14.1598      1.00000
     37     -14.1490      1.00000
     38     -11.8851      1.00000
     39     -11.8089      1.00000
     40     -11.7921      1.00000
     41     -11.7915      1.00000
     42     -11.7885      1.00000
     43     -11.7822      1.00000
     44     -11.7046      1.00000
     45     -11.6984      1.00000
     46     -11.6728      1.00000
     47     -11.6578      1.00000
     48     -11.6577      1.00000
     49     -11.6508      1.00000
     50     -10.6748      1.00000
     51     -10.3293      1.00000
     52     -10.3209      1.00000
     53     -10.3054      1.00000
     54     -10.3048      1.00000
     55     -10.2909      1.00000
     56     -10.2778      1.00000
     57      -9.9285      1.00000
     58      -9.3730      1.00000
     59      -9.3594      1.00000
     60      -9.3002      1.00000
     61      -9.2919      1.00000
     62      -9.2851      1.00000
     63      -9.0936      1.00000
     64      -9.0538      1.00000
     65      -9.0498      1.00000
     66      -9.0259      1.00000
     67      -9.0076      1.00000
     68      -9.0021      1.00000
     69      -9.0011      1.00000
     70      -8.9946      1.00000
     71      -8.9923      1.00000
     72      -8.9712      1.00000
     73      -8.9641      1.00000
     74      -8.9548      1.00000
     75      -8.4995      1.00000
     76      -7.5150      1.00000
     77      -7.4116      1.00000
     78      -7.4096      1.00000
     79      -7.4007      1.00000
     80      -7.3833      1.00000
     81      -7.3646      1.00000
     82      -7.3404      1.00000
     83      -7.3094      1.00000
     84      -7.2694      1.00000
     85      -7.2064      1.00000
     86      -7.1803      1.00000
     87      -7.1801      1.00000
     88      -7.0750      1.00000
     89      -6.5091      1.00000
     90      -6.4617      1.00000
     91      -6.3554      1.00000
     92      -6.2932      1.00000
     93      -6.2879      1.00000
     94      -6.2863      1.00000
     95      -5.8981      1.00000
     96      -5.8839      1.00000
     97      -5.0492      1.00000
     98      -4.9379      1.00000
     99      -4.5397      1.00000
    100      -4.3414      1.00000
    101      -4.3181      1.00000
    102      -4.3174      1.00000
    103      -4.1153      1.00000
    104      -3.9129      1.00000
    105      -3.9007      1.00000
    106      -3.8347      1.00000
    107      -1.6821      0.00000
    108      -1.6690      0.00000
    109      -1.5357      0.00000
    110      -1.5352      0.00000
    111      -1.5223      0.00000
    112      -1.5085      0.00000
    113      -0.5855      0.00000
    114       0.1334      0.00000
    115       0.2069      0.00000
    116       0.3246      0.00000
    117       0.3267      0.00000
    118       0.3338      0.00000
    119       0.4963      0.00000
    120       0.5968      0.00000
    121       1.2591      0.00000
    122       1.2746      0.00000
    123       1.5303      0.00000
    124       1.7978      0.00000
    125       1.8045      0.00000
    126       1.8076      0.00000
    127       1.8127      0.00000
    128       1.9459      0.00000
    129       1.9809      0.00000
    130       2.0320      0.00000
    131       2.0460      0.00000
    132       2.0512      0.00000
    133       2.0550      0.00000
    134       2.0607      0.00000
    135       2.3082      0.00000
    136       2.3267      0.00000
    137       2.6157      0.00000
    138       2.6226      0.00000
    139       2.6525      0.00000
    140       2.7332      0.00000
    141       2.8630      0.00000
    142       3.0285      0.00000
    143       3.0535      0.00000
    144       3.0941      0.00000
    145       3.1018      0.00000
    146       3.1065      0.00000
    147       3.1103      0.00000
    148       3.2379      0.00000
    149       3.4539      0.00000
    150       3.5411      0.00000
    151       3.7901      0.00000
    152       3.9478      0.00000
    153       3.9586      0.00000
    154       3.9645      0.00000
    155       3.9727      0.00000
    156       3.9991      0.00000
    157       4.1840      0.00000
    158       4.2693      0.00000
    159       4.2885      0.00000
    160       4.2893      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3200      1.00000
      2     -21.7615      1.00000
      3     -21.5707      1.00000
      4     -21.5379      1.00000
      5     -21.2079      1.00000
      6     -21.1629      1.00000
      7     -20.9872      1.00000
      8     -20.1019      1.00000
      9     -20.0576      1.00000
     10     -19.5465      1.00000
     11     -19.5217      1.00000
     12     -19.3492      1.00000
     13     -19.0250      1.00000
     14     -18.9896      1.00000
     15     -18.9812      1.00000
     16     -18.9692      1.00000
     17     -18.2974      1.00000
     18     -18.2781      1.00000
     19     -17.9521      1.00000
     20     -17.0098      1.00000
     21     -16.9597      1.00000
     22     -16.8786      1.00000
     23     -16.8686      1.00000
     24     -16.4050      1.00000
     25     -16.3899      1.00000
     26     -15.5526      1.00000
     27     -15.5357      1.00000
     28     -15.1980      1.00000
     29     -15.1691      1.00000
     30     -15.1146      1.00000
     31     -15.0278      1.00000
     32     -15.0025      1.00000
     33     -14.6364      1.00000
     34     -14.6245      1.00000
     35     -13.6676      1.00000
     36     -13.6521      1.00000
     37     -13.1695      1.00000
     38     -12.5514      1.00000
     39     -12.5172      1.00000
     40     -12.3911      1.00000
     41     -12.3779      1.00000
     42     -12.0576      1.00000
     43     -12.0346      1.00000
     44     -11.6596      1.00000
     45     -11.6174      1.00000
     46     -11.1811      1.00000
     47     -11.1564      1.00000
     48     -10.9653      1.00000
     49     -10.9406      1.00000
     50     -10.8742      1.00000
     51     -10.8373      1.00000
     52     -10.6033      1.00000
     53     -10.0938      1.00000
     54     -10.0884      1.00000
     55     -10.0467      1.00000
     56      -9.9706      1.00000
     57      -9.6549      1.00000
     58      -9.6289      1.00000
     59      -9.5923      1.00000
     60      -9.5294      1.00000
     61      -9.5113      1.00000
     62      -9.4791      1.00000
     63      -9.2646      1.00000
     64      -9.2410      1.00000
     65      -9.2210      1.00000
     66      -9.1665      1.00000
     67      -9.0685      1.00000
     68      -9.0467      1.00000
     69      -9.0409      1.00000
     70      -8.8828      1.00000
     71      -8.8066      1.00000
     72      -8.5783      1.00000
     73      -8.5228      1.00000
     74      -8.4608      1.00000
     75      -8.0349      1.00000
     76      -7.8118      1.00000
     77      -7.8072      1.00000
     78      -7.7929      1.00000
     79      -7.7004      1.00000
     80      -7.6904      1.00000
     81      -7.3639      1.00000
     82      -7.2733      1.00000
     83      -7.2648      1.00000
     84      -7.2157      1.00000
     85      -7.1728      1.00000
     86      -7.0088      1.00000
     87      -6.9477      1.00000
     88      -6.7473      1.00000
     89      -6.6725      1.00000
     90      -6.5940      1.00000
     91      -6.5593      1.00000
     92      -6.0504      1.00000
     93      -6.0474      1.00000
     94      -6.0220      1.00000
     95      -5.9590      1.00000
     96      -5.7367      1.00000
     97      -5.1570      1.00000
     98      -4.9904      1.00000
     99      -4.7190      1.00000
    100      -4.6112      1.00000
    101      -4.4404      1.00000
    102      -4.3742      1.00000
    103      -4.1225      1.00000
    104      -3.8683      1.00000
    105      -3.8345      1.00000
    106      -3.7902      1.00000
    107      -1.7857      0.00000
    108      -1.7387      0.00000
    109      -1.3945      0.00000
    110      -1.3465      0.00000
    111      -1.2639      0.00000
    112      -1.2253      0.00000
    113      -0.7451      0.00000
    114      -0.3788      0.00000
    115      -0.2207      0.00000
    116      -0.0182      0.00000
    117       0.5909      0.00000
    118       0.7368      0.00000
    119       0.7642      0.00000
    120       1.0497      0.00000
    121       1.1419      0.00000
    122       1.2506      0.00000
    123       1.2723      0.00000
    124       1.4149      0.00000
    125       1.4805      0.00000
    126       1.5885      0.00000
    127       1.7589      0.00000
    128       1.8418      0.00000
    129       1.8974      0.00000
    130       1.9594      0.00000
    131       2.1079      0.00000
    132       2.2376      0.00000
    133       2.2508      0.00000
    134       2.2990      0.00000
    135       2.4910      0.00000
    136       2.6190      0.00000
    137       2.6415      0.00000
    138       2.7693      0.00000
    139       2.8065      0.00000
    140       2.8594      0.00000
    141       2.8694      0.00000
    142       2.8937      0.00000
    143       2.9607      0.00000
    144       3.0863      0.00000
    145       3.2839      0.00000
    146       3.3121      0.00000
    147       3.3798      0.00000
    148       3.4110      0.00000
    149       3.4712      0.00000
    150       3.5948      0.00000
    151       3.6422      0.00000
    152       3.6743      0.00000
    153       3.7127      0.00000
    154       3.9115      0.00000
    155       3.9457      0.00000
    156       3.9846      0.00000
    157       4.0881      0.00000
    158       4.2088      0.00000
    159       4.2510      0.00000
    160       4.3005      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2144      1.00000
      2     -22.0080      1.00000
      3     -21.6494      1.00000
      4     -21.6123      1.00000
      5     -20.9132      1.00000
      6     -20.8667      1.00000
      7     -20.5459      1.00000
      8     -20.5064      1.00000
      9     -20.4960      1.00000
     10     -19.9637      1.00000
     11     -19.4427      1.00000
     12     -19.4154      1.00000
     13     -19.2417      1.00000
     14     -19.2273      1.00000
     15     -18.3843      1.00000
     16     -18.3400      1.00000
     17     -17.8602      1.00000
     18     -17.8391      1.00000
     19     -17.6980      1.00000
     20     -17.6553      1.00000
     21     -17.3722      1.00000
     22     -17.3561      1.00000
     23     -17.2745      1.00000
     24     -16.4014      1.00000
     25     -16.3865      1.00000
     26     -15.8964      1.00000
     27     -15.3532      1.00000
     28     -15.3371      1.00000
     29     -15.0352      1.00000
     30     -15.0209      1.00000
     31     -14.7998      1.00000
     32     -14.7750      1.00000
     33     -14.2221      1.00000
     34     -14.1895      1.00000
     35     -13.3712      1.00000
     36     -13.3369      1.00000
     37     -13.1202      1.00000
     38     -13.1026      1.00000
     39     -12.9164      1.00000
     40     -12.9028      1.00000
     41     -12.5570      1.00000
     42     -12.5390      1.00000
     43     -12.1331      1.00000
     44     -11.5225      1.00000
     45     -11.4743      1.00000
     46     -11.2542      1.00000
     47     -11.2201      1.00000
     48     -11.0794      1.00000
     49     -10.6601      1.00000
     50     -10.5888      1.00000
     51     -10.5242      1.00000
     52     -10.2575      1.00000
     53     -10.2494      1.00000
     54     -10.1231      1.00000
     55     -10.0485      1.00000
     56     -10.0416      1.00000
     57      -9.7702      1.00000
     58      -9.7049      1.00000
     59      -9.6803      1.00000
     60      -9.6308      1.00000
     61      -9.6260      1.00000
     62      -9.5879      1.00000
     63      -9.2947      1.00000
     64      -9.2852      1.00000
     65      -9.2536      1.00000
     66      -9.0889      1.00000
     67      -8.8968      1.00000
     68      -8.8839      1.00000
     69      -8.7249      1.00000
     70      -8.5896      1.00000
     71      -8.5145      1.00000
     72      -8.3310      1.00000
     73      -8.3029      1.00000
     74      -8.2648      1.00000
     75      -8.2334      1.00000
     76      -8.1947      1.00000
     77      -8.1865      1.00000
     78      -8.1709      1.00000
     79      -8.1018      1.00000
     80      -7.6887      1.00000
     81      -7.3567      1.00000
     82      -7.3105      1.00000
     83      -7.2639      1.00000
     84      -7.1874      1.00000
     85      -7.1253      1.00000
     86      -7.0771      1.00000
     87      -6.9071      1.00000
     88      -6.8825      1.00000
     89      -6.5499      1.00000
     90      -6.4923      1.00000
     91      -6.2103      1.00000
     92      -6.0704      1.00000
     93      -5.9425      1.00000
     94      -5.7156      1.00000
     95      -5.6333      1.00000
     96      -5.4526      1.00000
     97      -5.3053      1.00000
     98      -5.2343      1.00000
     99      -5.1523      1.00000
    100      -5.1516      1.00000
    101      -4.5232      1.00000
    102      -4.4710      1.00000
    103      -4.1438      1.00000
    104      -3.8377      1.00000
    105      -3.7572      1.00000
    106      -3.6793      1.00000
    107      -1.8712      0.00000
    108      -1.8242      0.00000
    109      -1.2773      0.00000
    110      -1.0367      0.00000
    111      -1.0111      0.00000
    112      -0.7123      0.00000
    113      -0.6401      0.00000
    114      -0.5880      0.00000
    115      -0.5456      0.00000
    116      -0.2023      0.00000
    117       0.2524      0.00000
    118       0.2792      0.00000
    119       0.7612      0.00000
    120       0.9459      0.00000
    121       1.1325      0.00000
    122       1.2269      0.00000
    123       1.3207      0.00000
    124       1.4126      0.00000
    125       1.6023      0.00000
    126       1.6337      0.00000
    127       1.7032      0.00000
    128       1.8248      0.00000
    129       1.9223      0.00000
    130       2.0149      0.00000
    131       2.1142      0.00000
    132       2.3322      0.00000
    133       2.3968      0.00000
    134       2.4341      0.00000
    135       2.5440      0.00000
    136       2.6361      0.00000
    137       2.7601      0.00000
    138       2.8276      0.00000
    139       2.8342      0.00000
    140       2.8910      0.00000
    141       3.0491      0.00000
    142       3.0921      0.00000
    143       3.1892      0.00000
    144       3.2427      0.00000
    145       3.3912      0.00000
    146       3.4246      0.00000
    147       3.4866      0.00000
    148       3.5808      0.00000
    149       3.6058      0.00000
    150       3.6286      0.00000
    151       3.6527      0.00000
    152       3.7440      0.00000
    153       3.7750      0.00000
    154       3.7912      0.00000
    155       3.8132      0.00000
    156       3.8990      0.00000
    157       3.9803      0.00000
    158       4.0120      0.00000
    159       4.1800      0.00000
    160       4.2431      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2482      1.00000
      2     -21.8938      1.00000
      3     -21.8231      1.00000
      4     -21.3119      1.00000
      5     -21.2815      1.00000
      6     -20.7706      1.00000
      7     -20.7046      1.00000
      8     -20.5562      1.00000
      9     -20.0092      1.00000
     10     -20.0012      1.00000
     11     -19.6480      1.00000
     12     -19.6235      1.00000
     13     -18.9298      1.00000
     14     -18.9208      1.00000
     15     -18.5703      1.00000
     16     -18.5570      1.00000
     17     -18.3938      1.00000
     18     -17.6151      1.00000
     19     -17.5586      1.00000
     20     -17.5534      1.00000
     21     -17.5120      1.00000
     22     -17.0556      1.00000
     23     -17.0384      1.00000
     24     -16.8911      1.00000
     25     -15.9293      1.00000
     26     -15.8681      1.00000
     27     -15.5159      1.00000
     28     -15.5156      1.00000
     29     -15.2290      1.00000
     30     -14.7941      1.00000
     31     -14.7673      1.00000
     32     -14.5151      1.00000
     33     -14.4710      1.00000
     34     -14.1023      1.00000
     35     -14.0909      1.00000
     36     -13.0758      1.00000
     37     -13.0324      1.00000
     38     -12.9669      1.00000
     39     -12.9545      1.00000
     40     -12.6454      1.00000
     41     -12.6381      1.00000
     42     -12.2743      1.00000
     43     -12.2428      1.00000
     44     -11.5881      1.00000
     45     -11.5610      1.00000
     46     -11.5071      1.00000
     47     -10.9053      1.00000
     48     -10.8511      1.00000
     49     -10.6220      1.00000
     50     -10.5583      1.00000
     51     -10.4853      1.00000
     52     -10.4338      1.00000
     53     -10.4240      1.00000
     54     -10.3702      1.00000
     55     -10.2932      1.00000
     56     -10.0655      1.00000
     57      -9.8333      1.00000
     58      -9.5474      1.00000
     59      -9.4880      1.00000
     60      -9.4718      1.00000
     61      -9.3463      1.00000
     62      -9.3306      1.00000
     63      -9.3099      1.00000
     64      -9.3081      1.00000
     65      -9.2144      1.00000
     66      -9.1128      1.00000
     67      -9.0809      1.00000
     68      -9.0505      1.00000
     69      -8.8485      1.00000
     70      -8.7929      1.00000
     71      -8.7745      1.00000
     72      -8.5271      1.00000
     73      -8.4758      1.00000
     74      -8.2226      1.00000
     75      -8.1108      1.00000
     76      -8.0994      1.00000
     77      -7.8073      1.00000
     78      -7.7831      1.00000
     79      -7.7817      1.00000
     80      -7.6736      1.00000
     81      -7.6309      1.00000
     82      -7.6306      1.00000
     83      -7.4008      1.00000
     84      -7.3248      1.00000
     85      -7.2001      1.00000
     86      -6.8402      1.00000
     87      -6.8289      1.00000
     88      -6.6624      1.00000
     89      -6.5388      1.00000
     90      -6.3437      1.00000
     91      -6.3071      1.00000
     92      -6.1844      1.00000
     93      -6.1484      1.00000
     94      -5.9778      1.00000
     95      -5.5728      1.00000
     96      -5.4262      1.00000
     97      -5.2588      1.00000
     98      -5.2511      1.00000
     99      -5.1492      1.00000
    100      -4.6956      1.00000
    101      -4.6656      1.00000
    102      -4.3493      1.00000
    103      -4.3162      1.00000
    104      -3.9649      1.00000
    105      -3.8311      1.00000
    106      -3.3889      1.00000
    107      -2.2208      0.00000
    108      -1.3776      0.00000
    109      -1.2871      0.00000
    110      -1.1729      0.00000
    111      -1.0775      0.00000
    112      -0.8929      0.00000
    113      -0.7675      0.00000
    114      -0.7571      0.00000
    115      -0.2180      0.00000
    116       0.1128      0.00000
    117       0.2635      0.00000
    118       0.3463      0.00000
    119       0.7350      0.00000
    120       0.9042      0.00000
    121       0.9719      0.00000
    122       1.0948      0.00000
    123       1.2090      0.00000
    124       1.5303      0.00000
    125       1.5656      0.00000
    126       1.7174      0.00000
    127       1.8389      0.00000
    128       1.8626      0.00000
    129       1.9726      0.00000
    130       2.0011      0.00000
    131       2.1635      0.00000
    132       2.2710      0.00000
    133       2.4590      0.00000
    134       2.4730      0.00000
    135       2.5092      0.00000
    136       2.6664      0.00000
    137       2.6868      0.00000
    138       2.7336      0.00000
    139       2.7491      0.00000
    140       2.8963      0.00000
    141       3.0247      0.00000
    142       3.0884      0.00000
    143       3.1970      0.00000
    144       3.2588      0.00000
    145       3.2641      0.00000
    146       3.2741      0.00000
    147       3.3677      0.00000
    148       3.4865      0.00000
    149       3.5310      0.00000
    150       3.6986      0.00000
    151       3.7592      0.00000
    152       3.7711      0.00000
    153       3.8407      0.00000
    154       3.8839      0.00000
    155       3.9466      0.00000
    156       3.9880      0.00000
    157       4.0270      0.00000
    158       4.0555      0.00000
    159       4.0610      0.00000
    160       4.0877      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1423      1.00000
      2     -22.0469      1.00000
      3     -21.8867      1.00000
      4     -21.3348      1.00000
      5     -20.9819      1.00000
      6     -20.9433      1.00000
      7     -20.4336      1.00000
      8     -20.3908      1.00000
      9     -20.2267      1.00000
     10     -20.2052      1.00000
     11     -19.8893      1.00000
     12     -19.8216      1.00000
     13     -18.8151      1.00000
     14     -18.7438      1.00000
     15     -18.2904      1.00000
     16     -18.2363      1.00000
     17     -18.0858      1.00000
     18     -18.0659      1.00000
     19     -17.7619      1.00000
     20     -17.7190      1.00000
     21     -17.1890      1.00000
     22     -17.1699      1.00000
     23     -17.0998      1.00000
     24     -17.0639      1.00000
     25     -16.0378      1.00000
     26     -15.8236      1.00000
     27     -15.7998      1.00000
     28     -15.7643      1.00000
     29     -15.1739      1.00000
     30     -14.4916      1.00000
     31     -14.4585      1.00000
     32     -14.2180      1.00000
     33     -13.8950      1.00000
     34     -13.8902      1.00000
     35     -13.7560      1.00000
     36     -13.7357      1.00000
     37     -13.5522      1.00000
     38     -13.5030      1.00000
     39     -13.3001      1.00000
     40     -12.5643      1.00000
     41     -12.1259      1.00000
     42     -12.0659      1.00000
     43     -12.0106      1.00000
     44     -11.9517      1.00000
     45     -11.6109      1.00000
     46     -11.5880      1.00000
     47     -11.0855      1.00000
     48     -11.0520      1.00000
     49     -10.7539      1.00000
     50     -10.6642      1.00000
     51     -10.5274      1.00000
     52     -10.1483      1.00000
     53     -10.1388      1.00000
     54     -10.0961      1.00000
     55      -9.9530      1.00000
     56      -9.9477      1.00000
     57      -9.9174      1.00000
     58      -9.7381      1.00000
     59      -9.7308      1.00000
     60      -9.7015      1.00000
     61      -9.6903      1.00000
     62      -9.4296      1.00000
     63      -9.3635      1.00000
     64      -9.0869      1.00000
     65      -9.0062      1.00000
     66      -8.9750      1.00000
     67      -8.8884      1.00000
     68      -8.8114      1.00000
     69      -8.6586      1.00000
     70      -8.6347      1.00000
     71      -8.5789      1.00000
     72      -8.4786      1.00000
     73      -8.4680      1.00000
     74      -8.3984      1.00000
     75      -8.3944      1.00000
     76      -8.1839      1.00000
     77      -8.1144      1.00000
     78      -7.9773      1.00000
     79      -7.9155      1.00000
     80      -7.8467      1.00000
     81      -7.6180      1.00000
     82      -7.5302      1.00000
     83      -7.4695      1.00000
     84      -7.2567      1.00000
     85      -6.9342      1.00000
     86      -6.8578      1.00000
     87      -6.8108      1.00000
     88      -6.5751      1.00000
     89      -6.4678      1.00000
     90      -6.4205      1.00000
     91      -6.3567      1.00000
     92      -6.0530      1.00000
     93      -5.8779      1.00000
     94      -5.7530      1.00000
     95      -5.7219      1.00000
     96      -5.4775      1.00000
     97      -5.3465      1.00000
     98      -5.1803      1.00000
     99      -5.1563      1.00000
    100      -5.1547      1.00000
    101      -4.7078      1.00000
    102      -4.4413      1.00000
    103      -4.2560      1.00000
    104      -3.9965      1.00000
    105      -3.8300      1.00000
    106      -3.1558      1.00000
    107      -2.4632      0.00000
    108      -1.3791      0.00000
    109      -1.2418      0.00000
    110      -1.1456      0.00000
    111      -1.1146      0.00000
    112      -0.5635      0.00000
    113      -0.4345      0.00000
    114      -0.4294      0.00000
    115      -0.3106      0.00000
    116      -0.1895      0.00000
    117       0.0620      0.00000
    118       0.1174      0.00000
    119       0.5400      0.00000
    120       0.6842      0.00000
    121       0.8719      0.00000
    122       0.9688      0.00000
    123       1.1119      0.00000
    124       1.4963      0.00000
    125       1.6628      0.00000
    126       1.8069      0.00000
    127       1.8780      0.00000
    128       2.0954      0.00000
    129       2.1487      0.00000
    130       2.1975      0.00000
    131       2.2161      0.00000
    132       2.3403      0.00000
    133       2.3664      0.00000
    134       2.4884      0.00000
    135       2.5815      0.00000
    136       2.6712      0.00000
    137       2.8805      0.00000
    138       2.9382      0.00000
    139       2.9674      0.00000
    140       3.0039      0.00000
    141       3.0455      0.00000
    142       3.1524      0.00000
    143       3.1857      0.00000
    144       3.2521      0.00000
    145       3.2919      0.00000
    146       3.3338      0.00000
    147       3.3499      0.00000
    148       3.3809      0.00000
    149       3.4175      0.00000
    150       3.4982      0.00000
    151       3.5555      0.00000
    152       3.6369      0.00000
    153       3.6995      0.00000
    154       3.7116      0.00000
    155       3.7301      0.00000
    156       3.9219      0.00000
    157       3.9428      0.00000
    158       4.0609      0.00000
    159       4.0921      0.00000
    160       4.2060      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2480      1.00000
      2     -21.8953      1.00000
      3     -21.8216      1.00000
      4     -21.3164      1.00000
      5     -21.2775      1.00000
      6     -20.7717      1.00000
      7     -20.7026      1.00000
      8     -20.5547      1.00000
      9     -20.0230      1.00000
     10     -19.9905      1.00000
     11     -19.6505      1.00000
     12     -19.6193      1.00000
     13     -18.9436      1.00000
     14     -18.9087      1.00000
     15     -18.5842      1.00000
     16     -18.5465      1.00000
     17     -18.3922      1.00000
     18     -17.6020      1.00000
     19     -17.5707      1.00000
     20     -17.5413      1.00000
     21     -17.5085      1.00000
     22     -17.0748      1.00000
     23     -17.0273      1.00000
     24     -16.9002      1.00000
     25     -15.9457      1.00000
     26     -15.8510      1.00000
     27     -15.5335      1.00000
     28     -15.5067      1.00000
     29     -15.2090      1.00000
     30     -14.8144      1.00000
     31     -14.7613      1.00000
     32     -14.5097      1.00000
     33     -14.4678      1.00000
     34     -14.0961      1.00000
     35     -14.0930      1.00000
     36     -13.1054      1.00000
     37     -13.0299      1.00000
     38     -12.9568      1.00000
     39     -12.9493      1.00000
     40     -12.6560      1.00000
     41     -12.6274      1.00000
     42     -12.2743      1.00000
     43     -12.2471      1.00000
     44     -11.5730      1.00000
     45     -11.5533      1.00000
     46     -11.5004      1.00000
     47     -10.8785      1.00000
     48     -10.8685      1.00000
     49     -10.6832      1.00000
     50     -10.5254      1.00000
     51     -10.5206      1.00000
     52     -10.4332      1.00000
     53     -10.4162      1.00000
     54     -10.3705      1.00000
     55     -10.2883      1.00000
     56     -10.0611      1.00000
     57      -9.8320      1.00000
     58      -9.5595      1.00000
     59      -9.4847      1.00000
     60      -9.4450      1.00000
     61      -9.3551      1.00000
     62      -9.3395      1.00000
     63      -9.3079      1.00000
     64      -9.3030      1.00000
     65      -9.2061      1.00000
     66      -9.0992      1.00000
     67      -9.0680      1.00000
     68      -9.0488      1.00000
     69      -8.8516      1.00000
     70      -8.7963      1.00000
     71      -8.7784      1.00000
     72      -8.5270      1.00000
     73      -8.4973      1.00000
     74      -8.2276      1.00000
     75      -8.1289      1.00000
     76      -8.0932      1.00000
     77      -7.8073      1.00000
     78      -7.7676      1.00000
     79      -7.7396      1.00000
     80      -7.7031      1.00000
     81      -7.6361      1.00000
     82      -7.6243      1.00000
     83      -7.3880      1.00000
     84      -7.3444      1.00000
     85      -7.2196      1.00000
     86      -6.8437      1.00000
     87      -6.8203      1.00000
     88      -6.6403      1.00000
     89      -6.5296      1.00000
     90      -6.3418      1.00000
     91      -6.2732      1.00000
     92      -6.1955      1.00000
     93      -6.1314      1.00000
     94      -6.0214      1.00000
     95      -5.6376      1.00000
     96      -5.5089      1.00000
     97      -5.2977      1.00000
     98      -5.1561      1.00000
     99      -5.0407      1.00000
    100      -4.7267      1.00000
    101      -4.6859      1.00000
    102      -4.3682      1.00000
    103      -4.1855      1.00000
    104      -4.0097      1.00000
    105      -3.8294      1.00000
    106      -3.4841      1.00000
    107      -2.1640      0.00000
    108      -1.3834      0.00000
    109      -1.2361      0.00000
    110      -1.1842      0.00000
    111      -1.0139      0.00000
    112      -0.9563      0.00000
    113      -0.7976      0.00000
    114      -0.7520      0.00000
    115      -0.3653      0.00000
    116       0.2453      0.00000
    117       0.2768      0.00000
    118       0.3647      0.00000
    119       0.7011      0.00000
    120       0.8689      0.00000
    121       0.9661      0.00000
    122       1.1271      0.00000
    123       1.2367      0.00000
    124       1.4563      0.00000
    125       1.5581      0.00000
    126       1.7837      0.00000
    127       1.8515      0.00000
    128       1.8852      0.00000
    129       1.9887      0.00000
    130       2.0334      0.00000
    131       2.2010      0.00000
    132       2.2138      0.00000
    133       2.4046      0.00000
    134       2.4624      0.00000
    135       2.5540      0.00000
    136       2.6588      0.00000
    137       2.6852      0.00000
    138       2.7301      0.00000
    139       2.7735      0.00000
    140       2.8570      0.00000
    141       2.9679      0.00000
    142       3.0871      0.00000
    143       3.1934      0.00000
    144       3.2454      0.00000
    145       3.2610      0.00000
    146       3.3009      0.00000
    147       3.3423      0.00000
    148       3.4851      0.00000
    149       3.5124      0.00000
    150       3.7156      0.00000
    151       3.7261      0.00000
    152       3.7710      0.00000
    153       3.8637      0.00000
    154       3.8770      0.00000
    155       3.9039      0.00000
    156       4.0003      0.00000
    157       4.0061      0.00000
    158       4.0606      0.00000
    159       4.0681      0.00000
    160       4.0910      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3199      1.00000
      2     -21.7618      1.00000
      3     -21.5680      1.00000
      4     -21.5407      1.00000
      5     -21.2053      1.00000
      6     -21.1662      1.00000
      7     -20.9859      1.00000
      8     -20.0989      1.00000
      9     -20.0599      1.00000
     10     -19.5467      1.00000
     11     -19.5261      1.00000
     12     -19.3450      1.00000
     13     -19.0286      1.00000
     14     -18.9884      1.00000
     15     -18.9775      1.00000
     16     -18.9717      1.00000
     17     -18.2962      1.00000
     18     -18.2824      1.00000
     19     -17.9464      1.00000
     20     -17.0006      1.00000
     21     -16.9597      1.00000
     22     -16.8828      1.00000
     23     -16.8698      1.00000
     24     -16.4161      1.00000
     25     -16.3936      1.00000
     26     -15.5407      1.00000
     27     -15.5374      1.00000
     28     -15.1725      1.00000
     29     -15.1713      1.00000
     30     -15.1318      1.00000
     31     -15.0371      1.00000
     32     -15.0011      1.00000
     33     -14.6333      1.00000
     34     -14.6265      1.00000
     35     -13.6626      1.00000
     36     -13.6530      1.00000
     37     -13.1715      1.00000
     38     -12.5741      1.00000
     39     -12.5132      1.00000
     40     -12.3860      1.00000
     41     -12.3856      1.00000
     42     -12.0348      1.00000
     43     -12.0311      1.00000
     44     -11.6546      1.00000
     45     -11.6143      1.00000
     46     -11.2073      1.00000
     47     -11.1569      1.00000
     48     -10.9558      1.00000
     49     -10.9426      1.00000
     50     -10.8602      1.00000
     51     -10.8279      1.00000
     52     -10.6260      1.00000
     53     -10.1473      1.00000
     54     -10.0850      1.00000
     55     -10.0259      1.00000
     56      -9.9467      1.00000
     57      -9.6312      1.00000
     58      -9.6293      1.00000
     59      -9.6034      1.00000
     60      -9.5405      1.00000
     61      -9.5034      1.00000
     62      -9.4786      1.00000
     63      -9.2732      1.00000
     64      -9.2357      1.00000
     65      -9.2075      1.00000
     66      -9.1791      1.00000
     67      -9.0624      1.00000
     68      -9.0472      1.00000
     69      -9.0437      1.00000
     70      -8.8770      1.00000
     71      -8.8083      1.00000
     72      -8.5364      1.00000
     73      -8.5321      1.00000
     74      -8.5014      1.00000
     75      -8.0320      1.00000
     76      -7.8319      1.00000
     77      -7.8005      1.00000
     78      -7.7737      1.00000
     79      -7.7040      1.00000
     80      -7.6845      1.00000
     81      -7.4137      1.00000
     82      -7.2885      1.00000
     83      -7.2514      1.00000
     84      -7.2039      1.00000
     85      -7.0822      1.00000
     86      -7.0751      1.00000
     87      -6.9374      1.00000
     88      -6.7118      1.00000
     89      -6.6745      1.00000
     90      -6.6293      1.00000
     91      -6.5571      1.00000
     92      -6.0724      1.00000
     93      -6.0322      1.00000
     94      -6.0010      1.00000
     95      -5.9367      1.00000
     96      -5.8006      1.00000
     97      -5.1822      1.00000
     98      -4.8956      1.00000
     99      -4.7942      1.00000
    100      -4.6110      1.00000
    101      -4.5127      1.00000
    102      -4.1410      1.00000
    103      -4.0914      1.00000
    104      -3.9308      1.00000
    105      -3.9168      1.00000
    106      -3.8285      1.00000
    107      -1.7515      0.00000
    108      -1.6955      0.00000
    109      -1.4100      0.00000
    110      -1.3718      0.00000
    111      -1.2642      0.00000
    112      -1.2360      0.00000
    113      -0.6237      0.00000
    114      -0.5989      0.00000
    115      -0.1897      0.00000
    116       0.0427      0.00000
    117       0.5847      0.00000
    118       0.7413      0.00000
    119       0.8500      0.00000
    120       0.9284      0.00000
    121       1.1676      0.00000
    122       1.2115      0.00000
    123       1.2467      0.00000
    124       1.4209      0.00000
    125       1.5995      0.00000
    126       1.6415      0.00000
    127       1.7056      0.00000
    128       1.8081      0.00000
    129       1.9236      0.00000
    130       1.9403      0.00000
    131       2.1512      0.00000
    132       2.1741      0.00000
    133       2.2630      0.00000
    134       2.3045      0.00000
    135       2.5446      0.00000
    136       2.5618      0.00000
    137       2.6427      0.00000
    138       2.7625      0.00000
    139       2.8174      0.00000
    140       2.8499      0.00000
    141       2.8941      0.00000
    142       2.9459      0.00000
    143       3.0167      0.00000
    144       3.0304      0.00000
    145       3.0922      0.00000
    146       3.3174      0.00000
    147       3.3742      0.00000
    148       3.4221      0.00000
    149       3.4835      0.00000
    150       3.6140      0.00000
    151       3.6604      0.00000
    152       3.6728      0.00000
    153       3.6830      0.00000
    154       3.8966      0.00000
    155       3.9838      0.00000
    156       4.0298      0.00000
    157       4.0763      0.00000
    158       4.2433      0.00000
    159       4.2601      0.00000
    160       4.2705      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1413      1.00000
      2     -22.0483      1.00000
      3     -21.8862      1.00000
      4     -21.3357      1.00000
      5     -20.9770      1.00000
      6     -20.9474      1.00000
      7     -20.4283      1.00000
      8     -20.3962      1.00000
      9     -20.2165      1.00000
     10     -20.2141      1.00000
     11     -19.8880      1.00000
     12     -19.8242      1.00000
     13     -18.8179      1.00000
     14     -18.7470      1.00000
     15     -18.2658      1.00000
     16     -18.2522      1.00000
     17     -18.0807      1.00000
     18     -18.0735      1.00000
     19     -17.7458      1.00000
     20     -17.7307      1.00000
     21     -17.1954      1.00000
     22     -17.1715      1.00000
     23     -17.0887      1.00000
     24     -17.0681      1.00000
     25     -16.0549      1.00000
     26     -15.8085      1.00000
     27     -15.7988      1.00000
     28     -15.7779      1.00000
     29     -15.1589      1.00000
     30     -14.4857      1.00000
     31     -14.4643      1.00000
     32     -14.2039      1.00000
     33     -13.9175      1.00000
     34     -13.8871      1.00000
     35     -13.7596      1.00000
     36     -13.7391      1.00000
     37     -13.5359      1.00000
     38     -13.5106      1.00000
     39     -13.3018      1.00000
     40     -12.5774      1.00000
     41     -12.1007      1.00000
     42     -12.0773      1.00000
     43     -11.9981      1.00000
     44     -11.9509      1.00000
     45     -11.6065      1.00000
     46     -11.5986      1.00000
     47     -11.0850      1.00000
     48     -11.0607      1.00000
     49     -10.7317      1.00000
     50     -10.6645      1.00000
     51     -10.5605      1.00000
     52     -10.1402      1.00000
     53     -10.1358      1.00000
     54     -10.1009      1.00000
     55      -9.9667      1.00000
     56      -9.9256      1.00000
     57      -9.9218      1.00000
     58      -9.7520      1.00000
     59      -9.7295      1.00000
     60      -9.6978      1.00000
     61      -9.6947      1.00000
     62      -9.4014      1.00000
     63      -9.3888      1.00000
     64      -9.0693      1.00000
     65      -8.9832      1.00000
     66      -8.9816      1.00000
     67      -8.9056      1.00000
     68      -8.8120      1.00000
     69      -8.6502      1.00000
     70      -8.6339      1.00000
     71      -8.5487      1.00000
     72      -8.5016      1.00000
     73      -8.4824      1.00000
     74      -8.3941      1.00000
     75      -8.3829      1.00000
     76      -8.2100      1.00000
     77      -8.1023      1.00000
     78      -8.0070      1.00000
     79      -7.9023      1.00000
     80      -7.8442      1.00000
     81      -7.6219      1.00000
     82      -7.5328      1.00000
     83      -7.4566      1.00000
     84      -7.2534      1.00000
     85      -6.9445      1.00000
     86      -6.8693      1.00000
     87      -6.8107      1.00000
     88      -6.4784      1.00000
     89      -6.4677      1.00000
     90      -6.4093      1.00000
     91      -6.3600      1.00000
     92      -6.1916      1.00000
     93      -5.8582      1.00000
     94      -5.7379      1.00000
     95      -5.7112      1.00000
     96      -5.5240      1.00000
     97      -5.3299      1.00000
     98      -5.1721      1.00000
     99      -5.1678      1.00000
    100      -5.1342      1.00000
    101      -4.6964      1.00000
    102      -4.3487      1.00000
    103      -4.2808      1.00000
    104      -4.0300      1.00000
    105      -3.8309      1.00000
    106      -3.2334      1.00000
    107      -2.4045      0.00000
    108      -1.3454      0.00000
    109      -1.2446      0.00000
    110      -1.1525      0.00000
    111      -1.1082      0.00000
    112      -0.5826      0.00000
    113      -0.5218      0.00000
    114      -0.4339      0.00000
    115      -0.2745      0.00000
    116      -0.0708      0.00000
    117      -0.0110      0.00000
    118       0.0598      0.00000
    119       0.5837      0.00000
    120       0.7109      0.00000
    121       0.8104      0.00000
    122       0.9449      0.00000
    123       1.1839      0.00000
    124       1.5115      0.00000
    125       1.6205      0.00000
    126       1.8635      0.00000
    127       2.0060      0.00000
    128       2.0519      0.00000
    129       2.1159      0.00000
    130       2.1580      0.00000
    131       2.2696      0.00000
    132       2.2862      0.00000
    133       2.3507      0.00000
    134       2.4621      0.00000
    135       2.6125      0.00000
    136       2.7026      0.00000
    137       2.8211      0.00000
    138       2.9150      0.00000
    139       2.9431      0.00000
    140       3.0231      0.00000
    141       3.0539      0.00000
    142       3.1584      0.00000
    143       3.1682      0.00000
    144       3.2325      0.00000
    145       3.3001      0.00000
    146       3.3124      0.00000
    147       3.3541      0.00000
    148       3.3741      0.00000
    149       3.4184      0.00000
    150       3.4514      0.00000
    151       3.5676      0.00000
    152       3.6155      0.00000
    153       3.7068      0.00000
    154       3.7303      0.00000
    155       3.8495      0.00000
    156       3.9113      0.00000
    157       3.9327      0.00000
    158       3.9646      0.00000
    159       4.1508      0.00000
    160       4.1851      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2140      1.00000
      2     -22.0087      1.00000
      3     -21.6467      1.00000
      4     -21.6153      1.00000
      5     -20.9103      1.00000
      6     -20.8694      1.00000
      7     -20.5396      1.00000
      8     -20.5070      1.00000
      9     -20.5001      1.00000
     10     -19.9628      1.00000
     11     -19.4416      1.00000
     12     -19.4190      1.00000
     13     -19.2403      1.00000
     14     -19.2331      1.00000
     15     -18.3766      1.00000
     16     -18.3413      1.00000
     17     -17.8593      1.00000
     18     -17.8429      1.00000
     19     -17.6918      1.00000
     20     -17.6557      1.00000
     21     -17.3727      1.00000
     22     -17.3582      1.00000
     23     -17.2674      1.00000
     24     -16.4137      1.00000
     25     -16.3904      1.00000
     26     -15.9055      1.00000
     27     -15.3436      1.00000
     28     -15.3388      1.00000
     29     -15.0312      1.00000
     30     -15.0216      1.00000
     31     -14.7761      1.00000
     32     -14.7742      1.00000
     33     -14.2387      1.00000
     34     -14.1872      1.00000
     35     -13.3888      1.00000
     36     -13.3336      1.00000
     37     -13.1111      1.00000
     38     -13.1032      1.00000
     39     -12.9186      1.00000
     40     -12.9128      1.00000
     41     -12.5452      1.00000
     42     -12.5378      1.00000
     43     -12.1343      1.00000
     44     -11.5135      1.00000
     45     -11.4691      1.00000
     46     -11.2446      1.00000
     47     -11.2130      1.00000
     48     -11.0874      1.00000
     49     -10.7073      1.00000
     50     -10.5954      1.00000
     51     -10.5099      1.00000
     52     -10.2520      1.00000
     53     -10.2480      1.00000
     54     -10.1222      1.00000
     55     -10.0539      1.00000
     56     -10.0393      1.00000
     57      -9.7853      1.00000
     58      -9.6879      1.00000
     59      -9.6742      1.00000
     60      -9.6380      1.00000
     61      -9.6283      1.00000
     62      -9.5859      1.00000
     63      -9.2961      1.00000
     64      -9.2842      1.00000
     65      -9.2527      1.00000
     66      -9.0661      1.00000
     67      -8.8949      1.00000
     68      -8.8843      1.00000
     69      -8.7187      1.00000
     70      -8.5821      1.00000
     71      -8.5258      1.00000
     72      -8.3511      1.00000
     73      -8.3049      1.00000
     74      -8.2430      1.00000
     75      -8.2386      1.00000
     76      -8.1938      1.00000
     77      -8.1817      1.00000
     78      -8.1695      1.00000
     79      -8.1083      1.00000
     80      -7.6901      1.00000
     81      -7.4188      1.00000
     82      -7.3453      1.00000
     83      -7.2584      1.00000
     84      -7.1697      1.00000
     85      -7.1112      1.00000
     86      -7.0043      1.00000
     87      -6.9042      1.00000
     88      -6.8475      1.00000
     89      -6.5411      1.00000
     90      -6.4996      1.00000
     91      -6.2138      1.00000
     92      -6.2009      1.00000
     93      -5.8947      1.00000
     94      -5.6742      1.00000
     95      -5.6085      1.00000
     96      -5.5806      1.00000
     97      -5.2532      1.00000
     98      -5.2316      1.00000
     99      -5.1650      1.00000
    100      -5.1348      1.00000
    101      -4.6003      1.00000
    102      -4.2506      1.00000
    103      -4.0466      1.00000
    104      -3.8850      1.00000
    105      -3.8428      1.00000
    106      -3.8011      1.00000
    107      -1.8072      0.00000
    108      -1.7801      0.00000
    109      -1.2255      0.00000
    110      -1.1763      0.00000
    111      -0.9736      0.00000
    112      -0.7340      0.00000
    113      -0.6503      0.00000
    114      -0.5937      0.00000
    115      -0.5497      0.00000
    116      -0.1521      0.00000
    117       0.1759      0.00000
    118       0.2880      0.00000
    119       0.7061      0.00000
    120       0.9499      0.00000
    121       1.1694      0.00000
    122       1.2782      0.00000
    123       1.3468      0.00000
    124       1.5132      0.00000
    125       1.6088      0.00000
    126       1.6290      0.00000
    127       1.6925      0.00000
    128       1.7747      0.00000
    129       1.8658      0.00000
    130       2.0824      0.00000
    131       2.1684      0.00000
    132       2.3224      0.00000
    133       2.3954      0.00000
    134       2.4257      0.00000
    135       2.5577      0.00000
    136       2.6256      0.00000
    137       2.6898      0.00000
    138       2.7505      0.00000
    139       2.8219      0.00000
    140       2.9114      0.00000
    141       3.0582      0.00000
    142       3.0623      0.00000
    143       3.1862      0.00000
    144       3.2845      0.00000
    145       3.3812      0.00000
    146       3.4172      0.00000
    147       3.4622      0.00000
    148       3.5517      0.00000
    149       3.5812      0.00000
    150       3.6366      0.00000
    151       3.6670      0.00000
    152       3.7018      0.00000
    153       3.7919      0.00000
    154       3.8049      0.00000
    155       3.8263      0.00000
    156       3.8959      0.00000
    157       3.9129      0.00000
    158       3.9818      0.00000
    159       4.1919      0.00000
    160       4.2366      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3566      1.00000
      2     -21.5371      1.00000
      3     -21.4071      1.00000
      4     -21.4061      1.00000
      5     -21.3749      1.00000
      6     -21.3658      1.00000
      7     -21.3584      1.00000
      8     -19.6468      1.00000
      9     -19.5720      1.00000
     10     -19.5650      1.00000
     11     -19.5584      1.00000
     12     -19.5406      1.00000
     13     -19.5377      1.00000
     14     -18.7286      1.00000
     15     -18.6796      1.00000
     16     -18.6722      1.00000
     17     -18.6584      1.00000
     18     -18.6431      1.00000
     19     -18.6418      1.00000
     20     -16.5863      1.00000
     21     -16.5260      1.00000
     22     -16.5237      1.00000
     23     -16.5116      1.00000
     24     -16.4870      1.00000
     25     -16.4854      1.00000
     26     -15.5599      1.00000
     27     -15.5265      1.00000
     28     -15.5257      1.00000
     29     -15.4991      1.00000
     30     -15.4948      1.00000
     31     -15.4884      1.00000
     32     -14.2069      1.00000
     33     -14.1800      1.00000
     34     -14.1676      1.00000
     35     -14.1649      1.00000
     36     -14.1598      1.00000
     37     -14.1490      1.00000
     38     -11.8851      1.00000
     39     -11.8089      1.00000
     40     -11.7921      1.00000
     41     -11.7915      1.00000
     42     -11.7885      1.00000
     43     -11.7822      1.00000
     44     -11.7046      1.00000
     45     -11.6984      1.00000
     46     -11.6728      1.00000
     47     -11.6578      1.00000
     48     -11.6577      1.00000
     49     -11.6508      1.00000
     50     -10.6748      1.00000
     51     -10.3293      1.00000
     52     -10.3209      1.00000
     53     -10.3054      1.00000
     54     -10.3048      1.00000
     55     -10.2909      1.00000
     56     -10.2778      1.00000
     57      -9.9285      1.00000
     58      -9.3730      1.00000
     59      -9.3594      1.00000
     60      -9.3002      1.00000
     61      -9.2919      1.00000
     62      -9.2851      1.00000
     63      -9.0936      1.00000
     64      -9.0538      1.00000
     65      -9.0498      1.00000
     66      -9.0259      1.00000
     67      -9.0076      1.00000
     68      -9.0021      1.00000
     69      -9.0011      1.00000
     70      -8.9946      1.00000
     71      -8.9923      1.00000
     72      -8.9712      1.00000
     73      -8.9641      1.00000
     74      -8.9548      1.00000
     75      -8.4995      1.00000
     76      -7.5150      1.00000
     77      -7.4116      1.00000
     78      -7.4096      1.00000
     79      -7.4007      1.00000
     80      -7.3833      1.00000
     81      -7.3646      1.00000
     82      -7.3404      1.00000
     83      -7.3094      1.00000
     84      -7.2694      1.00000
     85      -7.2064      1.00000
     86      -7.1803      1.00000
     87      -7.1801      1.00000
     88      -7.0750      1.00000
     89      -6.5091      1.00000
     90      -6.4617      1.00000
     91      -6.3554      1.00000
     92      -6.2932      1.00000
     93      -6.2879      1.00000
     94      -6.2863      1.00000
     95      -5.8981      1.00000
     96      -5.8839      1.00000
     97      -5.0492      1.00000
     98      -4.9379      1.00000
     99      -4.5397      1.00000
    100      -4.3414      1.00000
    101      -4.3181      1.00000
    102      -4.3174      1.00000
    103      -4.1153      1.00000
    104      -3.9129      1.00000
    105      -3.9007      1.00000
    106      -3.8347      1.00000
    107      -1.6821      0.00000
    108      -1.6690      0.00000
    109      -1.5357      0.00000
    110      -1.5352      0.00000
    111      -1.5223      0.00000
    112      -1.5085      0.00000
    113      -0.5855      0.00000
    114       0.1334      0.00000
    115       0.2069      0.00000
    116       0.3246      0.00000
    117       0.3267      0.00000
    118       0.3338      0.00000
    119       0.4963      0.00000
    120       0.5968      0.00000
    121       1.2591      0.00000
    122       1.2746      0.00000
    123       1.5303      0.00000
    124       1.7978      0.00000
    125       1.8045      0.00000
    126       1.8076      0.00000
    127       1.8127      0.00000
    128       1.9459      0.00000
    129       1.9809      0.00000
    130       2.0320      0.00000
    131       2.0460      0.00000
    132       2.0512      0.00000
    133       2.0550      0.00000
    134       2.0607      0.00000
    135       2.3082      0.00000
    136       2.3267      0.00000
    137       2.6157      0.00000
    138       2.6226      0.00000
    139       2.6525      0.00000
    140       2.7332      0.00000
    141       2.8630      0.00000
    142       3.0285      0.00000
    143       3.0535      0.00000
    144       3.0941      0.00000
    145       3.1018      0.00000
    146       3.1065      0.00000
    147       3.1103      0.00000
    148       3.2379      0.00000
    149       3.4539      0.00000
    150       3.5411      0.00000
    151       3.7901      0.00000
    152       3.9478      0.00000
    153       3.9586      0.00000
    154       3.9645      0.00000
    155       3.9727      0.00000
    156       3.9991      0.00000
    157       4.1840      0.00000
    158       4.2693      0.00000
    159       4.2885      0.00000
    160       4.2893      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3200      1.00000
      2     -21.7615      1.00000
      3     -21.5707      1.00000
      4     -21.5379      1.00000
      5     -21.2079      1.00000
      6     -21.1629      1.00000
      7     -20.9872      1.00000
      8     -20.1019      1.00000
      9     -20.0576      1.00000
     10     -19.5465      1.00000
     11     -19.5217      1.00000
     12     -19.3492      1.00000
     13     -19.0250      1.00000
     14     -18.9896      1.00000
     15     -18.9812      1.00000
     16     -18.9692      1.00000
     17     -18.2974      1.00000
     18     -18.2781      1.00000
     19     -17.9521      1.00000
     20     -17.0098      1.00000
     21     -16.9597      1.00000
     22     -16.8786      1.00000
     23     -16.8686      1.00000
     24     -16.4050      1.00000
     25     -16.3899      1.00000
     26     -15.5526      1.00000
     27     -15.5357      1.00000
     28     -15.1980      1.00000
     29     -15.1691      1.00000
     30     -15.1146      1.00000
     31     -15.0278      1.00000
     32     -15.0025      1.00000
     33     -14.6364      1.00000
     34     -14.6245      1.00000
     35     -13.6676      1.00000
     36     -13.6521      1.00000
     37     -13.1695      1.00000
     38     -12.5514      1.00000
     39     -12.5172      1.00000
     40     -12.3911      1.00000
     41     -12.3779      1.00000
     42     -12.0576      1.00000
     43     -12.0346      1.00000
     44     -11.6596      1.00000
     45     -11.6174      1.00000
     46     -11.1811      1.00000
     47     -11.1564      1.00000
     48     -10.9653      1.00000
     49     -10.9406      1.00000
     50     -10.8742      1.00000
     51     -10.8373      1.00000
     52     -10.6033      1.00000
     53     -10.0938      1.00000
     54     -10.0884      1.00000
     55     -10.0467      1.00000
     56      -9.9706      1.00000
     57      -9.6549      1.00000
     58      -9.6289      1.00000
     59      -9.5923      1.00000
     60      -9.5294      1.00000
     61      -9.5113      1.00000
     62      -9.4791      1.00000
     63      -9.2646      1.00000
     64      -9.2410      1.00000
     65      -9.2210      1.00000
     66      -9.1665      1.00000
     67      -9.0685      1.00000
     68      -9.0467      1.00000
     69      -9.0409      1.00000
     70      -8.8828      1.00000
     71      -8.8066      1.00000
     72      -8.5783      1.00000
     73      -8.5228      1.00000
     74      -8.4608      1.00000
     75      -8.0349      1.00000
     76      -7.8118      1.00000
     77      -7.8072      1.00000
     78      -7.7929      1.00000
     79      -7.7004      1.00000
     80      -7.6904      1.00000
     81      -7.3639      1.00000
     82      -7.2733      1.00000
     83      -7.2648      1.00000
     84      -7.2157      1.00000
     85      -7.1728      1.00000
     86      -7.0088      1.00000
     87      -6.9477      1.00000
     88      -6.7473      1.00000
     89      -6.6725      1.00000
     90      -6.5940      1.00000
     91      -6.5593      1.00000
     92      -6.0504      1.00000
     93      -6.0474      1.00000
     94      -6.0220      1.00000
     95      -5.9590      1.00000
     96      -5.7367      1.00000
     97      -5.1570      1.00000
     98      -4.9904      1.00000
     99      -4.7190      1.00000
    100      -4.6112      1.00000
    101      -4.4404      1.00000
    102      -4.3742      1.00000
    103      -4.1225      1.00000
    104      -3.8683      1.00000
    105      -3.8345      1.00000
    106      -3.7902      1.00000
    107      -1.7857      0.00000
    108      -1.7387      0.00000
    109      -1.3945      0.00000
    110      -1.3465      0.00000
    111      -1.2639      0.00000
    112      -1.2253      0.00000
    113      -0.7451      0.00000
    114      -0.3788      0.00000
    115      -0.2207      0.00000
    116      -0.0182      0.00000
    117       0.5909      0.00000
    118       0.7368      0.00000
    119       0.7642      0.00000
    120       1.0497      0.00000
    121       1.1419      0.00000
    122       1.2506      0.00000
    123       1.2723      0.00000
    124       1.4149      0.00000
    125       1.4805      0.00000
    126       1.5885      0.00000
    127       1.7589      0.00000
    128       1.8418      0.00000
    129       1.8974      0.00000
    130       1.9594      0.00000
    131       2.1079      0.00000
    132       2.2376      0.00000
    133       2.2508      0.00000
    134       2.2990      0.00000
    135       2.4910      0.00000
    136       2.6190      0.00000
    137       2.6415      0.00000
    138       2.7693      0.00000
    139       2.8065      0.00000
    140       2.8594      0.00000
    141       2.8694      0.00000
    142       2.8937      0.00000
    143       2.9607      0.00000
    144       3.0863      0.00000
    145       3.2839      0.00000
    146       3.3121      0.00000
    147       3.3798      0.00000
    148       3.4110      0.00000
    149       3.4712      0.00000
    150       3.5948      0.00000
    151       3.6422      0.00000
    152       3.6743      0.00000
    153       3.7127      0.00000
    154       3.9115      0.00000
    155       3.9457      0.00000
    156       3.9846      0.00000
    157       4.0881      0.00000
    158       4.2088      0.00000
    159       4.2510      0.00000
    160       4.3005      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2144      1.00000
      2     -22.0080      1.00000
      3     -21.6494      1.00000
      4     -21.6123      1.00000
      5     -20.9132      1.00000
      6     -20.8667      1.00000
      7     -20.5459      1.00000
      8     -20.5064      1.00000
      9     -20.4960      1.00000
     10     -19.9637      1.00000
     11     -19.4427      1.00000
     12     -19.4154      1.00000
     13     -19.2417      1.00000
     14     -19.2273      1.00000
     15     -18.3843      1.00000
     16     -18.3400      1.00000
     17     -17.8602      1.00000
     18     -17.8391      1.00000
     19     -17.6980      1.00000
     20     -17.6553      1.00000
     21     -17.3722      1.00000
     22     -17.3561      1.00000
     23     -17.2745      1.00000
     24     -16.4014      1.00000
     25     -16.3865      1.00000
     26     -15.8964      1.00000
     27     -15.3532      1.00000
     28     -15.3371      1.00000
     29     -15.0352      1.00000
     30     -15.0209      1.00000
     31     -14.7998      1.00000
     32     -14.7750      1.00000
     33     -14.2221      1.00000
     34     -14.1895      1.00000
     35     -13.3712      1.00000
     36     -13.3369      1.00000
     37     -13.1202      1.00000
     38     -13.1026      1.00000
     39     -12.9164      1.00000
     40     -12.9028      1.00000
     41     -12.5570      1.00000
     42     -12.5390      1.00000
     43     -12.1331      1.00000
     44     -11.5225      1.00000
     45     -11.4743      1.00000
     46     -11.2542      1.00000
     47     -11.2201      1.00000
     48     -11.0794      1.00000
     49     -10.6601      1.00000
     50     -10.5888      1.00000
     51     -10.5242      1.00000
     52     -10.2575      1.00000
     53     -10.2494      1.00000
     54     -10.1231      1.00000
     55     -10.0485      1.00000
     56     -10.0416      1.00000
     57      -9.7702      1.00000
     58      -9.7049      1.00000
     59      -9.6803      1.00000
     60      -9.6308      1.00000
     61      -9.6260      1.00000
     62      -9.5879      1.00000
     63      -9.2947      1.00000
     64      -9.2852      1.00000
     65      -9.2536      1.00000
     66      -9.0889      1.00000
     67      -8.8968      1.00000
     68      -8.8839      1.00000
     69      -8.7249      1.00000
     70      -8.5896      1.00000
     71      -8.5145      1.00000
     72      -8.3310      1.00000
     73      -8.3029      1.00000
     74      -8.2648      1.00000
     75      -8.2334      1.00000
     76      -8.1947      1.00000
     77      -8.1865      1.00000
     78      -8.1709      1.00000
     79      -8.1018      1.00000
     80      -7.6887      1.00000
     81      -7.3567      1.00000
     82      -7.3105      1.00000
     83      -7.2639      1.00000
     84      -7.1874      1.00000
     85      -7.1253      1.00000
     86      -7.0771      1.00000
     87      -6.9071      1.00000
     88      -6.8825      1.00000
     89      -6.5499      1.00000
     90      -6.4923      1.00000
     91      -6.2103      1.00000
     92      -6.0704      1.00000
     93      -5.9425      1.00000
     94      -5.7156      1.00000
     95      -5.6333      1.00000
     96      -5.4526      1.00000
     97      -5.3053      1.00000
     98      -5.2343      1.00000
     99      -5.1523      1.00000
    100      -5.1516      1.00000
    101      -4.5232      1.00000
    102      -4.4710      1.00000
    103      -4.1438      1.00000
    104      -3.8377      1.00000
    105      -3.7572      1.00000
    106      -3.6793      1.00000
    107      -1.8712      0.00000
    108      -1.8242      0.00000
    109      -1.2773      0.00000
    110      -1.0367      0.00000
    111      -1.0111      0.00000
    112      -0.7123      0.00000
    113      -0.6401      0.00000
    114      -0.5880      0.00000
    115      -0.5456      0.00000
    116      -0.2023      0.00000
    117       0.2524      0.00000
    118       0.2792      0.00000
    119       0.7612      0.00000
    120       0.9459      0.00000
    121       1.1325      0.00000
    122       1.2269      0.00000
    123       1.3207      0.00000
    124       1.4126      0.00000
    125       1.6023      0.00000
    126       1.6337      0.00000
    127       1.7032      0.00000
    128       1.8248      0.00000
    129       1.9223      0.00000
    130       2.0149      0.00000
    131       2.1142      0.00000
    132       2.3322      0.00000
    133       2.3968      0.00000
    134       2.4341      0.00000
    135       2.5440      0.00000
    136       2.6361      0.00000
    137       2.7601      0.00000
    138       2.8276      0.00000
    139       2.8342      0.00000
    140       2.8910      0.00000
    141       3.0491      0.00000
    142       3.0921      0.00000
    143       3.1892      0.00000
    144       3.2427      0.00000
    145       3.3912      0.00000
    146       3.4246      0.00000
    147       3.4866      0.00000
    148       3.5808      0.00000
    149       3.6058      0.00000
    150       3.6286      0.00000
    151       3.6527      0.00000
    152       3.7440      0.00000
    153       3.7750      0.00000
    154       3.7912      0.00000
    155       3.8132      0.00000
    156       3.8990      0.00000
    157       3.9803      0.00000
    158       4.0120      0.00000
    159       4.1800      0.00000
    160       4.2431      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2482      1.00000
      2     -21.8938      1.00000
      3     -21.8231      1.00000
      4     -21.3119      1.00000
      5     -21.2815      1.00000
      6     -20.7706      1.00000
      7     -20.7046      1.00000
      8     -20.5562      1.00000
      9     -20.0092      1.00000
     10     -20.0012      1.00000
     11     -19.6480      1.00000
     12     -19.6235      1.00000
     13     -18.9298      1.00000
     14     -18.9208      1.00000
     15     -18.5703      1.00000
     16     -18.5570      1.00000
     17     -18.3938      1.00000
     18     -17.6151      1.00000
     19     -17.5586      1.00000
     20     -17.5534      1.00000
     21     -17.5120      1.00000
     22     -17.0556      1.00000
     23     -17.0384      1.00000
     24     -16.8911      1.00000
     25     -15.9293      1.00000
     26     -15.8681      1.00000
     27     -15.5159      1.00000
     28     -15.5156      1.00000
     29     -15.2290      1.00000
     30     -14.7941      1.00000
     31     -14.7673      1.00000
     32     -14.5151      1.00000
     33     -14.4710      1.00000
     34     -14.1023      1.00000
     35     -14.0909      1.00000
     36     -13.0758      1.00000
     37     -13.0324      1.00000
     38     -12.9669      1.00000
     39     -12.9545      1.00000
     40     -12.6454      1.00000
     41     -12.6381      1.00000
     42     -12.2743      1.00000
     43     -12.2428      1.00000
     44     -11.5881      1.00000
     45     -11.5610      1.00000
     46     -11.5071      1.00000
     47     -10.9053      1.00000
     48     -10.8511      1.00000
     49     -10.6220      1.00000
     50     -10.5583      1.00000
     51     -10.4853      1.00000
     52     -10.4338      1.00000
     53     -10.4240      1.00000
     54     -10.3702      1.00000
     55     -10.2932      1.00000
     56     -10.0655      1.00000
     57      -9.8333      1.00000
     58      -9.5474      1.00000
     59      -9.4880      1.00000
     60      -9.4718      1.00000
     61      -9.3463      1.00000
     62      -9.3306      1.00000
     63      -9.3099      1.00000
     64      -9.3081      1.00000
     65      -9.2144      1.00000
     66      -9.1128      1.00000
     67      -9.0809      1.00000
     68      -9.0505      1.00000
     69      -8.8485      1.00000
     70      -8.7929      1.00000
     71      -8.7745      1.00000
     72      -8.5271      1.00000
     73      -8.4758      1.00000
     74      -8.2226      1.00000
     75      -8.1108      1.00000
     76      -8.0994      1.00000
     77      -7.8073      1.00000
     78      -7.7831      1.00000
     79      -7.7817      1.00000
     80      -7.6736      1.00000
     81      -7.6309      1.00000
     82      -7.6306      1.00000
     83      -7.4008      1.00000
     84      -7.3248      1.00000
     85      -7.2001      1.00000
     86      -6.8402      1.00000
     87      -6.8289      1.00000
     88      -6.6624      1.00000
     89      -6.5388      1.00000
     90      -6.3437      1.00000
     91      -6.3071      1.00000
     92      -6.1844      1.00000
     93      -6.1484      1.00000
     94      -5.9778      1.00000
     95      -5.5728      1.00000
     96      -5.4262      1.00000
     97      -5.2588      1.00000
     98      -5.2511      1.00000
     99      -5.1492      1.00000
    100      -4.6956      1.00000
    101      -4.6656      1.00000
    102      -4.3493      1.00000
    103      -4.3162      1.00000
    104      -3.9649      1.00000
    105      -3.8311      1.00000
    106      -3.3889      1.00000
    107      -2.2208      0.00000
    108      -1.3776      0.00000
    109      -1.2871      0.00000
    110      -1.1729      0.00000
    111      -1.0775      0.00000
    112      -0.8929      0.00000
    113      -0.7675      0.00000
    114      -0.7571      0.00000
    115      -0.2180      0.00000
    116       0.1128      0.00000
    117       0.2635      0.00000
    118       0.3463      0.00000
    119       0.7350      0.00000
    120       0.9042      0.00000
    121       0.9719      0.00000
    122       1.0948      0.00000
    123       1.2090      0.00000
    124       1.5303      0.00000
    125       1.5656      0.00000
    126       1.7174      0.00000
    127       1.8389      0.00000
    128       1.8626      0.00000
    129       1.9726      0.00000
    130       2.0011      0.00000
    131       2.1635      0.00000
    132       2.2710      0.00000
    133       2.4590      0.00000
    134       2.4730      0.00000
    135       2.5092      0.00000
    136       2.6664      0.00000
    137       2.6868      0.00000
    138       2.7336      0.00000
    139       2.7491      0.00000
    140       2.8963      0.00000
    141       3.0247      0.00000
    142       3.0884      0.00000
    143       3.1970      0.00000
    144       3.2588      0.00000
    145       3.2641      0.00000
    146       3.2741      0.00000
    147       3.3677      0.00000
    148       3.4865      0.00000
    149       3.5310      0.00000
    150       3.6986      0.00000
    151       3.7592      0.00000
    152       3.7711      0.00000
    153       3.8407      0.00000
    154       3.8839      0.00000
    155       3.9466      0.00000
    156       3.9880      0.00000
    157       4.0270      0.00000
    158       4.0555      0.00000
    159       4.0610      0.00000
    160       4.0878      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1423      1.00000
      2     -22.0469      1.00000
      3     -21.8867      1.00000
      4     -21.3348      1.00000
      5     -20.9819      1.00000
      6     -20.9433      1.00000
      7     -20.4336      1.00000
      8     -20.3908      1.00000
      9     -20.2267      1.00000
     10     -20.2052      1.00000
     11     -19.8893      1.00000
     12     -19.8216      1.00000
     13     -18.8151      1.00000
     14     -18.7438      1.00000
     15     -18.2904      1.00000
     16     -18.2363      1.00000
     17     -18.0858      1.00000
     18     -18.0659      1.00000
     19     -17.7619      1.00000
     20     -17.7190      1.00000
     21     -17.1890      1.00000
     22     -17.1699      1.00000
     23     -17.0998      1.00000
     24     -17.0639      1.00000
     25     -16.0378      1.00000
     26     -15.8236      1.00000
     27     -15.7998      1.00000
     28     -15.7643      1.00000
     29     -15.1739      1.00000
     30     -14.4916      1.00000
     31     -14.4585      1.00000
     32     -14.2180      1.00000
     33     -13.8950      1.00000
     34     -13.8902      1.00000
     35     -13.7560      1.00000
     36     -13.7357      1.00000
     37     -13.5522      1.00000
     38     -13.5030      1.00000
     39     -13.3001      1.00000
     40     -12.5643      1.00000
     41     -12.1259      1.00000
     42     -12.0659      1.00000
     43     -12.0106      1.00000
     44     -11.9517      1.00000
     45     -11.6109      1.00000
     46     -11.5880      1.00000
     47     -11.0855      1.00000
     48     -11.0520      1.00000
     49     -10.7539      1.00000
     50     -10.6642      1.00000
     51     -10.5274      1.00000
     52     -10.1483      1.00000
     53     -10.1388      1.00000
     54     -10.0961      1.00000
     55      -9.9530      1.00000
     56      -9.9477      1.00000
     57      -9.9174      1.00000
     58      -9.7381      1.00000
     59      -9.7308      1.00000
     60      -9.7015      1.00000
     61      -9.6903      1.00000
     62      -9.4296      1.00000
     63      -9.3635      1.00000
     64      -9.0869      1.00000
     65      -9.0062      1.00000
     66      -8.9750      1.00000
     67      -8.8884      1.00000
     68      -8.8114      1.00000
     69      -8.6586      1.00000
     70      -8.6347      1.00000
     71      -8.5789      1.00000
     72      -8.4786      1.00000
     73      -8.4680      1.00000
     74      -8.3984      1.00000
     75      -8.3944      1.00000
     76      -8.1839      1.00000
     77      -8.1144      1.00000
     78      -7.9773      1.00000
     79      -7.9155      1.00000
     80      -7.8467      1.00000
     81      -7.6180      1.00000
     82      -7.5302      1.00000
     83      -7.4695      1.00000
     84      -7.2567      1.00000
     85      -6.9342      1.00000
     86      -6.8578      1.00000
     87      -6.8108      1.00000
     88      -6.5751      1.00000
     89      -6.4678      1.00000
     90      -6.4205      1.00000
     91      -6.3567      1.00000
     92      -6.0530      1.00000
     93      -5.8779      1.00000
     94      -5.7530      1.00000
     95      -5.7219      1.00000
     96      -5.4775      1.00000
     97      -5.3465      1.00000
     98      -5.1803      1.00000
     99      -5.1563      1.00000
    100      -5.1547      1.00000
    101      -4.7078      1.00000
    102      -4.4413      1.00000
    103      -4.2560      1.00000
    104      -3.9965      1.00000
    105      -3.8300      1.00000
    106      -3.1558      1.00000
    107      -2.4632      0.00000
    108      -1.3791      0.00000
    109      -1.2418      0.00000
    110      -1.1456      0.00000
    111      -1.1146      0.00000
    112      -0.5635      0.00000
    113      -0.4345      0.00000
    114      -0.4294      0.00000
    115      -0.3106      0.00000
    116      -0.1895      0.00000
    117       0.0620      0.00000
    118       0.1174      0.00000
    119       0.5400      0.00000
    120       0.6842      0.00000
    121       0.8719      0.00000
    122       0.9688      0.00000
    123       1.1119      0.00000
    124       1.4963      0.00000
    125       1.6628      0.00000
    126       1.8069      0.00000
    127       1.8780      0.00000
    128       2.0954      0.00000
    129       2.1487      0.00000
    130       2.1975      0.00000
    131       2.2161      0.00000
    132       2.3403      0.00000
    133       2.3664      0.00000
    134       2.4884      0.00000
    135       2.5815      0.00000
    136       2.6712      0.00000
    137       2.8805      0.00000
    138       2.9382      0.00000
    139       2.9674      0.00000
    140       3.0039      0.00000
    141       3.0455      0.00000
    142       3.1524      0.00000
    143       3.1857      0.00000
    144       3.2521      0.00000
    145       3.2919      0.00000
    146       3.3338      0.00000
    147       3.3499      0.00000
    148       3.3809      0.00000
    149       3.4175      0.00000
    150       3.4982      0.00000
    151       3.5555      0.00000
    152       3.6369      0.00000
    153       3.6995      0.00000
    154       3.7116      0.00000
    155       3.7301      0.00000
    156       3.9219      0.00000
    157       3.9428      0.00000
    158       4.0609      0.00000
    159       4.0921      0.00000
    160       4.2061      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2480      1.00000
      2     -21.8953      1.00000
      3     -21.8216      1.00000
      4     -21.3164      1.00000
      5     -21.2775      1.00000
      6     -20.7717      1.00000
      7     -20.7026      1.00000
      8     -20.5547      1.00000
      9     -20.0230      1.00000
     10     -19.9905      1.00000
     11     -19.6505      1.00000
     12     -19.6193      1.00000
     13     -18.9436      1.00000
     14     -18.9087      1.00000
     15     -18.5842      1.00000
     16     -18.5465      1.00000
     17     -18.3922      1.00000
     18     -17.6020      1.00000
     19     -17.5707      1.00000
     20     -17.5413      1.00000
     21     -17.5085      1.00000
     22     -17.0748      1.00000
     23     -17.0273      1.00000
     24     -16.9002      1.00000
     25     -15.9457      1.00000
     26     -15.8510      1.00000
     27     -15.5335      1.00000
     28     -15.5067      1.00000
     29     -15.2090      1.00000
     30     -14.8144      1.00000
     31     -14.7613      1.00000
     32     -14.5097      1.00000
     33     -14.4678      1.00000
     34     -14.0961      1.00000
     35     -14.0930      1.00000
     36     -13.1054      1.00000
     37     -13.0299      1.00000
     38     -12.9568      1.00000
     39     -12.9493      1.00000
     40     -12.6560      1.00000
     41     -12.6274      1.00000
     42     -12.2743      1.00000
     43     -12.2471      1.00000
     44     -11.5730      1.00000
     45     -11.5533      1.00000
     46     -11.5004      1.00000
     47     -10.8785      1.00000
     48     -10.8685      1.00000
     49     -10.6832      1.00000
     50     -10.5254      1.00000
     51     -10.5206      1.00000
     52     -10.4332      1.00000
     53     -10.4162      1.00000
     54     -10.3705      1.00000
     55     -10.2883      1.00000
     56     -10.0611      1.00000
     57      -9.8320      1.00000
     58      -9.5595      1.00000
     59      -9.4847      1.00000
     60      -9.4450      1.00000
     61      -9.3551      1.00000
     62      -9.3395      1.00000
     63      -9.3079      1.00000
     64      -9.3030      1.00000
     65      -9.2061      1.00000
     66      -9.0992      1.00000
     67      -9.0680      1.00000
     68      -9.0488      1.00000
     69      -8.8516      1.00000
     70      -8.7963      1.00000
     71      -8.7784      1.00000
     72      -8.5270      1.00000
     73      -8.4973      1.00000
     74      -8.2276      1.00000
     75      -8.1289      1.00000
     76      -8.0932      1.00000
     77      -7.8073      1.00000
     78      -7.7676      1.00000
     79      -7.7396      1.00000
     80      -7.7031      1.00000
     81      -7.6361      1.00000
     82      -7.6243      1.00000
     83      -7.3880      1.00000
     84      -7.3444      1.00000
     85      -7.2196      1.00000
     86      -6.8437      1.00000
     87      -6.8203      1.00000
     88      -6.6403      1.00000
     89      -6.5296      1.00000
     90      -6.3418      1.00000
     91      -6.2732      1.00000
     92      -6.1955      1.00000
     93      -6.1314      1.00000
     94      -6.0214      1.00000
     95      -5.6376      1.00000
     96      -5.5089      1.00000
     97      -5.2977      1.00000
     98      -5.1561      1.00000
     99      -5.0407      1.00000
    100      -4.7267      1.00000
    101      -4.6859      1.00000
    102      -4.3682      1.00000
    103      -4.1855      1.00000
    104      -4.0097      1.00000
    105      -3.8294      1.00000
    106      -3.4841      1.00000
    107      -2.1640      0.00000
    108      -1.3834      0.00000
    109      -1.2361      0.00000
    110      -1.1842      0.00000
    111      -1.0139      0.00000
    112      -0.9563      0.00000
    113      -0.7976      0.00000
    114      -0.7520      0.00000
    115      -0.3653      0.00000
    116       0.2453      0.00000
    117       0.2768      0.00000
    118       0.3647      0.00000
    119       0.7011      0.00000
    120       0.8689      0.00000
    121       0.9661      0.00000
    122       1.1271      0.00000
    123       1.2367      0.00000
    124       1.4563      0.00000
    125       1.5581      0.00000
    126       1.7837      0.00000
    127       1.8515      0.00000
    128       1.8852      0.00000
    129       1.9887      0.00000
    130       2.0334      0.00000
    131       2.2010      0.00000
    132       2.2138      0.00000
    133       2.4046      0.00000
    134       2.4624      0.00000
    135       2.5540      0.00000
    136       2.6588      0.00000
    137       2.6852      0.00000
    138       2.7301      0.00000
    139       2.7735      0.00000
    140       2.8570      0.00000
    141       2.9679      0.00000
    142       3.0871      0.00000
    143       3.1934      0.00000
    144       3.2454      0.00000
    145       3.2610      0.00000
    146       3.3009      0.00000
    147       3.3423      0.00000
    148       3.4851      0.00000
    149       3.5124      0.00000
    150       3.7156      0.00000
    151       3.7261      0.00000
    152       3.7710      0.00000
    153       3.8637      0.00000
    154       3.8770      0.00000
    155       3.9039      0.00000
    156       4.0003      0.00000
    157       4.0061      0.00000
    158       4.0606      0.00000
    159       4.0681      0.00000
    160       4.0911      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3199      1.00000
      2     -21.7618      1.00000
      3     -21.5680      1.00000
      4     -21.5407      1.00000
      5     -21.2053      1.00000
      6     -21.1662      1.00000
      7     -20.9859      1.00000
      8     -20.0989      1.00000
      9     -20.0599      1.00000
     10     -19.5467      1.00000
     11     -19.5261      1.00000
     12     -19.3450      1.00000
     13     -19.0286      1.00000
     14     -18.9884      1.00000
     15     -18.9775      1.00000
     16     -18.9717      1.00000
     17     -18.2962      1.00000
     18     -18.2824      1.00000
     19     -17.9464      1.00000
     20     -17.0006      1.00000
     21     -16.9597      1.00000
     22     -16.8828      1.00000
     23     -16.8698      1.00000
     24     -16.4161      1.00000
     25     -16.3936      1.00000
     26     -15.5407      1.00000
     27     -15.5374      1.00000
     28     -15.1725      1.00000
     29     -15.1713      1.00000
     30     -15.1318      1.00000
     31     -15.0371      1.00000
     32     -15.0011      1.00000
     33     -14.6333      1.00000
     34     -14.6265      1.00000
     35     -13.6626      1.00000
     36     -13.6530      1.00000
     37     -13.1715      1.00000
     38     -12.5741      1.00000
     39     -12.5132      1.00000
     40     -12.3860      1.00000
     41     -12.3856      1.00000
     42     -12.0348      1.00000
     43     -12.0311      1.00000
     44     -11.6546      1.00000
     45     -11.6143      1.00000
     46     -11.2073      1.00000
     47     -11.1569      1.00000
     48     -10.9558      1.00000
     49     -10.9426      1.00000
     50     -10.8602      1.00000
     51     -10.8279      1.00000
     52     -10.6260      1.00000
     53     -10.1473      1.00000
     54     -10.0850      1.00000
     55     -10.0259      1.00000
     56      -9.9467      1.00000
     57      -9.6312      1.00000
     58      -9.6293      1.00000
     59      -9.6034      1.00000
     60      -9.5405      1.00000
     61      -9.5034      1.00000
     62      -9.4786      1.00000
     63      -9.2732      1.00000
     64      -9.2357      1.00000
     65      -9.2075      1.00000
     66      -9.1791      1.00000
     67      -9.0624      1.00000
     68      -9.0472      1.00000
     69      -9.0437      1.00000
     70      -8.8770      1.00000
     71      -8.8083      1.00000
     72      -8.5364      1.00000
     73      -8.5321      1.00000
     74      -8.5014      1.00000
     75      -8.0320      1.00000
     76      -7.8319      1.00000
     77      -7.8005      1.00000
     78      -7.7737      1.00000
     79      -7.7040      1.00000
     80      -7.6845      1.00000
     81      -7.4137      1.00000
     82      -7.2885      1.00000
     83      -7.2514      1.00000
     84      -7.2039      1.00000
     85      -7.0822      1.00000
     86      -7.0751      1.00000
     87      -6.9374      1.00000
     88      -6.7118      1.00000
     89      -6.6745      1.00000
     90      -6.6293      1.00000
     91      -6.5571      1.00000
     92      -6.0724      1.00000
     93      -6.0322      1.00000
     94      -6.0010      1.00000
     95      -5.9367      1.00000
     96      -5.8006      1.00000
     97      -5.1822      1.00000
     98      -4.8956      1.00000
     99      -4.7942      1.00000
    100      -4.6110      1.00000
    101      -4.5127      1.00000
    102      -4.1410      1.00000
    103      -4.0914      1.00000
    104      -3.9308      1.00000
    105      -3.9168      1.00000
    106      -3.8285      1.00000
    107      -1.7515      0.00000
    108      -1.6955      0.00000
    109      -1.4100      0.00000
    110      -1.3718      0.00000
    111      -1.2642      0.00000
    112      -1.2360      0.00000
    113      -0.6237      0.00000
    114      -0.5989      0.00000
    115      -0.1897      0.00000
    116       0.0427      0.00000
    117       0.5847      0.00000
    118       0.7413      0.00000
    119       0.8500      0.00000
    120       0.9284      0.00000
    121       1.1676      0.00000
    122       1.2115      0.00000
    123       1.2467      0.00000
    124       1.4209      0.00000
    125       1.5995      0.00000
    126       1.6415      0.00000
    127       1.7056      0.00000
    128       1.8081      0.00000
    129       1.9236      0.00000
    130       1.9403      0.00000
    131       2.1512      0.00000
    132       2.1741      0.00000
    133       2.2630      0.00000
    134       2.3045      0.00000
    135       2.5446      0.00000
    136       2.5618      0.00000
    137       2.6427      0.00000
    138       2.7625      0.00000
    139       2.8174      0.00000
    140       2.8499      0.00000
    141       2.8941      0.00000
    142       2.9459      0.00000
    143       3.0167      0.00000
    144       3.0304      0.00000
    145       3.0922      0.00000
    146       3.3174      0.00000
    147       3.3742      0.00000
    148       3.4221      0.00000
    149       3.4835      0.00000
    150       3.6140      0.00000
    151       3.6604      0.00000
    152       3.6728      0.00000
    153       3.6830      0.00000
    154       3.8966      0.00000
    155       3.9838      0.00000
    156       4.0298      0.00000
    157       4.0763      0.00000
    158       4.2433      0.00000
    159       4.2601      0.00000
    160       4.2705      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1413      1.00000
      2     -22.0483      1.00000
      3     -21.8862      1.00000
      4     -21.3357      1.00000
      5     -20.9770      1.00000
      6     -20.9474      1.00000
      7     -20.4283      1.00000
      8     -20.3962      1.00000
      9     -20.2165      1.00000
     10     -20.2141      1.00000
     11     -19.8880      1.00000
     12     -19.8242      1.00000
     13     -18.8179      1.00000
     14     -18.7470      1.00000
     15     -18.2658      1.00000
     16     -18.2522      1.00000
     17     -18.0807      1.00000
     18     -18.0735      1.00000
     19     -17.7458      1.00000
     20     -17.7307      1.00000
     21     -17.1954      1.00000
     22     -17.1715      1.00000
     23     -17.0887      1.00000
     24     -17.0681      1.00000
     25     -16.0549      1.00000
     26     -15.8085      1.00000
     27     -15.7988      1.00000
     28     -15.7779      1.00000
     29     -15.1589      1.00000
     30     -14.4857      1.00000
     31     -14.4643      1.00000
     32     -14.2039      1.00000
     33     -13.9175      1.00000
     34     -13.8871      1.00000
     35     -13.7596      1.00000
     36     -13.7391      1.00000
     37     -13.5359      1.00000
     38     -13.5106      1.00000
     39     -13.3018      1.00000
     40     -12.5774      1.00000
     41     -12.1007      1.00000
     42     -12.0773      1.00000
     43     -11.9981      1.00000
     44     -11.9509      1.00000
     45     -11.6065      1.00000
     46     -11.5986      1.00000
     47     -11.0850      1.00000
     48     -11.0607      1.00000
     49     -10.7317      1.00000
     50     -10.6645      1.00000
     51     -10.5605      1.00000
     52     -10.1402      1.00000
     53     -10.1358      1.00000
     54     -10.1009      1.00000
     55      -9.9667      1.00000
     56      -9.9256      1.00000
     57      -9.9218      1.00000
     58      -9.7520      1.00000
     59      -9.7295      1.00000
     60      -9.6978      1.00000
     61      -9.6947      1.00000
     62      -9.4014      1.00000
     63      -9.3888      1.00000
     64      -9.0693      1.00000
     65      -8.9832      1.00000
     66      -8.9816      1.00000
     67      -8.9056      1.00000
     68      -8.8120      1.00000
     69      -8.6502      1.00000
     70      -8.6339      1.00000
     71      -8.5487      1.00000
     72      -8.5016      1.00000
     73      -8.4824      1.00000
     74      -8.3941      1.00000
     75      -8.3829      1.00000
     76      -8.2100      1.00000
     77      -8.1023      1.00000
     78      -8.0070      1.00000
     79      -7.9023      1.00000
     80      -7.8442      1.00000
     81      -7.6219      1.00000
     82      -7.5328      1.00000
     83      -7.4566      1.00000
     84      -7.2534      1.00000
     85      -6.9445      1.00000
     86      -6.8693      1.00000
     87      -6.8107      1.00000
     88      -6.4784      1.00000
     89      -6.4677      1.00000
     90      -6.4093      1.00000
     91      -6.3600      1.00000
     92      -6.1916      1.00000
     93      -5.8582      1.00000
     94      -5.7379      1.00000
     95      -5.7112      1.00000
     96      -5.5240      1.00000
     97      -5.3299      1.00000
     98      -5.1721      1.00000
     99      -5.1678      1.00000
    100      -5.1342      1.00000
    101      -4.6964      1.00000
    102      -4.3487      1.00000
    103      -4.2808      1.00000
    104      -4.0300      1.00000
    105      -3.8309      1.00000
    106      -3.2334      1.00000
    107      -2.4045      0.00000
    108      -1.3454      0.00000
    109      -1.2446      0.00000
    110      -1.1525      0.00000
    111      -1.1082      0.00000
    112      -0.5826      0.00000
    113      -0.5218      0.00000
    114      -0.4339      0.00000
    115      -0.2745      0.00000
    116      -0.0708      0.00000
    117      -0.0110      0.00000
    118       0.0598      0.00000
    119       0.5837      0.00000
    120       0.7109      0.00000
    121       0.8104      0.00000
    122       0.9449      0.00000
    123       1.1839      0.00000
    124       1.5115      0.00000
    125       1.6205      0.00000
    126       1.8635      0.00000
    127       2.0060      0.00000
    128       2.0519      0.00000
    129       2.1159      0.00000
    130       2.1580      0.00000
    131       2.2696      0.00000
    132       2.2862      0.00000
    133       2.3507      0.00000
    134       2.4621      0.00000
    135       2.6125      0.00000
    136       2.7026      0.00000
    137       2.8211      0.00000
    138       2.9150      0.00000
    139       2.9431      0.00000
    140       3.0231      0.00000
    141       3.0539      0.00000
    142       3.1584      0.00000
    143       3.1682      0.00000
    144       3.2325      0.00000
    145       3.3001      0.00000
    146       3.3124      0.00000
    147       3.3541      0.00000
    148       3.3741      0.00000
    149       3.4184      0.00000
    150       3.4514      0.00000
    151       3.5676      0.00000
    152       3.6155      0.00000
    153       3.7068      0.00000
    154       3.7303      0.00000
    155       3.8495      0.00000
    156       3.9113      0.00000
    157       3.9327      0.00000
    158       3.9646      0.00000
    159       4.1508      0.00000
    160       4.1851      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2140      1.00000
      2     -22.0087      1.00000
      3     -21.6467      1.00000
      4     -21.6153      1.00000
      5     -20.9103      1.00000
      6     -20.8694      1.00000
      7     -20.5396      1.00000
      8     -20.5070      1.00000
      9     -20.5001      1.00000
     10     -19.9628      1.00000
     11     -19.4416      1.00000
     12     -19.4190      1.00000
     13     -19.2403      1.00000
     14     -19.2331      1.00000
     15     -18.3766      1.00000
     16     -18.3413      1.00000
     17     -17.8593      1.00000
     18     -17.8429      1.00000
     19     -17.6918      1.00000
     20     -17.6557      1.00000
     21     -17.3727      1.00000
     22     -17.3582      1.00000
     23     -17.2674      1.00000
     24     -16.4137      1.00000
     25     -16.3904      1.00000
     26     -15.9055      1.00000
     27     -15.3436      1.00000
     28     -15.3388      1.00000
     29     -15.0312      1.00000
     30     -15.0216      1.00000
     31     -14.7761      1.00000
     32     -14.7742      1.00000
     33     -14.2387      1.00000
     34     -14.1872      1.00000
     35     -13.3888      1.00000
     36     -13.3336      1.00000
     37     -13.1111      1.00000
     38     -13.1032      1.00000
     39     -12.9186      1.00000
     40     -12.9128      1.00000
     41     -12.5452      1.00000
     42     -12.5378      1.00000
     43     -12.1343      1.00000
     44     -11.5135      1.00000
     45     -11.4691      1.00000
     46     -11.2446      1.00000
     47     -11.2130      1.00000
     48     -11.0874      1.00000
     49     -10.7073      1.00000
     50     -10.5954      1.00000
     51     -10.5099      1.00000
     52     -10.2520      1.00000
     53     -10.2480      1.00000
     54     -10.1222      1.00000
     55     -10.0539      1.00000
     56     -10.0393      1.00000
     57      -9.7853      1.00000
     58      -9.6879      1.00000
     59      -9.6742      1.00000
     60      -9.6380      1.00000
     61      -9.6283      1.00000
     62      -9.5859      1.00000
     63      -9.2961      1.00000
     64      -9.2842      1.00000
     65      -9.2527      1.00000
     66      -9.0661      1.00000
     67      -8.8949      1.00000
     68      -8.8843      1.00000
     69      -8.7187      1.00000
     70      -8.5821      1.00000
     71      -8.5258      1.00000
     72      -8.3511      1.00000
     73      -8.3049      1.00000
     74      -8.2430      1.00000
     75      -8.2386      1.00000
     76      -8.1938      1.00000
     77      -8.1817      1.00000
     78      -8.1695      1.00000
     79      -8.1083      1.00000
     80      -7.6901      1.00000
     81      -7.4188      1.00000
     82      -7.3453      1.00000
     83      -7.2584      1.00000
     84      -7.1697      1.00000
     85      -7.1112      1.00000
     86      -7.0043      1.00000
     87      -6.9042      1.00000
     88      -6.8475      1.00000
     89      -6.5411      1.00000
     90      -6.4996      1.00000
     91      -6.2138      1.00000
     92      -6.2009      1.00000
     93      -5.8947      1.00000
     94      -5.6742      1.00000
     95      -5.6085      1.00000
     96      -5.5806      1.00000
     97      -5.2532      1.00000
     98      -5.2316      1.00000
     99      -5.1650      1.00000
    100      -5.1348      1.00000
    101      -4.6003      1.00000
    102      -4.2506      1.00000
    103      -4.0466      1.00000
    104      -3.8850      1.00000
    105      -3.8428      1.00000
    106      -3.8010      1.00000
    107      -1.8072      0.00000
    108      -1.7801      0.00000
    109      -1.2255      0.00000
    110      -1.1763      0.00000
    111      -0.9736      0.00000
    112      -0.7340      0.00000
    113      -0.6503      0.00000
    114      -0.5937      0.00000
    115      -0.5497      0.00000
    116      -0.1521      0.00000
    117       0.1759      0.00000
    118       0.2880      0.00000
    119       0.7061      0.00000
    120       0.9499      0.00000
    121       1.1694      0.00000
    122       1.2782      0.00000
    123       1.3468      0.00000
    124       1.5132      0.00000
    125       1.6088      0.00000
    126       1.6290      0.00000
    127       1.6925      0.00000
    128       1.7747      0.00000
    129       1.8658      0.00000
    130       2.0824      0.00000
    131       2.1684      0.00000
    132       2.3224      0.00000
    133       2.3954      0.00000
    134       2.4257      0.00000
    135       2.5577      0.00000
    136       2.6256      0.00000
    137       2.6898      0.00000
    138       2.7505      0.00000
    139       2.8219      0.00000
    140       2.9114      0.00000
    141       3.0582      0.00000
    142       3.0623      0.00000
    143       3.1862      0.00000
    144       3.2845      0.00000
    145       3.3812      0.00000
    146       3.4172      0.00000
    147       3.4622      0.00000
    148       3.5517      0.00000
    149       3.5812      0.00000
    150       3.6366      0.00000
    151       3.6670      0.00000
    152       3.7018      0.00000
    153       3.7919      0.00000
    154       3.8049      0.00000
    155       3.8263      0.00000
    156       3.8959      0.00000
    157       3.9129      0.00000
    158       3.9818      0.00000
    159       4.1919      0.00000
    160       4.2366      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0398   -7.2558    3.9842   -1.1323   -0.1859   17.3774    0.4890   -0.8146    0.7716   -0.4766
x    -3.1254   -0.0255   -0.0211   -0.0256    0.0912   -3.0539    0.0299   -0.0244    0.0084    0.0018
x    -0.0954   -0.0028    0.0035   -0.0031    0.0021   -0.0242    0.0000    0.0000   -0.0001    0.0001
x    -0.0035   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0398    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0034    0.0000    0.0004    0.0007    0.0028   -0.0984   -0.0314    0.0620    0.0185
y     0.0230   -3.2428   -0.1794    0.1707   -2.4177   -0.6650
z   204.0398    1.7433    0.2898    0.0895   -0.0013    0.0775   -0.0019    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1048    0.0015   -0.0010   -0.0001    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0013   -0.0001    0.0001    0.0000
z    -0.0001    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  -16.6987
z     0.1381    0.2297   -0.0314    0.0576   -0.0902    0.0006
 total charge-density along one line
x   212.0000  -10.0869    5.9310   -1.9412   -0.4215   19.2966   -0.6603    0.2075    0.0668   -0.1062
x    -2.7054   -0.0092    0.0013   -0.0445    0.0968   -2.3452    0.0474   -0.0344    0.0118    0.0024
x    -0.0855   -0.0054    0.0083   -0.0079    0.0053   -0.0375    0.0000   -0.0001    0.0004   -0.0004
x    -0.0054    0.0000   -0.0002    0.0001    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  -10.0869    5.9310   -1.9412   -0.4215   19.2966   -0.6603    0.2075    0.0668   -0.1062
y    -2.7054   -0.0092    0.0013   -0.0445    0.0968   -2.3452    0.0474   -0.0344    0.0118    0.0024
y    -0.0855   -0.0054    0.0083   -0.0079    0.0053   -0.0375    0.0000   -0.0001    0.0004   -0.0004
y    -0.0054    0.0000   -0.0002    0.0001    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 -205.3066  188.8734 -170.1702  154.0909 -140.4125  126.5077 -111.0260   94.7548  -79.0891
z    64.7225  -51.7873   40.5545  -31.5073   24.7890  -19.8651   15.8653  -12.2164    8.9099   -6.2239
z     4.2930   -2.9606    1.9620   -1.1534    0.5429   -0.1578   -0.0604    0.2212   -0.3839    0.5189
z    -0.5685    0.5249   -0.4411    0.3768   -0.3479    0.3294   -0.2950    0.2451   -0.1976    0.1643
z    -0.1415    0.1197   -0.0959    0.0748   -0.0611    0.0533   -0.0469    0.0391   -0.0314    0.0258
z    -0.0227    0.0203   -0.0173    0.0141   -0.0113    0.0093   -0.0076    0.0058   -0.0043    0.0032
z    -0.0022    0.0013   -0.0004   -0.0002    0.0004   -0.0004    0.0005   -0.0008    0.0009   -0.0007
z     0.0004   -0.0002    0.0001   -0.0001    0.0000    0.0002   -0.0003    0.0003   -0.0003    0.0003
z    -0.0003    0.0003   -0.0002    0.0002   -0.0002    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001
z     0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 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
-10.941   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.269   0.000  -0.101   0.000   0.000   0.239   0.000
  0.041   0.000 -11.245   0.000  -0.024  -0.006   0.000   0.238
  0.000  -0.101   0.000 -11.153   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.938   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.238   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.226   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.199   0.000   0.000   0.000
  0.036   0.000   0.100   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.026   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.941   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.269   0.000  -0.101   0.000   0.000   0.239   0.000
  0.041   0.000 -11.245   0.000  -0.024  -0.006   0.000   0.238
  0.000  -0.101   0.000 -11.153   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.938   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.238   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.226   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.199   0.000   0.000   0.000
  0.036   0.000   0.100   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.026   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.960   0.000  -0.027   0.000   0.002   0.021   0.000   0.057   0.000  -0.014  -0.026   0.025   0.000  -0.001   0.000   0.000
  0.000   1.586   0.000  -0.147   0.000   0.000   0.594   0.000   0.259   0.000   0.000   0.000   0.160   0.000   0.106  -0.035
 -0.027   0.000   1.788   0.000   0.019   0.043   0.000   0.355   0.000  -0.026  -0.233  -0.044   0.000   0.096   0.000   0.000
  0.000  -0.147   0.000   1.755   0.000   0.000   0.259   0.000   0.294   0.000   0.000   0.000   0.108   0.000   0.038   0.005
  0.002   0.000   0.019   0.000   1.966  -0.014   0.000  -0.035   0.000   0.003   0.010  -0.015   0.000   0.003   0.000   0.000
  0.021   0.000   0.043   0.000  -0.014   0.063   0.000   0.101   0.000  -0.024   0.192  -0.052   0.000   0.116   0.000   0.000
  0.000   0.594   0.000   0.259   0.000   0.000   0.329   0.000   0.106   0.000   0.000   0.000   0.057   0.000   0.066  -0.011
  0.057   0.000   0.355   0.000  -0.035   0.101   0.000   0.564   0.000  -0.057   0.702  -0.293   0.000   0.087   0.000   0.000
  0.000   0.259   0.000   0.294   0.000   0.000   0.106   0.000   0.207   0.000   0.000   0.000   0.065   0.000  -0.020  -0.006
 -0.014   0.000  -0.026   0.000   0.003  -0.024   0.000  -0.057   0.000   0.036  -0.109   0.030   0.000  -0.068   0.000   0.000
 -0.026   0.000  -0.233   0.000   0.010   0.192   0.000   0.702   0.000  -0.109   1.351  -0.433   0.000   0.266   0.000   0.000
  0.025   0.000  -0.044   0.000  -0.015  -0.052   0.000  -0.293   0.000   0.030  -0.433   0.192   0.000  -0.034   0.000   0.000
  0.000   0.160   0.000   0.108   0.000   0.000   0.057   0.000   0.065   0.000   0.000   0.000   0.043   0.000   0.012  -0.004
 -0.001   0.000   0.096   0.000   0.003   0.116   0.000   0.087   0.000  -0.068   0.266  -0.034   0.000   0.310   0.000   0.000
  0.000   0.106   0.000   0.038   0.000   0.000   0.066   0.000  -0.020   0.000   0.000   0.000   0.012   0.000   0.031  -0.002
  0.000  -0.035   0.000   0.005   0.000   0.000  -0.011   0.000  -0.006   0.000   0.000   0.000  -0.004   0.000  -0.002   0.001
  0.001   0.000  -0.037   0.000  -0.001  -0.005   0.000  -0.009   0.000   0.003  -0.006   0.000   0.000  -0.014   0.000   0.000
  0.000   0.005   0.000  -0.041   0.000   0.000  -0.006   0.000  -0.004   0.000   0.000   0.000  -0.002   0.000  -0.002   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        0.639   0.277   8.026   8.942
  2        0.514   0.028   0.000   0.542
  3        0.514   0.028   0.000   0.542
  4        0.864   1.783   0.000   2.647
  5        0.864   1.783   0.000   2.646
  6        0.864   1.782   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   1.783   0.000   2.647
 10        0.864   1.784   0.000   2.647
 11        0.863   1.783   0.000   2.646
 12        0.864   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.646
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.863   1.777   0.000   2.640
 17        0.856   1.773   0.000   2.629
 18        0.864   1.784   0.000   2.648
 19        0.864   1.782   0.000   2.646
 20        0.864   1.782   0.000   2.646
 21        0.863   1.781   0.000   2.644
 22        0.863   1.776   0.000   2.639
 23        0.863   1.783   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   1.783   0.000   2.647
 29        0.864   1.783   0.000   2.647
 30        0.864   1.783   0.000   2.647
 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   1.782   0.000   2.646
 35        0.863   1.783   0.000   2.646
 36        0.863   1.776   0.000   2.639
 37        0.863   1.781   0.000   2.644
 38        0.864   1.782   0.000   2.646
 39        0.864   1.784   0.000   2.648
 40        0.864   1.784   0.000   2.648
 41        0.856   1.773   0.000   2.629
 42        0.863   1.777   0.000   2.640
 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   2.646
 46        0.864   1.785   0.000   2.648
 47        0.863   1.783   0.000   2.646
 48        0.864   1.784   0.000   2.647
 49        0.864   1.783   0.000   2.647
 50        0.864   1.783   0.000   2.647
 51        0.864   1.784   0.000   2.648
 52        0.864   1.782   0.000   2.646
 53        0.864   1.783   0.000   2.646
------------------------------------------------
tot       44.832  89.436   8.026 142.295
 


 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   90.34: CPU time   45.49
    FORLOC:  VPU time    1.09: CPU time    1.10
    FORNL :  VPU time  364.25: CPU time  182.56
    STRESS:  VPU time 1096.10: CPU time  550.74
    FORCOR:  VPU time    7.43: CPU time    7.43
    FORHAR:  VPU time    1.97: CPU time    1.97
    MIXING:  VPU time    0.13: CPU time    0.14
 d Force = 0.4099432E-06[-0.376E-06, 0.120E-05]  d Energy = 0.7621984E-06-0.352E-06
 d Force = 0.1136678E+00[ 0.114E+00, 0.114E+00]  d Ewald  =-0.2286929E+00 0.342E+00


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.644787 eV

  energy  without entropy=     -471.644787  energy(sigma->0) =     -471.644787
 

  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    40731.50  40747.86 -47432.86     14.17      0.00      0.00
  Hartree  40197.33  40201.08 -39451.76      3.24      0.00      0.00
  E(xc)     -779.75   -779.55   -807.27      0.17      0.00      0.00
  Local   -83222.02 -83236.07  84202.05    -12.16      0.00      0.00
  n-local   -215.79   -215.69   -203.81     -0.16      0.00      0.00
  augment     22.10     20.53     17.35     -1.35      0.00      0.00
  Kinetic   3168.72   3171.48   3582.19     -6.08      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.20     -0.20     -0.18      0.00      0.00      0.00
  in kB       -0.12     -0.12     -0.11      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
    12.347533488  0.001610417  0.000000000     0.080981738  0.046740814  0.000000000
    -6.172378724 10.694078935  0.000000000    -0.000012195  0.093502651  0.000000000
     0.000000000  0.000000000 19.976926779     0.000000000  0.000000000  0.050057750

  length of vectors
    12.347533593 12.347533494 19.976926779     0.093502651  0.093502652  0.050057750


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.409E-05 -.457E-04 -.960E+03   0.434E-05 -.275E-04 0.968E+03   0.842E-21 -.109E-22 -.787E+01   -.308E-07 0.150E-07 0.541E-02
   -.175E+02 -.304E+02 -.136E+03   0.184E+02 0.318E+02 0.139E+03   -.828E+00 -.143E+01 -.258E+01   -.835E-04 -.146E-03 -.121E-03
   0.175E+02 0.304E+02 -.136E+03   -.184E+02 -.318E+02 0.139E+03   0.828E+00 0.143E+01 -.258E+01   0.835E-04 0.146E-03 -.121E-03
   -.197E+01 0.114E+01 0.169E+02   0.198E+01 -.114E+01 -.169E+02   -.105E-01 0.608E-02 -.717E-02   -.154E-03 0.859E-04 0.410E-03
   0.582E+01 0.686E+01 0.196E+02   -.583E+01 -.689E+01 -.196E+02   0.513E-02 0.356E-01 -.203E-01   -.511E-03 0.681E-03 0.446E-03
   0.112E+02 0.506E+01 0.183E+02   -.113E+02 -.507E+01 -.183E+02   0.278E-01 0.997E-02 -.554E-01   0.920E-04 -.180E-03 -.131E-04
   0.452E+01 -.101E+01 0.164E+02   -.454E+01 0.102E+01 -.164E+02   0.206E-01 -.183E-01 -.239E-02   0.138E-03 -.367E-03 -.208E-03
   -.293E+01 -.242E+01 0.149E+02   0.294E+01 0.243E+01 -.149E+02   -.153E-01 -.148E-01 -.206E-02   0.272E-05 0.268E-03 0.166E-03
   0.630E+00 0.374E+01 0.149E+02   -.637E+00 -.377E+01 -.149E+02   0.513E-02 0.206E-01 -.206E-02   -.236E-03 -.143E-03 0.162E-03
   0.274E+01 0.182E+02 0.246E+02   -.275E+01 -.184E+02 -.246E+02   0.638E-02 0.107E+00 -.895E-02   -.212E-03 -.893E-03 0.236E-04
   0.215E+02 0.226E+02 0.399E+02   -.216E+02 -.228E+02 -.399E+02   0.115E+00 0.232E+00 -.160E-01   0.428E-05 0.941E-03 -.843E-03
   0.265E+02 -.453E+01 0.270E+02   -.268E+02 0.465E+01 -.270E+02   0.237E+00 -.117E+00 -.567E-01   -.421E-03 0.639E-03 -.700E-03
   0.921E+01 -.532E+01 0.155E+02   -.923E+01 0.533E+01 -.155E+02   0.151E-01 -.874E-02 0.953E-03   -.979E-03 0.559E-03 -.410E-04
   0.314E+01 -.341E+01 0.164E+02   -.316E+01 0.342E+01 -.164E+02   0.261E-01 -.865E-02 -.239E-02   0.385E-03 0.598E-04 -.216E-03
   -.606E+01 0.132E+02 0.201E+02   0.606E+01 -.133E+02 -.201E+02   -.423E-02 0.727E-01 -.872E-02   0.339E-03 -.315E-03 -.475E-03
   -.123E+02 0.335E+02 0.461E+02   0.123E+02 -.342E+02 -.465E+02   -.961E-01 0.681E+00 0.350E+00   -.770E-03 -.431E-03 -.797E-03
   0.265E+02 -.153E+02 0.697E+02   -.275E+02 0.159E+02 -.718E+02   0.969E+00 -.560E+00 0.210E+01   -.804E-03 0.461E-03 0.110E-04
   0.172E+02 -.207E+02 0.270E+02   -.174E+02 0.209E+02 -.270E+02   0.220E+00 -.146E+00 -.567E-01   -.766E-03 0.368E-04 -.705E-03
   0.124E+01 -.123E+02 0.183E+02   -.125E+01 0.123E+02 -.183E+02   0.526E-02 -.291E-01 -.554E-01   0.205E-03 0.920E-05 -.186E-04
   -.388E+01 0.153E+01 0.144E+02   0.388E+01 -.154E+01 -.143E+02   -.745E-02 0.382E-02 -.405E-01   0.178E-03 0.504E-03 -.926E-05
   -.182E+02 0.105E+02 0.211E+02   0.182E+02 -.105E+02 -.210E+02   -.661E-01 0.382E-01 -.126E+00   -.754E-03 0.439E-03 -.249E-03
   -.351E+02 -.614E+01 0.461E+02   0.358E+02 0.640E+01 -.465E+02   -.638E+00 -.257E+00 0.350E+00   -.882E-05 0.882E-03 -.794E-03
   -.883E+01 -.299E+02 0.399E+02   0.896E+01 0.301E+02 -.399E+02   -.143E+00 -.216E+00 -.160E-01   -.810E-03 -.479E-03 -.845E-03
   -.303E+01 -.847E+01 0.196E+02   0.306E+01 0.849E+01 -.196E+02   -.282E-01 -.222E-01 -.203E-01   -.843E-03 0.100E-03 0.445E-03
   0.128E+01 -.738E+00 0.146E+02   -.128E+01 0.738E+00 -.146E+02   -.275E-02 0.159E-02 -.316E-01   -.304E-03 0.177E-03 0.276E-03
   -.327E+01 0.259E+01 0.144E+02   0.327E+01 -.259E+01 -.143E+02   -.704E-02 0.454E-02 -.405E-01   -.345E-03 -.402E-03 -.449E-05
   -.145E+02 -.135E+01 0.201E+02   0.145E+02 0.139E+01 -.201E+02   -.651E-01 -.327E-01 -.872E-02   0.445E-03 -.138E-03 -.467E-03
   -.144E+02 -.115E+02 0.246E+02   0.145E+02 0.116E+02 -.246E+02   -.892E-01 -.589E-01 -.895E-02   0.669E-03 0.625E-03 0.265E-04
   0.303E+01 0.847E+01 0.196E+02   -.306E+01 -.849E+01 -.196E+02   0.282E-01 0.222E-01 -.203E-01   0.843E-03 -.100E-03 0.445E-03
   0.144E+02 0.115E+02 0.246E+02   -.145E+02 -.116E+02 -.246E+02   0.892E-01 0.589E-01 -.895E-02   -.669E-03 -.625E-03 0.265E-04
   0.145E+02 0.135E+01 0.201E+02   -.145E+02 -.139E+01 -.201E+02   0.651E-01 0.327E-01 -.872E-02   -.444E-03 0.138E-03 -.467E-03
   0.327E+01 -.259E+01 0.144E+02   -.327E+01 0.259E+01 -.143E+02   0.704E-02 -.454E-02 -.405E-01   0.345E-03 0.402E-03 -.450E-05
   -.128E+01 0.738E+00 0.146E+02   0.128E+01 -.737E+00 -.146E+02   0.275E-02 -.159E-02 -.316E-01   0.304E-03 -.177E-03 0.276E-03
   -.124E+01 0.123E+02 0.183E+02   0.125E+01 -.123E+02 -.183E+02   -.526E-02 0.291E-01 -.554E-01   -.205E-03 -.925E-05 -.186E-04
   0.883E+01 0.299E+02 0.399E+02   -.896E+01 -.301E+02 -.399E+02   0.143E+00 0.216E+00 -.160E-01   0.809E-03 0.479E-03 -.845E-03
   0.351E+02 0.614E+01 0.461E+02   -.358E+02 -.641E+01 -.465E+02   0.638E+00 0.257E+00 0.350E+00   0.878E-05 -.882E-03 -.794E-03
   0.182E+02 -.105E+02 0.211E+02   -.182E+02 0.105E+02 -.210E+02   0.661E-01 -.382E-01 -.126E+00   0.754E-03 -.439E-03 -.250E-03
   0.388E+01 -.153E+01 0.144E+02   -.388E+01 0.154E+01 -.143E+02   0.745E-02 -.382E-02 -.405E-01   -.178E-03 -.504E-03 -.926E-05
   -.314E+01 0.341E+01 0.164E+02   0.316E+01 -.342E+01 -.164E+02   -.261E-01 0.865E-02 -.239E-02   -.385E-03 -.598E-04 -.216E-03
   -.172E+02 0.207E+02 0.270E+02   0.174E+02 -.209E+02 -.270E+02   -.220E+00 0.146E+00 -.567E-01   0.766E-03 -.368E-04 -.705E-03
   -.265E+02 0.153E+02 0.697E+02   0.275E+02 -.159E+02 -.718E+02   -.969E+00 0.560E+00 0.210E+01   0.803E-03 -.461E-03 0.110E-04
   0.123E+02 -.335E+02 0.461E+02   -.123E+02 0.342E+02 -.465E+02   0.961E-01 -.681E+00 0.350E+00   0.770E-03 0.431E-03 -.797E-03
   0.606E+01 -.132E+02 0.201E+02   -.606E+01 0.133E+02 -.201E+02   0.423E-02 -.727E-01 -.872E-02   -.339E-03 0.315E-03 -.475E-03
   -.630E+00 -.374E+01 0.149E+02   0.637E+00 0.377E+01 -.149E+02   -.513E-02 -.206E-01 -.206E-02   0.237E-03 0.143E-03 0.162E-03
   -.921E+01 0.532E+01 0.155E+02   0.923E+01 -.533E+01 -.155E+02   -.151E-01 0.874E-02 0.953E-03   0.979E-03 -.559E-03 -.410E-04
   -.265E+02 0.453E+01 0.270E+02   0.268E+02 -.465E+01 -.270E+02   -.237E+00 0.117E+00 -.567E-01   0.421E-03 -.639E-03 -.700E-03
   -.215E+02 -.226E+02 0.399E+02   0.216E+02 0.228E+02 -.399E+02   -.115E+00 -.232E+00 -.160E-01   -.434E-05 -.941E-03 -.843E-03
   -.274E+01 -.182E+02 0.246E+02   0.275E+01 0.184E+02 -.246E+02   -.638E-02 -.107E+00 -.895E-02   0.212E-03 0.893E-03 0.236E-04
   0.197E+01 -.114E+01 0.169E+02   -.198E+01 0.114E+01 -.169E+02   0.105E-01 -.608E-02 -.717E-02   0.154E-03 -.859E-04 0.410E-03
   0.293E+01 0.242E+01 0.149E+02   -.294E+01 -.243E+01 -.149E+02   0.153E-01 0.148E-01 -.206E-02   -.269E-05 -.268E-03 0.166E-03
   -.452E+01 0.101E+01 0.164E+02   0.454E+01 -.102E+01 -.164E+02   -.206E-01 0.183E-01 -.239E-02   -.138E-03 0.367E-03 -.208E-03
   -.112E+02 -.506E+01 0.183E+02   0.113E+02 0.507E+01 -.183E+02   -.278E-01 -.997E-02 -.554E-01   -.920E-04 0.180E-03 -.131E-04
   -.582E+01 -.686E+01 0.196E+02   0.583E+01 0.689E+01 -.196E+02   -.513E-02 -.356E-01 -.203E-01   0.511E-03 -.681E-03 0.446E-03
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.305E-03 0.859E+01   -.288E-12 0.728E-13 -.213E-13   0.418E-15 0.187E-15 -.860E+01   -.478E-07 0.304E-07 -.368E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85292      6.06068     12.33314         0.000000      0.000000      0.018786
      2.26039      6.76645     13.65256         0.003534      0.006122      0.006512
      1.44544      5.35490     13.65256        -0.003534     -0.006122      0.006512
      0.00058     -0.00034      9.95779        -0.002697      0.001557     -0.003784
     11.11229      2.13917      9.95957        -0.003594      0.007697     -0.003679
      9.87666      4.27876      9.97119         0.005403      0.001725     -0.001029
      8.64338      6.41812      9.97016         0.001750     -0.002363      0.000126
     -4.93627      8.55533      9.96593        -0.000053      0.002509     -0.002038
      2.47026     -0.00113      9.96593        -0.002199     -0.001208     -0.002038
      1.23477      2.13612      9.97086        -0.005258     -0.008334     -0.001073
     -0.00397      4.27467      9.99910        -0.003590      0.011367      0.002466
     -1.23848      6.41582     10.00503        -0.000006      0.005847      0.001551
     -2.46707      8.55482      9.97841        -0.007179      0.004145     -0.001293
      4.93860      0.00124      9.97016         0.002921     -0.000334      0.000126
      3.70486      2.13647      9.97805         0.002282     -0.005400      0.001200
      2.47084      4.26298     10.04266        -0.010880      0.000920      0.000961
      1.22848      6.42120     10.11457        -0.011681      0.006744     -0.003404
     -0.00035      8.56032     10.00503        -0.005066     -0.002918      0.001551
      7.40798      0.00287      9.97119         0.001207     -0.005542     -0.001029
      6.17347      2.13996      9.97128        -0.001581      0.003986     -0.001020
      4.94046      4.27808      9.99927        -0.006757      0.003901      0.000432
      3.71873      6.42439     10.04266        -0.006237      0.008963      0.000961
      2.47120      8.56179      9.99910        -0.011639     -0.002574      0.002466
      9.87874      0.00258      9.95957        -0.008463     -0.000736     -0.003679
      8.64277      2.14055      9.96241        -0.002760      0.001593     -0.002786
      7.40863      4.27933      9.97128        -0.004243     -0.000624     -0.001020
      6.17735      6.41895      9.97805         0.005817      0.000724      0.001200
      4.94261      8.55829      9.97086         0.004588      0.008720     -0.001073
     -0.00052      1.42469      9.95957         0.008463      0.000736     -0.003679
     -1.23678      3.56306      9.97086        -0.004588     -0.008720     -0.001073
     -2.47151      5.70240      9.97805        -0.005817     -0.000724      0.001200
     -3.70280      7.84202      9.97128         0.004243      0.000624     -0.001020
     -4.93694      9.98080      9.96241         0.002760     -0.001593     -0.002786
      2.47023      1.42440      9.97119        -0.001207      0.005542     -0.001029
      1.23464      3.55957      9.99910         0.011639      0.002574      0.002466
     -0.01290      5.69696     10.04266         0.006237     -0.008963      0.000961
     -1.23463      7.84327      9.99927         0.006757     -0.003901      0.000432
     -2.46763      9.98139      9.97128         0.001581     -0.003986     -0.001020
      4.93962      1.42603      9.97016        -0.002921      0.000334      0.000126
      3.70618      3.56103     10.00503         0.005066      0.002918      0.001551
      2.47736      5.70016     10.11457         0.011681     -0.006744     -0.003404
      1.23499      7.85838     10.04266         0.010880     -0.000920      0.000961
      0.00097      9.98488      9.97805        -0.002282      0.005400      0.001200
      7.40795      1.42840      9.96593         0.002199      0.001208     -0.002038
      6.17290      3.56653      9.97841         0.007179     -0.004145     -0.001293
      4.94431      5.70553     10.00503         0.000006     -0.005847      0.001551
      3.70980      7.84668      9.99910         0.003590     -0.011367      0.002466
      2.47106      9.98524      9.97086         0.005258      0.008334     -0.001073
      9.87763      1.42761      9.95779         0.002697     -0.001557     -0.003784
      8.64210      3.56602      9.96593         0.000053     -0.002509     -0.002038
      7.40999      5.70484      9.97016        -0.001750      0.002363      0.000126
      6.17670      7.84420      9.97119        -0.005403     -0.001725     -0.001029
      4.94107      9.98380      9.95957         0.003594     -0.007697     -0.003679
 -----------------------------------------------------------------------------------
    total drift:                               -0.001812      0.000305     -0.008792


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




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


    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  150.55: CPU time   76.35
     LOOP+:  VPU time 4126.82: CPU time 2107.40


----------------------------------------- Iteration   16(   1)  ---------------------------------------


    POTLOK:  VPU time    7.79: CPU time    7.74
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1329.25: CPU time  678.67
 BZINTS: Fermi energy: -3.152000;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   45.42
    MIXING:  VPU time    0.12: CPU time    0.12
    ------------------------------------------
      LOOP:  VPU time 1427.62: CPU time  732.28

 eigenvalue-minimisations  :  5264
 total energy-change (2. order) :-0.4716448E+03  (-0.6216033E-04)
 number of electron  212.0000029 magnetization    0.0000000
 augmentation part     7.9603375 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.53343E-03    rms(broyden)= 0.53322E-03
  rms(prec ) = 0.57313E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34046.90794684
  -1/2 Hartree   DENC   =    -40946.91124123
  -V(xc)+E(xc)   XCENC  =       726.61061464
  PAW double counting   =      4092.91718658    -4131.29991726
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.30924692
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64480375 eV

  energy without entropy =     -471.64480375  energy(sigma->0) =     -471.64480375


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




----------------------------------------- Iteration   16(   2)  ---------------------------------------


    POTLOK:  VPU time    7.75: CPU time    7.74
    SETDIJ:  VPU time    0.28: CPU time    0.29
    EDDAV :  VPU time 1065.89: CPU time  544.87
 BZINTS: Fermi energy: -3.152757;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1073.98: CPU time  552.93

 eigenvalue-minimisations  :  3800
 total energy-change (2. order) :-0.2997567E-06  (-0.1208450E-05)
 number of electron  212.0000029 magnetization    0.0000000
 augmentation part     7.9603375 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34046.90794684
  -1/2 Hartree   DENC   =    -40946.93066444
  -V(xc)+E(xc)   XCENC  =       726.61144496
  PAW double counting   =      4092.91839128    -4131.30083045
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.29094584
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64480405 eV

  energy without entropy =     -471.64480405  energy(sigma->0) =     -471.64480405


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




 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 -58.5402       2 -39.9820       3 -39.9820       4 -58.2442       5 -58.2487
       6 -58.2561       7 -58.2469       8 -58.2451       9 -58.2451      10 -58.2609
      11 -58.3157      12 -58.2927      13 -58.2501      14 -58.2469      15 -58.2579
      16 -58.4383      17 -58.7323      18 -58.2927      19 -58.2561      20 -58.2505
      21 -58.2777      22 -58.4384      23 -58.3158      24 -58.2487      25 -58.2439
      26 -58.2505      27 -58.2579      28 -58.2609      29 -58.2486      30 -58.2608
      31 -58.2578      32 -58.2504      33 -58.2438      34 -58.2560      35 -58.3156
      36 -58.4383      37 -58.2776      38 -58.2504      39 -58.2468      40 -58.2926
      41 -58.7322      42 -58.4383      43 -58.2578      44 -58.2450      45 -58.2500
      46 -58.2926      47 -58.3157      48 -58.2608      49 -58.2441      50 -58.2450
      51 -58.2468      52 -58.2560      53 -58.2486
 
 
 
 E-fermi :  -3.1528     XC(G=0):  -2.3401     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     -22.3567      1.00000
      2     -21.5372      1.00000
      3     -21.4073      1.00000
      4     -21.4063      1.00000
      5     -21.3751      1.00000
      6     -21.3659      1.00000
      7     -21.3586      1.00000
      8     -19.6469      1.00000
      9     -19.5722      1.00000
     10     -19.5652      1.00000
     11     -19.5585      1.00000
     12     -19.5406      1.00000
     13     -19.5378      1.00000
     14     -18.7286      1.00000
     15     -18.6798      1.00000
     16     -18.6723      1.00000
     17     -18.6586      1.00000
     18     -18.6432      1.00000
     19     -18.6419      1.00000
     20     -16.5862      1.00000
     21     -16.5263      1.00000
     22     -16.5239      1.00000
     23     -16.5116      1.00000
     24     -16.4870      1.00000
     25     -16.4854      1.00000
     26     -15.5598      1.00000
     27     -15.5267      1.00000
     28     -15.5258      1.00000
     29     -15.4993      1.00000
     30     -15.4948      1.00000
     31     -15.4886      1.00000
     32     -14.2068      1.00000
     33     -14.1801      1.00000
     34     -14.1677      1.00000
     35     -14.1650      1.00000
     36     -14.1599      1.00000
     37     -14.1490      1.00000
     38     -11.8848      1.00000
     39     -11.8088      1.00000
     40     -11.7922      1.00000
     41     -11.7917      1.00000
     42     -11.7886      1.00000
     43     -11.7824      1.00000
     44     -11.7047      1.00000
     45     -11.6985      1.00000
     46     -11.6729      1.00000
     47     -11.6578      1.00000
     48     -11.6578      1.00000
     49     -11.6509      1.00000
     50     -10.6747      1.00000
     51     -10.3293      1.00000
     52     -10.3210      1.00000
     53     -10.3056      1.00000
     54     -10.3047      1.00000
     55     -10.2911      1.00000
     56     -10.2780      1.00000
     57      -9.9283      1.00000
     58      -9.3731      1.00000
     59      -9.3595      1.00000
     60      -9.3003      1.00000
     61      -9.2920      1.00000
     62      -9.2852      1.00000
     63      -9.0934      1.00000
     64      -9.0540      1.00000
     65      -9.0498      1.00000
     66      -9.0261      1.00000
     67      -9.0076      1.00000
     68      -9.0021      1.00000
     69      -9.0011      1.00000
     70      -8.9948      1.00000
     71      -8.9923      1.00000
     72      -8.9715      1.00000
     73      -8.9642      1.00000
     74      -8.9548      1.00000
     75      -8.4989      1.00000
     76      -7.5148      1.00000
     77      -7.4114      1.00000
     78      -7.4098      1.00000
     79      -7.4006      1.00000
     80      -7.3833      1.00000
     81      -7.3647      1.00000
     82      -7.3406      1.00000
     83      -7.3095      1.00000
     84      -7.2694      1.00000
     85      -7.2065      1.00000
     86      -7.1804      1.00000
     87      -7.1801      1.00000
     88      -7.0750      1.00000
     89      -6.5091      1.00000
     90      -6.4617      1.00000
     91      -6.3554      1.00000
     92      -6.2934      1.00000
     93      -6.2879      1.00000
     94      -6.2864      1.00000
     95      -5.8979      1.00000
     96      -5.8842      1.00000
     97      -5.0487      1.00000
     98      -4.9377      1.00000
     99      -4.5396      1.00000
    100      -4.3414      1.00000
    101      -4.3181      1.00000
    102      -4.3174      1.00000
    103      -4.1153      1.00000
    104      -3.9127      1.00000
    105      -3.9008      1.00000
    106      -3.8343      1.00000
    107      -1.6821      0.00000
    108      -1.6688      0.00000
    109      -1.5359      0.00000
    110      -1.5352      0.00000
    111      -1.5224      0.00000
    112      -1.5086      0.00000
    113      -0.5858      0.00000
    114       0.1335      0.00000
    115       0.2069      0.00000
    116       0.3246      0.00000
    117       0.3266      0.00000
    118       0.3338      0.00000
    119       0.4960      0.00000
    120       0.5962      0.00000
    121       1.2590      0.00000
    122       1.2736      0.00000
    123       1.5293      0.00000
    124       1.7978      0.00000
    125       1.8041      0.00000
    126       1.8072      0.00000
    127       1.8122      0.00000
    128       1.9458      0.00000
    129       1.9803      0.00000
    130       2.0319      0.00000
    131       2.0460      0.00000
    132       2.0512      0.00000
    133       2.0550      0.00000
    134       2.0602      0.00000
    135       2.3073      0.00000
    136       2.3270      0.00000
    137       2.6144      0.00000
    138       2.6212      0.00000
    139       2.6509      0.00000
    140       2.7308      0.00000
    141       2.8622      0.00000
    142       3.0289      0.00000
    143       3.0538      0.00000
    144       3.0937      0.00000
    145       3.1014      0.00000
    146       3.1057      0.00000
    147       3.1094      0.00000
    148       3.2362      0.00000
    149       3.4533      0.00000
    150       3.5403      0.00000
    151       3.7906      0.00000
    152       3.9477      0.00000
    153       3.9571      0.00000
    154       3.9622      0.00000
    155       3.9700      0.00000
    156       3.9986      0.00000
    157       4.1830      0.00000
    158       4.2683      0.00000
    159       4.2881      0.00000
    160       4.2889      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3201      1.00000
      2     -21.7616      1.00000
      3     -21.5709      1.00000
      4     -21.5380      1.00000
      5     -21.2080      1.00000
      6     -21.1631      1.00000
      7     -20.9873      1.00000
      8     -20.1020      1.00000
      9     -20.0578      1.00000
     10     -19.5465      1.00000
     11     -19.5218      1.00000
     12     -19.3493      1.00000
     13     -19.0250      1.00000
     14     -18.9898      1.00000
     15     -18.9814      1.00000
     16     -18.9693      1.00000
     17     -18.2975      1.00000
     18     -18.2782      1.00000
     19     -17.9522      1.00000
     20     -17.0099      1.00000
     21     -16.9598      1.00000
     22     -16.8787      1.00000
     23     -16.8687      1.00000
     24     -16.4050      1.00000
     25     -16.3901      1.00000
     26     -15.5525      1.00000
     27     -15.5358      1.00000
     28     -15.1980      1.00000
     29     -15.1692      1.00000
     30     -15.1148      1.00000
     31     -15.0279      1.00000
     32     -15.0026      1.00000
     33     -14.6365      1.00000
     34     -14.6246      1.00000
     35     -13.6676      1.00000
     36     -13.6522      1.00000
     37     -13.1697      1.00000
     38     -12.5514      1.00000
     39     -12.5174      1.00000
     40     -12.3912      1.00000
     41     -12.3780      1.00000
     42     -12.0576      1.00000
     43     -12.0346      1.00000
     44     -11.6596      1.00000
     45     -11.6174      1.00000
     46     -11.1810      1.00000
     47     -11.1566      1.00000
     48     -10.9653      1.00000
     49     -10.9408      1.00000
     50     -10.8741      1.00000
     51     -10.8374      1.00000
     52     -10.6033      1.00000
     53     -10.0938      1.00000
     54     -10.0886      1.00000
     55     -10.0467      1.00000
     56      -9.9706      1.00000
     57      -9.6548      1.00000
     58      -9.6291      1.00000
     59      -9.5923      1.00000
     60      -9.5295      1.00000
     61      -9.5113      1.00000
     62      -9.4792      1.00000
     63      -9.2646      1.00000
     64      -9.2412      1.00000
     65      -9.2211      1.00000
     66      -9.1665      1.00000
     67      -9.0686      1.00000
     68      -9.0468      1.00000
     69      -9.0410      1.00000
     70      -8.8829      1.00000
     71      -8.8066      1.00000
     72      -8.5781      1.00000
     73      -8.5228      1.00000
     74      -8.4605      1.00000
     75      -8.0350      1.00000
     76      -7.8117      1.00000
     77      -7.8072      1.00000
     78      -7.7929      1.00000
     79      -7.7005      1.00000
     80      -7.6905      1.00000
     81      -7.3638      1.00000
     82      -7.2735      1.00000
     83      -7.2648      1.00000
     84      -7.2158      1.00000
     85      -7.1729      1.00000
     86      -7.0089      1.00000
     87      -6.9477      1.00000
     88      -6.7473      1.00000
     89      -6.6725      1.00000
     90      -6.5941      1.00000
     91      -6.5594      1.00000
     92      -6.0505      1.00000
     93      -6.0474      1.00000
     94      -6.0220      1.00000
     95      -5.9590      1.00000
     96      -5.7367      1.00000
     97      -5.1567      1.00000
     98      -4.9903      1.00000
     99      -4.7190      1.00000
    100      -4.6112      1.00000
    101      -4.4403      1.00000
    102      -4.3741      1.00000
    103      -4.1224      1.00000
    104      -3.8682      1.00000
    105      -3.8341      1.00000
    106      -3.7902      1.00000
    107      -1.7856      0.00000
    108      -1.7387      0.00000
    109      -1.3947      0.00000
    110      -1.3464      0.00000
    111      -1.2640      0.00000
    112      -1.2254      0.00000
    113      -0.7452      0.00000
    114      -0.3790      0.00000
    115      -0.2206      0.00000
    116      -0.0184      0.00000
    117       0.5905      0.00000
    118       0.7367      0.00000
    119       0.7642      0.00000
    120       1.0497      0.00000
    121       1.1418      0.00000
    122       1.2504      0.00000
    123       1.2717      0.00000
    124       1.4143      0.00000
    125       1.4800      0.00000
    126       1.5875      0.00000
    127       1.7584      0.00000
    128       1.8416      0.00000
    129       1.8974      0.00000
    130       1.9591      0.00000
    131       2.1074      0.00000
    132       2.2365      0.00000
    133       2.2504      0.00000
    134       2.2980      0.00000
    135       2.4907      0.00000
    136       2.6177      0.00000
    137       2.6410      0.00000
    138       2.7685      0.00000
    139       2.8046      0.00000
    140       2.8594      0.00000
    141       2.8691      0.00000
    142       2.8937      0.00000
    143       2.9605      0.00000
    144       3.0849      0.00000
    145       3.2829      0.00000
    146       3.3108      0.00000
    147       3.3798      0.00000
    148       3.4109      0.00000
    149       3.4703      0.00000
    150       3.5931      0.00000
    151       3.6417      0.00000
    152       3.6735      0.00000
    153       3.7119      0.00000
    154       3.9102      0.00000
    155       3.9450      0.00000
    156       3.9839      0.00000
    157       4.0871      0.00000
    158       4.2076      0.00000
    159       4.2499      0.00000
    160       4.2996      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2145      1.00000
      2     -22.0081      1.00000
      3     -21.6495      1.00000
      4     -21.6124      1.00000
      5     -20.9133      1.00000
      6     -20.8668      1.00000
      7     -20.5460      1.00000
      8     -20.5065      1.00000
      9     -20.4961      1.00000
     10     -19.9638      1.00000
     11     -19.4428      1.00000
     12     -19.4155      1.00000
     13     -19.2418      1.00000
     14     -19.2274      1.00000
     15     -18.3844      1.00000
     16     -18.3401      1.00000
     17     -17.8603      1.00000
     18     -17.8392      1.00000
     19     -17.6981      1.00000
     20     -17.6555      1.00000
     21     -17.3723      1.00000
     22     -17.3562      1.00000
     23     -17.2746      1.00000
     24     -16.4015      1.00000
     25     -16.3866      1.00000
     26     -15.8965      1.00000
     27     -15.3532      1.00000
     28     -15.3373      1.00000
     29     -15.0352      1.00000
     30     -15.0210      1.00000
     31     -14.7998      1.00000
     32     -14.7751      1.00000
     33     -14.2222      1.00000
     34     -14.1897      1.00000
     35     -13.3713      1.00000
     36     -13.3370      1.00000
     37     -13.1202      1.00000
     38     -13.1026      1.00000
     39     -12.9165      1.00000
     40     -12.9030      1.00000
     41     -12.5570      1.00000
     42     -12.5390      1.00000
     43     -12.1332      1.00000
     44     -11.5225      1.00000
     45     -11.4743      1.00000
     46     -11.2542      1.00000
     47     -11.2201      1.00000
     48     -11.0796      1.00000
     49     -10.6600      1.00000
     50     -10.5889      1.00000
     51     -10.5242      1.00000
     52     -10.2577      1.00000
     53     -10.2494      1.00000
     54     -10.1231      1.00000
     55     -10.0486      1.00000
     56     -10.0416      1.00000
     57      -9.7702      1.00000
     58      -9.7051      1.00000
     59      -9.6803      1.00000
     60      -9.6308      1.00000
     61      -9.6262      1.00000
     62      -9.5880      1.00000
     63      -9.2948      1.00000
     64      -9.2854      1.00000
     65      -9.2536      1.00000
     66      -9.0886      1.00000
     67      -8.8970      1.00000
     68      -8.8838      1.00000
     69      -8.7250      1.00000
     70      -8.5896      1.00000
     71      -8.5145      1.00000
     72      -8.3310      1.00000
     73      -8.3029      1.00000
     74      -8.2648      1.00000
     75      -8.2334      1.00000
     76      -8.1948      1.00000
     77      -8.1865      1.00000
     78      -8.1710      1.00000
     79      -8.1015      1.00000
     80      -7.6887      1.00000
     81      -7.3566      1.00000
     82      -7.3106      1.00000
     83      -7.2641      1.00000
     84      -7.1874      1.00000
     85      -7.1253      1.00000
     86      -7.0771      1.00000
     87      -6.9072      1.00000
     88      -6.8826      1.00000
     89      -6.5499      1.00000
     90      -6.4924      1.00000
     91      -6.2102      1.00000
     92      -6.0703      1.00000
     93      -5.9425      1.00000
     94      -5.7155      1.00000
     95      -5.6333      1.00000
     96      -5.4527      1.00000
     97      -5.3053      1.00000
     98      -5.2344      1.00000
     99      -5.1524      1.00000
    100      -5.1516      1.00000
    101      -4.5229      1.00000
    102      -4.4708      1.00000
    103      -4.1436      1.00000
    104      -3.8373      1.00000
    105      -3.7571      1.00000
    106      -3.6794      1.00000
    107      -1.8712      0.00000
    108      -1.8242      0.00000
    109      -1.2774      0.00000
    110      -1.0366      0.00000
    111      -1.0113      0.00000
    112      -0.7124      0.00000
    113      -0.6401      0.00000
    114      -0.5880      0.00000
    115      -0.5456      0.00000
    116      -0.2025      0.00000
    117       0.2524      0.00000
    118       0.2791      0.00000
    119       0.7607      0.00000
    120       0.9454      0.00000
    121       1.1325      0.00000
    122       1.2267      0.00000
    123       1.3204      0.00000
    124       1.4121      0.00000
    125       1.6017      0.00000
    126       1.6337      0.00000
    127       1.7023      0.00000
    128       1.8245      0.00000
    129       1.9213      0.00000
    130       2.0139      0.00000
    131       2.1139      0.00000
    132       2.3320      0.00000
    133       2.3966      0.00000
    134       2.4333      0.00000
    135       2.5430      0.00000
    136       2.6356      0.00000
    137       2.7602      0.00000
    138       2.8266      0.00000
    139       2.8336      0.00000
    140       2.8905      0.00000
    141       3.0483      0.00000
    142       3.0914      0.00000
    143       3.1881      0.00000
    144       3.2416      0.00000
    145       3.3902      0.00000
    146       3.4239      0.00000
    147       3.4854      0.00000
    148       3.5798      0.00000
    149       3.6047      0.00000
    150       3.6284      0.00000
    151       3.6522      0.00000
    152       3.7434      0.00000
    153       3.7743      0.00000
    154       3.7898      0.00000
    155       3.8129      0.00000
    156       3.8981      0.00000
    157       3.9794      0.00000
    158       4.0109      0.00000
    159       4.1789      0.00000
    160       4.2425      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2483      1.00000
      2     -21.8939      1.00000
      3     -21.8233      1.00000
      4     -21.3120      1.00000
      5     -21.2816      1.00000
      6     -20.7707      1.00000
      7     -20.7048      1.00000
      8     -20.5564      1.00000
      9     -20.0093      1.00000
     10     -20.0014      1.00000
     11     -19.6481      1.00000
     12     -19.6236      1.00000
     13     -18.9299      1.00000
     14     -18.9209      1.00000
     15     -18.5705      1.00000
     16     -18.5570      1.00000
     17     -18.3940      1.00000
     18     -17.6152      1.00000
     19     -17.5587      1.00000
     20     -17.5536      1.00000
     21     -17.5121      1.00000
     22     -17.0557      1.00000
     23     -17.0384      1.00000
     24     -16.8913      1.00000
     25     -15.9294      1.00000
     26     -15.8681      1.00000
     27     -15.5161      1.00000
     28     -15.5157      1.00000
     29     -15.2289      1.00000
     30     -14.7943      1.00000
     31     -14.7673      1.00000
     32     -14.5152      1.00000
     33     -14.4712      1.00000
     34     -14.1022      1.00000
     35     -14.0909      1.00000
     36     -13.0760      1.00000
     37     -13.0327      1.00000
     38     -12.9670      1.00000
     39     -12.9546      1.00000
     40     -12.6455      1.00000
     41     -12.6383      1.00000
     42     -12.2743      1.00000
     43     -12.2429      1.00000
     44     -11.5880      1.00000
     45     -11.5609      1.00000
     46     -11.5070      1.00000
     47     -10.9051      1.00000
     48     -10.8512      1.00000
     49     -10.6219      1.00000
     50     -10.5586      1.00000
     51     -10.4854      1.00000
     52     -10.4338      1.00000
     53     -10.4241      1.00000
     54     -10.3704      1.00000
     55     -10.2934      1.00000
     56     -10.0655      1.00000
     57      -9.8334      1.00000
     58      -9.5476      1.00000
     59      -9.4882      1.00000
     60      -9.4716      1.00000
     61      -9.3464      1.00000
     62      -9.3307      1.00000
     63      -9.3100      1.00000
     64      -9.3083      1.00000
     65      -9.2145      1.00000
     66      -9.1127      1.00000
     67      -9.0809      1.00000
     68      -9.0504      1.00000
     69      -8.8483      1.00000
     70      -8.7929      1.00000
     71      -8.7745      1.00000
     72      -8.5272      1.00000
     73      -8.4757      1.00000
     74      -8.2224      1.00000
     75      -8.1107      1.00000
     76      -8.0994      1.00000
     77      -7.8074      1.00000
     78      -7.7833      1.00000
     79      -7.7818      1.00000
     80      -7.6737      1.00000
     81      -7.6311      1.00000
     82      -7.6306      1.00000
     83      -7.4009      1.00000
     84      -7.3249      1.00000
     85      -7.2000      1.00000
     86      -6.8401      1.00000
     87      -6.8290      1.00000
     88      -6.6623      1.00000
     89      -6.5389      1.00000
     90      -6.3439      1.00000
     91      -6.3072      1.00000
     92      -6.1844      1.00000
     93      -6.1483      1.00000
     94      -5.9778      1.00000
     95      -5.5728      1.00000
     96      -5.4263      1.00000
     97      -5.2589      1.00000
     98      -5.2508      1.00000
     99      -5.1492      1.00000
    100      -4.6957      1.00000
    101      -4.6655      1.00000
    102      -4.3492      1.00000
    103      -4.3159      1.00000
    104      -3.9647      1.00000
    105      -3.8307      1.00000
    106      -3.3890      1.00000
    107      -2.2207      0.00000
    108      -1.3775      0.00000
    109      -1.2871      0.00000
    110      -1.1730      0.00000
    111      -1.0776      0.00000
    112      -0.8931      0.00000
    113      -0.7676      0.00000
    114      -0.7571      0.00000
    115      -0.2183      0.00000
    116       0.1130      0.00000
    117       0.2636      0.00000
    118       0.3462      0.00000
    119       0.7345      0.00000
    120       0.9043      0.00000
    121       0.9718      0.00000
    122       1.0944      0.00000
    123       1.2083      0.00000
    124       1.5300      0.00000
    125       1.5646      0.00000
    126       1.7166      0.00000
    127       1.8387      0.00000
    128       1.8625      0.00000
    129       1.9723      0.00000
    130       1.9998      0.00000
    131       2.1634      0.00000
    132       2.2699      0.00000
    133       2.4584      0.00000
    134       2.4721      0.00000
    135       2.5098      0.00000
    136       2.6663      0.00000
    137       2.6866      0.00000
    138       2.7329      0.00000
    139       2.7483      0.00000
    140       2.8953      0.00000
    141       3.0240      0.00000
    142       3.0875      0.00000
    143       3.1968      0.00000
    144       3.2583      0.00000
    145       3.2632      0.00000
    146       3.2731      0.00000
    147       3.3660      0.00000
    148       3.4854      0.00000
    149       3.5300      0.00000
    150       3.6980      0.00000
    151       3.7577      0.00000
    152       3.7710      0.00000
    153       3.8401      0.00000
    154       3.8824      0.00000
    155       3.9456      0.00000
    156       3.9875      0.00000
    157       4.0269      0.00000
    158       4.0541      0.00000
    159       4.0604      0.00000
    160       4.0874      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1424      1.00000
      2     -22.0470      1.00000
      3     -21.8869      1.00000
      4     -21.3349      1.00000
      5     -20.9821      1.00000
      6     -20.9435      1.00000
      7     -20.4337      1.00000
      8     -20.3909      1.00000
      9     -20.2268      1.00000
     10     -20.2054      1.00000
     11     -19.8894      1.00000
     12     -19.8217      1.00000
     13     -18.8152      1.00000
     14     -18.7439      1.00000
     15     -18.2904      1.00000
     16     -18.2364      1.00000
     17     -18.0859      1.00000
     18     -18.0660      1.00000
     19     -17.7620      1.00000
     20     -17.7192      1.00000
     21     -17.1891      1.00000
     22     -17.1700      1.00000
     23     -17.0999      1.00000
     24     -17.0640      1.00000
     25     -16.0380      1.00000
     26     -15.8236      1.00000
     27     -15.8000      1.00000
     28     -15.7645      1.00000
     29     -15.1740      1.00000
     30     -14.4916      1.00000
     31     -14.4586      1.00000
     32     -14.2181      1.00000
     33     -13.8952      1.00000
     34     -13.8903      1.00000
     35     -13.7561      1.00000
     36     -13.7359      1.00000
     37     -13.5522      1.00000
     38     -13.5031      1.00000
     39     -13.3002      1.00000
     40     -12.5645      1.00000
     41     -12.1258      1.00000
     42     -12.0661      1.00000
     43     -12.0106      1.00000
     44     -11.9518      1.00000
     45     -11.6110      1.00000
     46     -11.5881      1.00000
     47     -11.0855      1.00000
     48     -11.0521      1.00000
     49     -10.7538      1.00000
     50     -10.6642      1.00000
     51     -10.5273      1.00000
     52     -10.1485      1.00000
     53     -10.1389      1.00000
     54     -10.0962      1.00000
     55      -9.9531      1.00000
     56      -9.9478      1.00000
     57      -9.9175      1.00000
     58      -9.7381      1.00000
     59      -9.7310      1.00000
     60      -9.7014      1.00000
     61      -9.6905      1.00000
     62      -9.4295      1.00000
     63      -9.3636      1.00000
     64      -9.0867      1.00000
     65      -9.0064      1.00000
     66      -8.9750      1.00000
     67      -8.8884      1.00000
     68      -8.8116      1.00000
     69      -8.6586      1.00000
     70      -8.6349      1.00000
     71      -8.5788      1.00000
     72      -8.4786      1.00000
     73      -8.4680      1.00000
     74      -8.3984      1.00000
     75      -8.3945      1.00000
     76      -8.1841      1.00000
     77      -8.1143      1.00000
     78      -7.9774      1.00000
     79      -7.9154      1.00000
     80      -7.8469      1.00000
     81      -7.6180      1.00000
     82      -7.5302      1.00000
     83      -7.4695      1.00000
     84      -7.2566      1.00000
     85      -6.9343      1.00000
     86      -6.8578      1.00000
     87      -6.8110      1.00000
     88      -6.5750      1.00000
     89      -6.4677      1.00000
     90      -6.4205      1.00000
     91      -6.3568      1.00000
     92      -6.0529      1.00000
     93      -5.8779      1.00000
     94      -5.7531      1.00000
     95      -5.7219      1.00000
     96      -5.4774      1.00000
     97      -5.3464      1.00000
     98      -5.1804      1.00000
     99      -5.1564      1.00000
    100      -5.1547      1.00000
    101      -4.7077      1.00000
    102      -4.4411      1.00000
    103      -4.2558      1.00000
    104      -3.9963      1.00000
    105      -3.8295      1.00000
    106      -3.1559      1.00000
    107      -2.4632      0.00000
    108      -1.3792      0.00000
    109      -1.2417      0.00000
    110      -1.1457      0.00000
    111      -1.1146      0.00000
    112      -0.5637      0.00000
    113      -0.4345      0.00000
    114      -0.4295      0.00000
    115      -0.3105      0.00000
    116      -0.1897      0.00000
    117       0.0619      0.00000
    118       0.1172      0.00000
    119       0.5401      0.00000
    120       0.6841      0.00000
    121       0.8714      0.00000
    122       0.9682      0.00000
    123       1.1113      0.00000
    124       1.4957      0.00000
    125       1.6621      0.00000
    126       1.8055      0.00000
    127       1.8770      0.00000
    128       2.0944      0.00000
    129       2.1485      0.00000
    130       2.1970      0.00000
    131       2.2161      0.00000
    132       2.3402      0.00000
    133       2.3661      0.00000
    134       2.4880      0.00000
    135       2.5815      0.00000
    136       2.6705      0.00000
    137       2.8801      0.00000
    138       2.9380      0.00000
    139       2.9668      0.00000
    140       3.0027      0.00000
    141       3.0441      0.00000
    142       3.1517      0.00000
    143       3.1857      0.00000
    144       3.2506      0.00000
    145       3.2913      0.00000
    146       3.3334      0.00000
    147       3.3497      0.00000
    148       3.3805      0.00000
    149       3.4161      0.00000
    150       3.4975      0.00000
    151       3.5543      0.00000
    152       3.6356      0.00000
    153       3.6992      0.00000
    154       3.7109      0.00000
    155       3.7295      0.00000
    156       3.9213      0.00000
    157       3.9419      0.00000
    158       4.0598      0.00000
    159       4.0909      0.00000
    160       4.2045      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2481      1.00000
      2     -21.8955      1.00000
      3     -21.8217      1.00000
      4     -21.3166      1.00000
      5     -21.2776      1.00000
      6     -20.7718      1.00000
      7     -20.7027      1.00000
      8     -20.5548      1.00000
      9     -20.0231      1.00000
     10     -19.9906      1.00000
     11     -19.6506      1.00000
     12     -19.6194      1.00000
     13     -18.9437      1.00000
     14     -18.9088      1.00000
     15     -18.5843      1.00000
     16     -18.5466      1.00000
     17     -18.3923      1.00000
     18     -17.6021      1.00000
     19     -17.5708      1.00000
     20     -17.5414      1.00000
     21     -17.5086      1.00000
     22     -17.0748      1.00000
     23     -17.0274      1.00000
     24     -16.9003      1.00000
     25     -15.9457      1.00000
     26     -15.8512      1.00000
     27     -15.5336      1.00000
     28     -15.5068      1.00000
     29     -15.2092      1.00000
     30     -14.8144      1.00000
     31     -14.7614      1.00000
     32     -14.5097      1.00000
     33     -14.4679      1.00000
     34     -14.0962      1.00000
     35     -14.0931      1.00000
     36     -13.1053      1.00000
     37     -13.0300      1.00000
     38     -12.9568      1.00000
     39     -12.9495      1.00000
     40     -12.6561      1.00000
     41     -12.6275      1.00000
     42     -12.2744      1.00000
     43     -12.2472      1.00000
     44     -11.5730      1.00000
     45     -11.5534      1.00000
     46     -11.5006      1.00000
     47     -10.8785      1.00000
     48     -10.8687      1.00000
     49     -10.6830      1.00000
     50     -10.5254      1.00000
     51     -10.5207      1.00000
     52     -10.4334      1.00000
     53     -10.4163      1.00000
     54     -10.3705      1.00000
     55     -10.2883      1.00000
     56     -10.0612      1.00000
     57      -9.8321      1.00000
     58      -9.5595      1.00000
     59      -9.4847      1.00000
     60      -9.4449      1.00000
     61      -9.3553      1.00000
     62      -9.3395      1.00000
     63      -9.3080      1.00000
     64      -9.3030      1.00000
     65      -9.2062      1.00000
     66      -9.0993      1.00000
     67      -9.0682      1.00000
     68      -9.0489      1.00000
     69      -8.8514      1.00000
     70      -8.7965      1.00000
     71      -8.7783      1.00000
     72      -8.5270      1.00000
     73      -8.4973      1.00000
     74      -8.2274      1.00000
     75      -8.1291      1.00000
     76      -8.0932      1.00000
     77      -7.8072      1.00000
     78      -7.7677      1.00000
     79      -7.7397      1.00000
     80      -7.7031      1.00000
     81      -7.6360      1.00000
     82      -7.6244      1.00000
     83      -7.3880      1.00000
     84      -7.3444      1.00000
     85      -7.2195      1.00000
     86      -6.8437      1.00000
     87      -6.8204      1.00000
     88      -6.6402      1.00000
     89      -6.5297      1.00000
     90      -6.3418      1.00000
     91      -6.2732      1.00000
     92      -6.1956      1.00000
     93      -6.1316      1.00000
     94      -6.0214      1.00000
     95      -5.6375      1.00000
     96      -5.5089      1.00000
     97      -5.2977      1.00000
     98      -5.1561      1.00000
     99      -5.0406      1.00000
    100      -4.7266      1.00000
    101      -4.6859      1.00000
    102      -4.3681      1.00000
    103      -4.1853      1.00000
    104      -4.0094      1.00000
    105      -3.8290      1.00000
    106      -3.4841      1.00000
    107      -2.1641      0.00000
    108      -1.3835      0.00000
    109      -1.2360      0.00000
    110      -1.1843      0.00000
    111      -1.0140      0.00000
    112      -0.9562      0.00000
    113      -0.7975      0.00000
    114      -0.7521      0.00000
    115      -0.3656      0.00000
    116       0.2453      0.00000
    117       0.2768      0.00000
    118       0.3646      0.00000
    119       0.7005      0.00000
    120       0.8688      0.00000
    121       0.9660      0.00000
    122       1.1265      0.00000
    123       1.2362      0.00000
    124       1.4559      0.00000
    125       1.5570      0.00000
    126       1.7834      0.00000
    127       1.8513      0.00000
    128       1.8851      0.00000
    129       1.9878      0.00000
    130       2.0326      0.00000
    131       2.2007      0.00000
    132       2.2128      0.00000
    133       2.4037      0.00000
    134       2.4622      0.00000
    135       2.5543      0.00000
    136       2.6586      0.00000
    137       2.6851      0.00000
    138       2.7295      0.00000
    139       2.7725      0.00000
    140       2.8557      0.00000
    141       2.9670      0.00000
    142       3.0858      0.00000
    143       3.1934      0.00000
    144       3.2444      0.00000
    145       3.2604      0.00000
    146       3.3001      0.00000
    147       3.3406      0.00000
    148       3.4840      0.00000
    149       3.5115      0.00000
    150       3.7146      0.00000
    151       3.7252      0.00000
    152       3.7709      0.00000
    153       3.8630      0.00000
    154       3.8764      0.00000
    155       3.9031      0.00000
    156       3.9995      0.00000
    157       4.0058      0.00000
    158       4.0597      0.00000
    159       4.0676      0.00000
    160       4.0900      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3201      1.00000
      2     -21.7620      1.00000
      3     -21.5681      1.00000
      4     -21.5408      1.00000
      5     -21.2054      1.00000
      6     -21.1663      1.00000
      7     -20.9860      1.00000
      8     -20.0991      1.00000
      9     -20.0600      1.00000
     10     -19.5468      1.00000
     11     -19.5262      1.00000
     12     -19.3451      1.00000
     13     -19.0287      1.00000
     14     -18.9885      1.00000
     15     -18.9777      1.00000
     16     -18.9718      1.00000
     17     -18.2963      1.00000
     18     -18.2825      1.00000
     19     -17.9465      1.00000
     20     -17.0007      1.00000
     21     -16.9598      1.00000
     22     -16.8829      1.00000
     23     -16.8698      1.00000
     24     -16.4162      1.00000
     25     -16.3936      1.00000
     26     -15.5409      1.00000
     27     -15.5376      1.00000
     28     -15.1727      1.00000
     29     -15.1714      1.00000
     30     -15.1317      1.00000
     31     -15.0371      1.00000
     32     -15.0011      1.00000
     33     -14.6334      1.00000
     34     -14.6266      1.00000
     35     -13.6628      1.00000
     36     -13.6531      1.00000
     37     -13.1715      1.00000
     38     -12.5740      1.00000
     39     -12.5133      1.00000
     40     -12.3860      1.00000
     41     -12.3857      1.00000
     42     -12.0350      1.00000
     43     -12.0312      1.00000
     44     -11.6548      1.00000
     45     -11.6145      1.00000
     46     -11.2072      1.00000
     47     -11.1570      1.00000
     48     -10.9557      1.00000
     49     -10.9426      1.00000
     50     -10.8604      1.00000
     51     -10.8281      1.00000
     52     -10.6259      1.00000
     53     -10.1472      1.00000
     54     -10.0850      1.00000
     55     -10.0258      1.00000
     56      -9.9467      1.00000
     57      -9.6312      1.00000
     58      -9.6294      1.00000
     59      -9.6034      1.00000
     60      -9.5406      1.00000
     61      -9.5035      1.00000
     62      -9.4788      1.00000
     63      -9.2732      1.00000
     64      -9.2357      1.00000
     65      -9.2076      1.00000
     66      -9.1793      1.00000
     67      -9.0625      1.00000
     68      -9.0473      1.00000
     69      -9.0438      1.00000
     70      -8.8771      1.00000
     71      -8.8085      1.00000
     72      -8.5362      1.00000
     73      -8.5323      1.00000
     74      -8.5011      1.00000
     75      -8.0319      1.00000
     76      -7.8320      1.00000
     77      -7.8004      1.00000
     78      -7.7739      1.00000
     79      -7.7040      1.00000
     80      -7.6845      1.00000
     81      -7.4137      1.00000
     82      -7.2884      1.00000
     83      -7.2514      1.00000
     84      -7.2040      1.00000
     85      -7.0822      1.00000
     86      -7.0751      1.00000
     87      -6.9376      1.00000
     88      -6.7118      1.00000
     89      -6.6746      1.00000
     90      -6.6294      1.00000
     91      -6.5572      1.00000
     92      -6.0723      1.00000
     93      -6.0321      1.00000
     94      -6.0011      1.00000
     95      -5.9370      1.00000
     96      -5.8006      1.00000
     97      -5.1820      1.00000
     98      -4.8954      1.00000
     99      -4.7942      1.00000
    100      -4.6111      1.00000
    101      -4.5126      1.00000
    102      -4.1409      1.00000
    103      -4.0913      1.00000
    104      -3.9307      1.00000
    105      -3.9166      1.00000
    106      -3.8281      1.00000
    107      -1.7516      0.00000
    108      -1.6957      0.00000
    109      -1.4101      0.00000
    110      -1.3717      0.00000
    111      -1.2643      0.00000
    112      -1.2359      0.00000
    113      -0.6240      0.00000
    114      -0.5988      0.00000
    115      -0.1897      0.00000
    116       0.0425      0.00000
    117       0.5843      0.00000
    118       0.7412      0.00000
    119       0.8499      0.00000
    120       0.9283      0.00000
    121       1.1676      0.00000
    122       1.2113      0.00000
    123       1.2464      0.00000
    124       1.4200      0.00000
    125       1.5990      0.00000
    126       1.6406      0.00000
    127       1.7051      0.00000
    128       1.8078      0.00000
    129       1.9235      0.00000
    130       1.9402      0.00000
    131       2.1504      0.00000
    132       2.1735      0.00000
    133       2.2627      0.00000
    134       2.3036      0.00000
    135       2.5437      0.00000
    136       2.5606      0.00000
    137       2.6424      0.00000
    138       2.7620      0.00000
    139       2.8157      0.00000
    140       2.8498      0.00000
    141       2.8940      0.00000
    142       2.9459      0.00000
    143       3.0155      0.00000
    144       3.0295      0.00000
    145       3.0909      0.00000
    146       3.3158      0.00000
    147       3.3740      0.00000
    148       3.4223      0.00000
    149       3.4824      0.00000
    150       3.6129      0.00000
    151       3.6599      0.00000
    152       3.6723      0.00000
    153       3.6825      0.00000
    154       3.8950      0.00000
    155       3.9828      0.00000
    156       4.0286      0.00000
    157       4.0754      0.00000
    158       4.2418      0.00000
    159       4.2594      0.00000
    160       4.2694      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1414      1.00000
      2     -22.0485      1.00000
      3     -21.8864      1.00000
      4     -21.3358      1.00000
      5     -20.9771      1.00000
      6     -20.9475      1.00000
      7     -20.4285      1.00000
      8     -20.3963      1.00000
      9     -20.2166      1.00000
     10     -20.2143      1.00000
     11     -19.8881      1.00000
     12     -19.8243      1.00000
     13     -18.8180      1.00000
     14     -18.7472      1.00000
     15     -18.2660      1.00000
     16     -18.2522      1.00000
     17     -18.0807      1.00000
     18     -18.0736      1.00000
     19     -17.7460      1.00000
     20     -17.7307      1.00000
     21     -17.1954      1.00000
     22     -17.1716      1.00000
     23     -17.0888      1.00000
     24     -17.0682      1.00000
     25     -16.0549      1.00000
     26     -15.8086      1.00000
     27     -15.7990      1.00000
     28     -15.7779      1.00000
     29     -15.1591      1.00000
     30     -14.4858      1.00000
     31     -14.4644      1.00000
     32     -14.2040      1.00000
     33     -13.9174      1.00000
     34     -13.8871      1.00000
     35     -13.7596      1.00000
     36     -13.7391      1.00000
     37     -13.5361      1.00000
     38     -13.5106      1.00000
     39     -13.3019      1.00000
     40     -12.5774      1.00000
     41     -12.1010      1.00000
     42     -12.0774      1.00000
     43     -11.9984      1.00000
     44     -11.9511      1.00000
     45     -11.6064      1.00000
     46     -11.5986      1.00000
     47     -11.0850      1.00000
     48     -11.0609      1.00000
     49     -10.7319      1.00000
     50     -10.6647      1.00000
     51     -10.5603      1.00000
     52     -10.1402      1.00000
     53     -10.1358      1.00000
     54     -10.1010      1.00000
     55      -9.9667      1.00000
     56      -9.9256      1.00000
     57      -9.9218      1.00000
     58      -9.7519      1.00000
     59      -9.7295      1.00000
     60      -9.6978      1.00000
     61      -9.6948      1.00000
     62      -9.4013      1.00000
     63      -9.3890      1.00000
     64      -9.0692      1.00000
     65      -8.9832      1.00000
     66      -8.9817      1.00000
     67      -8.9057      1.00000
     68      -8.8122      1.00000
     69      -8.6502      1.00000
     70      -8.6340      1.00000
     71      -8.5486      1.00000
     72      -8.5017      1.00000
     73      -8.4826      1.00000
     74      -8.3942      1.00000
     75      -8.3830      1.00000
     76      -8.2101      1.00000
     77      -8.1023      1.00000
     78      -8.0071      1.00000
     79      -7.9022      1.00000
     80      -7.8440      1.00000
     81      -7.6219      1.00000
     82      -7.5329      1.00000
     83      -7.4569      1.00000
     84      -7.2533      1.00000
     85      -6.9442      1.00000
     86      -6.8693      1.00000
     87      -6.8106      1.00000
     88      -6.4784      1.00000
     89      -6.4680      1.00000
     90      -6.4094      1.00000
     91      -6.3601      1.00000
     92      -6.1914      1.00000
     93      -5.8583      1.00000
     94      -5.7380      1.00000
     95      -5.7113      1.00000
     96      -5.5240      1.00000
     97      -5.3298      1.00000
     98      -5.1722      1.00000
     99      -5.1678      1.00000
    100      -5.1342      1.00000
    101      -4.6963      1.00000
    102      -4.3486      1.00000
    103      -4.2805      1.00000
    104      -4.0297      1.00000
    105      -3.8305      1.00000
    106      -3.2334      1.00000
    107      -2.4047      0.00000
    108      -1.3455      0.00000
    109      -1.2444      0.00000
    110      -1.1526      0.00000
    111      -1.1082      0.00000
    112      -0.5828      0.00000
    113      -0.5217      0.00000
    114      -0.4339      0.00000
    115      -0.2746      0.00000
    116      -0.0708      0.00000
    117      -0.0110      0.00000
    118       0.0598      0.00000
    119       0.5836      0.00000
    120       0.7108      0.00000
    121       0.8099      0.00000
    122       0.9442      0.00000
    123       1.1833      0.00000
    124       1.5106      0.00000
    125       1.6200      0.00000
    126       1.8624      0.00000
    127       2.0052      0.00000
    128       2.0514      0.00000
    129       2.1147      0.00000
    130       2.1573      0.00000
    131       2.2699      0.00000
    132       2.2860      0.00000
    133       2.3507      0.00000
    134       2.4621      0.00000
    135       2.6124      0.00000
    136       2.7019      0.00000
    137       2.8201      0.00000
    138       2.9150      0.00000
    139       2.9431      0.00000
    140       3.0213      0.00000
    141       3.0528      0.00000
    142       3.1578      0.00000
    143       3.1682      0.00000
    144       3.2315      0.00000
    145       3.2997      0.00000
    146       3.3117      0.00000
    147       3.3537      0.00000
    148       3.3737      0.00000
    149       3.4176      0.00000
    150       3.4497      0.00000
    151       3.5664      0.00000
    152       3.6141      0.00000
    153       3.7067      0.00000
    154       3.7297      0.00000
    155       3.8485      0.00000
    156       3.9103      0.00000
    157       3.9322      0.00000
    158       3.9639      0.00000
    159       4.1496      0.00000
    160       4.1841      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2141      1.00000
      2     -22.0088      1.00000
      3     -21.6468      1.00000
      4     -21.6154      1.00000
      5     -20.9104      1.00000
      6     -20.8696      1.00000
      7     -20.5398      1.00000
      8     -20.5071      1.00000
      9     -20.5002      1.00000
     10     -19.9629      1.00000
     11     -19.4417      1.00000
     12     -19.4191      1.00000
     13     -19.2405      1.00000
     14     -19.2332      1.00000
     15     -18.3767      1.00000
     16     -18.3414      1.00000
     17     -17.8594      1.00000
     18     -17.8430      1.00000
     19     -17.6919      1.00000
     20     -17.6558      1.00000
     21     -17.3728      1.00000
     22     -17.3583      1.00000
     23     -17.2675      1.00000
     24     -16.4138      1.00000
     25     -16.3904      1.00000
     26     -15.9055      1.00000
     27     -15.3438      1.00000
     28     -15.3390      1.00000
     29     -15.0313      1.00000
     30     -15.0217      1.00000
     31     -14.7762      1.00000
     32     -14.7744      1.00000
     33     -14.2387      1.00000
     34     -14.1873      1.00000
     35     -13.3887      1.00000
     36     -13.3336      1.00000
     37     -13.1112      1.00000
     38     -13.1033      1.00000
     39     -12.9187      1.00000
     40     -12.9129      1.00000
     41     -12.5454      1.00000
     42     -12.5379      1.00000
     43     -12.1342      1.00000
     44     -11.5138      1.00000
     45     -11.4693      1.00000
     46     -11.2448      1.00000
     47     -11.2132      1.00000
     48     -11.0872      1.00000
     49     -10.7070      1.00000
     50     -10.5955      1.00000
     51     -10.5099      1.00000
     52     -10.2520      1.00000
     53     -10.2481      1.00000
     54     -10.1223      1.00000
     55     -10.0540      1.00000
     56     -10.0394      1.00000
     57      -9.7853      1.00000
     58      -9.6878      1.00000
     59      -9.6742      1.00000
     60      -9.6381      1.00000
     61      -9.6284      1.00000
     62      -9.5861      1.00000
     63      -9.2961      1.00000
     64      -9.2842      1.00000
     65      -9.2529      1.00000
     66      -9.0658      1.00000
     67      -8.8950      1.00000
     68      -8.8844      1.00000
     69      -8.7188      1.00000
     70      -8.5820      1.00000
     71      -8.5260      1.00000
     72      -8.3512      1.00000
     73      -8.3050      1.00000
     74      -8.2432      1.00000
     75      -8.2387      1.00000
     76      -8.1940      1.00000
     77      -8.1818      1.00000
     78      -8.1696      1.00000
     79      -8.1081      1.00000
     80      -7.6901      1.00000
     81      -7.4186      1.00000
     82      -7.3450      1.00000
     83      -7.2585      1.00000
     84      -7.1696      1.00000
     85      -7.1112      1.00000
     86      -7.0044      1.00000
     87      -6.9042      1.00000
     88      -6.8476      1.00000
     89      -6.5414      1.00000
     90      -6.4995      1.00000
     91      -6.2136      1.00000
     92      -6.2012      1.00000
     93      -5.8948      1.00000
     94      -5.6742      1.00000
     95      -5.6084      1.00000
     96      -5.5807      1.00000
     97      -5.2533      1.00000
     98      -5.2317      1.00000
     99      -5.1651      1.00000
    100      -5.1348      1.00000
    101      -4.6001      1.00000
    102      -4.2503      1.00000
    103      -4.0463      1.00000
    104      -3.8850      1.00000
    105      -3.8424      1.00000
    106      -3.8010      1.00000
    107      -1.8073      0.00000
    108      -1.7803      0.00000
    109      -1.2256      0.00000
    110      -1.1761      0.00000
    111      -0.9736      0.00000
    112      -0.7342      0.00000
    113      -0.6502      0.00000
    114      -0.5938      0.00000
    115      -0.5497      0.00000
    116      -0.1524      0.00000
    117       0.1760      0.00000
    118       0.2880      0.00000
    119       0.7057      0.00000
    120       0.9493      0.00000
    121       1.1693      0.00000
    122       1.2781      0.00000
    123       1.3461      0.00000
    124       1.5125      0.00000
    125       1.6084      0.00000
    126       1.6285      0.00000
    127       1.6922      0.00000
    128       1.7742      0.00000
    129       1.8649      0.00000
    130       2.0821      0.00000
    131       2.1672      0.00000
    132       2.3228      0.00000
    133       2.3943      0.00000
    134       2.4255      0.00000
    135       2.5567      0.00000
    136       2.6250      0.00000
    137       2.6895      0.00000
    138       2.7504      0.00000
    139       2.8210      0.00000
    140       2.9108      0.00000
    141       3.0570      0.00000
    142       3.0618      0.00000
    143       3.1849      0.00000
    144       3.2837      0.00000
    145       3.3803      0.00000
    146       3.4163      0.00000
    147       3.4614      0.00000
    148       3.5514      0.00000
    149       3.5799      0.00000
    150       3.6361      0.00000
    151       3.6662      0.00000
    152       3.7018      0.00000
    153       3.7909      0.00000
    154       3.8041      0.00000
    155       3.8252      0.00000
    156       3.8947      0.00000
    157       3.9122      0.00000
    158       3.9808      0.00000
    159       4.1911      0.00000
    160       4.2355      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3567      1.00000
      2     -21.5372      1.00000
      3     -21.4073      1.00000
      4     -21.4063      1.00000
      5     -21.3751      1.00000
      6     -21.3659      1.00000
      7     -21.3586      1.00000
      8     -19.6469      1.00000
      9     -19.5722      1.00000
     10     -19.5652      1.00000
     11     -19.5585      1.00000
     12     -19.5406      1.00000
     13     -19.5378      1.00000
     14     -18.7286      1.00000
     15     -18.6798      1.00000
     16     -18.6723      1.00000
     17     -18.6586      1.00000
     18     -18.6432      1.00000
     19     -18.6419      1.00000
     20     -16.5862      1.00000
     21     -16.5263      1.00000
     22     -16.5239      1.00000
     23     -16.5116      1.00000
     24     -16.4870      1.00000
     25     -16.4854      1.00000
     26     -15.5598      1.00000
     27     -15.5267      1.00000
     28     -15.5258      1.00000
     29     -15.4993      1.00000
     30     -15.4948      1.00000
     31     -15.4886      1.00000
     32     -14.2068      1.00000
     33     -14.1801      1.00000
     34     -14.1677      1.00000
     35     -14.1650      1.00000
     36     -14.1599      1.00000
     37     -14.1490      1.00000
     38     -11.8848      1.00000
     39     -11.8088      1.00000
     40     -11.7922      1.00000
     41     -11.7917      1.00000
     42     -11.7886      1.00000
     43     -11.7824      1.00000
     44     -11.7047      1.00000
     45     -11.6985      1.00000
     46     -11.6729      1.00000
     47     -11.6578      1.00000
     48     -11.6578      1.00000
     49     -11.6509      1.00000
     50     -10.6747      1.00000
     51     -10.3293      1.00000
     52     -10.3210      1.00000
     53     -10.3056      1.00000
     54     -10.3047      1.00000
     55     -10.2911      1.00000
     56     -10.2780      1.00000
     57      -9.9283      1.00000
     58      -9.3731      1.00000
     59      -9.3595      1.00000
     60      -9.3003      1.00000
     61      -9.2920      1.00000
     62      -9.2852      1.00000
     63      -9.0934      1.00000
     64      -9.0540      1.00000
     65      -9.0498      1.00000
     66      -9.0261      1.00000
     67      -9.0076      1.00000
     68      -9.0021      1.00000
     69      -9.0011      1.00000
     70      -8.9948      1.00000
     71      -8.9923      1.00000
     72      -8.9715      1.00000
     73      -8.9642      1.00000
     74      -8.9548      1.00000
     75      -8.4989      1.00000
     76      -7.5148      1.00000
     77      -7.4114      1.00000
     78      -7.4098      1.00000
     79      -7.4006      1.00000
     80      -7.3833      1.00000
     81      -7.3647      1.00000
     82      -7.3406      1.00000
     83      -7.3095      1.00000
     84      -7.2694      1.00000
     85      -7.2065      1.00000
     86      -7.1804      1.00000
     87      -7.1801      1.00000
     88      -7.0750      1.00000
     89      -6.5091      1.00000
     90      -6.4617      1.00000
     91      -6.3554      1.00000
     92      -6.2934      1.00000
     93      -6.2879      1.00000
     94      -6.2864      1.00000
     95      -5.8979      1.00000
     96      -5.8842      1.00000
     97      -5.0487      1.00000
     98      -4.9377      1.00000
     99      -4.5396      1.00000
    100      -4.3414      1.00000
    101      -4.3181      1.00000
    102      -4.3174      1.00000
    103      -4.1153      1.00000
    104      -3.9127      1.00000
    105      -3.9008      1.00000
    106      -3.8343      1.00000
    107      -1.6821      0.00000
    108      -1.6688      0.00000
    109      -1.5359      0.00000
    110      -1.5352      0.00000
    111      -1.5224      0.00000
    112      -1.5086      0.00000
    113      -0.5858      0.00000
    114       0.1335      0.00000
    115       0.2069      0.00000
    116       0.3246      0.00000
    117       0.3266      0.00000
    118       0.3338      0.00000
    119       0.4960      0.00000
    120       0.5962      0.00000
    121       1.2590      0.00000
    122       1.2736      0.00000
    123       1.5293      0.00000
    124       1.7978      0.00000
    125       1.8041      0.00000
    126       1.8072      0.00000
    127       1.8122      0.00000
    128       1.9458      0.00000
    129       1.9803      0.00000
    130       2.0319      0.00000
    131       2.0460      0.00000
    132       2.0512      0.00000
    133       2.0550      0.00000
    134       2.0602      0.00000
    135       2.3073      0.00000
    136       2.3270      0.00000
    137       2.6144      0.00000
    138       2.6212      0.00000
    139       2.6509      0.00000
    140       2.7308      0.00000
    141       2.8623      0.00000
    142       3.0289      0.00000
    143       3.0538      0.00000
    144       3.0937      0.00000
    145       3.1014      0.00000
    146       3.1057      0.00000
    147       3.1094      0.00000
    148       3.2362      0.00000
    149       3.4533      0.00000
    150       3.5403      0.00000
    151       3.7906      0.00000
    152       3.9477      0.00000
    153       3.9571      0.00000
    154       3.9622      0.00000
    155       3.9700      0.00000
    156       3.9986      0.00000
    157       4.1830      0.00000
    158       4.2683      0.00000
    159       4.2881      0.00000
    160       4.2889      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3201      1.00000
      2     -21.7616      1.00000
      3     -21.5709      1.00000
      4     -21.5380      1.00000
      5     -21.2080      1.00000
      6     -21.1631      1.00000
      7     -20.9873      1.00000
      8     -20.1020      1.00000
      9     -20.0578      1.00000
     10     -19.5465      1.00000
     11     -19.5218      1.00000
     12     -19.3493      1.00000
     13     -19.0250      1.00000
     14     -18.9898      1.00000
     15     -18.9814      1.00000
     16     -18.9693      1.00000
     17     -18.2975      1.00000
     18     -18.2782      1.00000
     19     -17.9522      1.00000
     20     -17.0099      1.00000
     21     -16.9598      1.00000
     22     -16.8787      1.00000
     23     -16.8687      1.00000
     24     -16.4050      1.00000
     25     -16.3901      1.00000
     26     -15.5525      1.00000
     27     -15.5358      1.00000
     28     -15.1980      1.00000
     29     -15.1692      1.00000
     30     -15.1148      1.00000
     31     -15.0279      1.00000
     32     -15.0026      1.00000
     33     -14.6365      1.00000
     34     -14.6246      1.00000
     35     -13.6676      1.00000
     36     -13.6522      1.00000
     37     -13.1697      1.00000
     38     -12.5514      1.00000
     39     -12.5174      1.00000
     40     -12.3912      1.00000
     41     -12.3780      1.00000
     42     -12.0576      1.00000
     43     -12.0346      1.00000
     44     -11.6596      1.00000
     45     -11.6174      1.00000
     46     -11.1810      1.00000
     47     -11.1566      1.00000
     48     -10.9653      1.00000
     49     -10.9408      1.00000
     50     -10.8741      1.00000
     51     -10.8374      1.00000
     52     -10.6033      1.00000
     53     -10.0938      1.00000
     54     -10.0886      1.00000
     55     -10.0467      1.00000
     56      -9.9706      1.00000
     57      -9.6548      1.00000
     58      -9.6291      1.00000
     59      -9.5923      1.00000
     60      -9.5295      1.00000
     61      -9.5113      1.00000
     62      -9.4792      1.00000
     63      -9.2646      1.00000
     64      -9.2412      1.00000
     65      -9.2211      1.00000
     66      -9.1665      1.00000
     67      -9.0686      1.00000
     68      -9.0468      1.00000
     69      -9.0410      1.00000
     70      -8.8829      1.00000
     71      -8.8066      1.00000
     72      -8.5781      1.00000
     73      -8.5228      1.00000
     74      -8.4605      1.00000
     75      -8.0350      1.00000
     76      -7.8117      1.00000
     77      -7.8072      1.00000
     78      -7.7929      1.00000
     79      -7.7005      1.00000
     80      -7.6905      1.00000
     81      -7.3638      1.00000
     82      -7.2735      1.00000
     83      -7.2648      1.00000
     84      -7.2158      1.00000
     85      -7.1729      1.00000
     86      -7.0089      1.00000
     87      -6.9477      1.00000
     88      -6.7473      1.00000
     89      -6.6725      1.00000
     90      -6.5941      1.00000
     91      -6.5594      1.00000
     92      -6.0505      1.00000
     93      -6.0474      1.00000
     94      -6.0220      1.00000
     95      -5.9590      1.00000
     96      -5.7367      1.00000
     97      -5.1567      1.00000
     98      -4.9903      1.00000
     99      -4.7190      1.00000
    100      -4.6112      1.00000
    101      -4.4403      1.00000
    102      -4.3741      1.00000
    103      -4.1224      1.00000
    104      -3.8682      1.00000
    105      -3.8341      1.00000
    106      -3.7902      1.00000
    107      -1.7856      0.00000
    108      -1.7387      0.00000
    109      -1.3947      0.00000
    110      -1.3464      0.00000
    111      -1.2640      0.00000
    112      -1.2254      0.00000
    113      -0.7452      0.00000
    114      -0.3790      0.00000
    115      -0.2206      0.00000
    116      -0.0184      0.00000
    117       0.5905      0.00000
    118       0.7367      0.00000
    119       0.7642      0.00000
    120       1.0497      0.00000
    121       1.1418      0.00000
    122       1.2504      0.00000
    123       1.2717      0.00000
    124       1.4143      0.00000
    125       1.4800      0.00000
    126       1.5875      0.00000
    127       1.7584      0.00000
    128       1.8416      0.00000
    129       1.8974      0.00000
    130       1.9591      0.00000
    131       2.1074      0.00000
    132       2.2365      0.00000
    133       2.2504      0.00000
    134       2.2980      0.00000
    135       2.4907      0.00000
    136       2.6177      0.00000
    137       2.6410      0.00000
    138       2.7685      0.00000
    139       2.8046      0.00000
    140       2.8594      0.00000
    141       2.8691      0.00000
    142       2.8937      0.00000
    143       2.9605      0.00000
    144       3.0849      0.00000
    145       3.2829      0.00000
    146       3.3108      0.00000
    147       3.3798      0.00000
    148       3.4109      0.00000
    149       3.4703      0.00000
    150       3.5931      0.00000
    151       3.6417      0.00000
    152       3.6735      0.00000
    153       3.7119      0.00000
    154       3.9102      0.00000
    155       3.9450      0.00000
    156       3.9839      0.00000
    157       4.0871      0.00000
    158       4.2076      0.00000
    159       4.2499      0.00000
    160       4.2996      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2145      1.00000
      2     -22.0081      1.00000
      3     -21.6495      1.00000
      4     -21.6124      1.00000
      5     -20.9133      1.00000
      6     -20.8668      1.00000
      7     -20.5460      1.00000
      8     -20.5065      1.00000
      9     -20.4961      1.00000
     10     -19.9638      1.00000
     11     -19.4428      1.00000
     12     -19.4155      1.00000
     13     -19.2418      1.00000
     14     -19.2274      1.00000
     15     -18.3844      1.00000
     16     -18.3401      1.00000
     17     -17.8603      1.00000
     18     -17.8392      1.00000
     19     -17.6981      1.00000
     20     -17.6555      1.00000
     21     -17.3723      1.00000
     22     -17.3562      1.00000
     23     -17.2746      1.00000
     24     -16.4015      1.00000
     25     -16.3866      1.00000
     26     -15.8965      1.00000
     27     -15.3532      1.00000
     28     -15.3373      1.00000
     29     -15.0352      1.00000
     30     -15.0210      1.00000
     31     -14.7998      1.00000
     32     -14.7751      1.00000
     33     -14.2222      1.00000
     34     -14.1897      1.00000
     35     -13.3713      1.00000
     36     -13.3370      1.00000
     37     -13.1202      1.00000
     38     -13.1026      1.00000
     39     -12.9165      1.00000
     40     -12.9030      1.00000
     41     -12.5570      1.00000
     42     -12.5390      1.00000
     43     -12.1332      1.00000
     44     -11.5225      1.00000
     45     -11.4743      1.00000
     46     -11.2542      1.00000
     47     -11.2201      1.00000
     48     -11.0796      1.00000
     49     -10.6600      1.00000
     50     -10.5889      1.00000
     51     -10.5242      1.00000
     52     -10.2577      1.00000
     53     -10.2494      1.00000
     54     -10.1231      1.00000
     55     -10.0486      1.00000
     56     -10.0416      1.00000
     57      -9.7702      1.00000
     58      -9.7051      1.00000
     59      -9.6803      1.00000
     60      -9.6308      1.00000
     61      -9.6262      1.00000
     62      -9.5880      1.00000
     63      -9.2948      1.00000
     64      -9.2854      1.00000
     65      -9.2536      1.00000
     66      -9.0886      1.00000
     67      -8.8970      1.00000
     68      -8.8838      1.00000
     69      -8.7250      1.00000
     70      -8.5896      1.00000
     71      -8.5145      1.00000
     72      -8.3310      1.00000
     73      -8.3029      1.00000
     74      -8.2648      1.00000
     75      -8.2334      1.00000
     76      -8.1948      1.00000
     77      -8.1865      1.00000
     78      -8.1710      1.00000
     79      -8.1015      1.00000
     80      -7.6887      1.00000
     81      -7.3566      1.00000
     82      -7.3106      1.00000
     83      -7.2641      1.00000
     84      -7.1874      1.00000
     85      -7.1253      1.00000
     86      -7.0771      1.00000
     87      -6.9072      1.00000
     88      -6.8826      1.00000
     89      -6.5499      1.00000
     90      -6.4924      1.00000
     91      -6.2102      1.00000
     92      -6.0703      1.00000
     93      -5.9425      1.00000
     94      -5.7155      1.00000
     95      -5.6333      1.00000
     96      -5.4527      1.00000
     97      -5.3053      1.00000
     98      -5.2344      1.00000
     99      -5.1524      1.00000
    100      -5.1516      1.00000
    101      -4.5229      1.00000
    102      -4.4708      1.00000
    103      -4.1436      1.00000
    104      -3.8373      1.00000
    105      -3.7571      1.00000
    106      -3.6794      1.00000
    107      -1.8712      0.00000
    108      -1.8242      0.00000
    109      -1.2774      0.00000
    110      -1.0366      0.00000
    111      -1.0113      0.00000
    112      -0.7124      0.00000
    113      -0.6401      0.00000
    114      -0.5880      0.00000
    115      -0.5456      0.00000
    116      -0.2025      0.00000
    117       0.2524      0.00000
    118       0.2791      0.00000
    119       0.7607      0.00000
    120       0.9454      0.00000
    121       1.1325      0.00000
    122       1.2267      0.00000
    123       1.3204      0.00000
    124       1.4121      0.00000
    125       1.6017      0.00000
    126       1.6337      0.00000
    127       1.7023      0.00000
    128       1.8245      0.00000
    129       1.9213      0.00000
    130       2.0139      0.00000
    131       2.1139      0.00000
    132       2.3320      0.00000
    133       2.3966      0.00000
    134       2.4333      0.00000
    135       2.5431      0.00000
    136       2.6356      0.00000
    137       2.7602      0.00000
    138       2.8266      0.00000
    139       2.8336      0.00000
    140       2.8905      0.00000
    141       3.0483      0.00000
    142       3.0914      0.00000
    143       3.1881      0.00000
    144       3.2416      0.00000
    145       3.3902      0.00000
    146       3.4239      0.00000
    147       3.4854      0.00000
    148       3.5798      0.00000
    149       3.6047      0.00000
    150       3.6284      0.00000
    151       3.6522      0.00000
    152       3.7434      0.00000
    153       3.7743      0.00000
    154       3.7898      0.00000
    155       3.8129      0.00000
    156       3.8981      0.00000
    157       3.9794      0.00000
    158       4.0109      0.00000
    159       4.1789      0.00000
    160       4.2425      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2483      1.00000
      2     -21.8939      1.00000
      3     -21.8233      1.00000
      4     -21.3120      1.00000
      5     -21.2816      1.00000
      6     -20.7707      1.00000
      7     -20.7048      1.00000
      8     -20.5564      1.00000
      9     -20.0093      1.00000
     10     -20.0014      1.00000
     11     -19.6481      1.00000
     12     -19.6236      1.00000
     13     -18.9299      1.00000
     14     -18.9209      1.00000
     15     -18.5705      1.00000
     16     -18.5570      1.00000
     17     -18.3940      1.00000
     18     -17.6152      1.00000
     19     -17.5587      1.00000
     20     -17.5536      1.00000
     21     -17.5121      1.00000
     22     -17.0557      1.00000
     23     -17.0384      1.00000
     24     -16.8913      1.00000
     25     -15.9294      1.00000
     26     -15.8681      1.00000
     27     -15.5161      1.00000
     28     -15.5157      1.00000
     29     -15.2289      1.00000
     30     -14.7943      1.00000
     31     -14.7673      1.00000
     32     -14.5152      1.00000
     33     -14.4712      1.00000
     34     -14.1022      1.00000
     35     -14.0909      1.00000
     36     -13.0760      1.00000
     37     -13.0327      1.00000
     38     -12.9670      1.00000
     39     -12.9546      1.00000
     40     -12.6455      1.00000
     41     -12.6383      1.00000
     42     -12.2743      1.00000
     43     -12.2429      1.00000
     44     -11.5880      1.00000
     45     -11.5609      1.00000
     46     -11.5070      1.00000
     47     -10.9051      1.00000
     48     -10.8512      1.00000
     49     -10.6219      1.00000
     50     -10.5586      1.00000
     51     -10.4854      1.00000
     52     -10.4338      1.00000
     53     -10.4241      1.00000
     54     -10.3704      1.00000
     55     -10.2934      1.00000
     56     -10.0655      1.00000
     57      -9.8334      1.00000
     58      -9.5476      1.00000
     59      -9.4882      1.00000
     60      -9.4716      1.00000
     61      -9.3464      1.00000
     62      -9.3307      1.00000
     63      -9.3100      1.00000
     64      -9.3083      1.00000
     65      -9.2145      1.00000
     66      -9.1127      1.00000
     67      -9.0809      1.00000
     68      -9.0504      1.00000
     69      -8.8483      1.00000
     70      -8.7929      1.00000
     71      -8.7745      1.00000
     72      -8.5272      1.00000
     73      -8.4757      1.00000
     74      -8.2224      1.00000
     75      -8.1107      1.00000
     76      -8.0994      1.00000
     77      -7.8074      1.00000
     78      -7.7833      1.00000
     79      -7.7818      1.00000
     80      -7.6737      1.00000
     81      -7.6311      1.00000
     82      -7.6306      1.00000
     83      -7.4009      1.00000
     84      -7.3249      1.00000
     85      -7.2000      1.00000
     86      -6.8401      1.00000
     87      -6.8290      1.00000
     88      -6.6623      1.00000
     89      -6.5389      1.00000
     90      -6.3439      1.00000
     91      -6.3072      1.00000
     92      -6.1844      1.00000
     93      -6.1483      1.00000
     94      -5.9778      1.00000
     95      -5.5728      1.00000
     96      -5.4263      1.00000
     97      -5.2589      1.00000
     98      -5.2508      1.00000
     99      -5.1492      1.00000
    100      -4.6957      1.00000
    101      -4.6655      1.00000
    102      -4.3492      1.00000
    103      -4.3159      1.00000
    104      -3.9647      1.00000
    105      -3.8307      1.00000
    106      -3.3890      1.00000
    107      -2.2207      0.00000
    108      -1.3775      0.00000
    109      -1.2871      0.00000
    110      -1.1730      0.00000
    111      -1.0776      0.00000
    112      -0.8931      0.00000
    113      -0.7676      0.00000
    114      -0.7571      0.00000
    115      -0.2183      0.00000
    116       0.1130      0.00000
    117       0.2636      0.00000
    118       0.3462      0.00000
    119       0.7345      0.00000
    120       0.9043      0.00000
    121       0.9718      0.00000
    122       1.0944      0.00000
    123       1.2083      0.00000
    124       1.5300      0.00000
    125       1.5646      0.00000
    126       1.7166      0.00000
    127       1.8387      0.00000
    128       1.8625      0.00000
    129       1.9723      0.00000
    130       1.9998      0.00000
    131       2.1634      0.00000
    132       2.2699      0.00000
    133       2.4584      0.00000
    134       2.4721      0.00000
    135       2.5098      0.00000
    136       2.6663      0.00000
    137       2.6866      0.00000
    138       2.7329      0.00000
    139       2.7483      0.00000
    140       2.8953      0.00000
    141       3.0240      0.00000
    142       3.0875      0.00000
    143       3.1969      0.00000
    144       3.2583      0.00000
    145       3.2632      0.00000
    146       3.2731      0.00000
    147       3.3660      0.00000
    148       3.4854      0.00000
    149       3.5300      0.00000
    150       3.6980      0.00000
    151       3.7577      0.00000
    152       3.7710      0.00000
    153       3.8401      0.00000
    154       3.8824      0.00000
    155       3.9456      0.00000
    156       3.9875      0.00000
    157       4.0269      0.00000
    158       4.0541      0.00000
    159       4.0604      0.00000
    160       4.0874      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1424      1.00000
      2     -22.0470      1.00000
      3     -21.8869      1.00000
      4     -21.3349      1.00000
      5     -20.9821      1.00000
      6     -20.9435      1.00000
      7     -20.4337      1.00000
      8     -20.3909      1.00000
      9     -20.2268      1.00000
     10     -20.2054      1.00000
     11     -19.8894      1.00000
     12     -19.8217      1.00000
     13     -18.8152      1.00000
     14     -18.7439      1.00000
     15     -18.2904      1.00000
     16     -18.2364      1.00000
     17     -18.0859      1.00000
     18     -18.0660      1.00000
     19     -17.7620      1.00000
     20     -17.7192      1.00000
     21     -17.1891      1.00000
     22     -17.1700      1.00000
     23     -17.0999      1.00000
     24     -17.0640      1.00000
     25     -16.0380      1.00000
     26     -15.8236      1.00000
     27     -15.8000      1.00000
     28     -15.7645      1.00000
     29     -15.1740      1.00000
     30     -14.4916      1.00000
     31     -14.4586      1.00000
     32     -14.2181      1.00000
     33     -13.8952      1.00000
     34     -13.8903      1.00000
     35     -13.7561      1.00000
     36     -13.7359      1.00000
     37     -13.5522      1.00000
     38     -13.5031      1.00000
     39     -13.3002      1.00000
     40     -12.5645      1.00000
     41     -12.1258      1.00000
     42     -12.0661      1.00000
     43     -12.0106      1.00000
     44     -11.9518      1.00000
     45     -11.6110      1.00000
     46     -11.5881      1.00000
     47     -11.0855      1.00000
     48     -11.0521      1.00000
     49     -10.7538      1.00000
     50     -10.6642      1.00000
     51     -10.5273      1.00000
     52     -10.1485      1.00000
     53     -10.1389      1.00000
     54     -10.0962      1.00000
     55      -9.9531      1.00000
     56      -9.9478      1.00000
     57      -9.9175      1.00000
     58      -9.7381      1.00000
     59      -9.7310      1.00000
     60      -9.7014      1.00000
     61      -9.6905      1.00000
     62      -9.4295      1.00000
     63      -9.3636      1.00000
     64      -9.0867      1.00000
     65      -9.0064      1.00000
     66      -8.9750      1.00000
     67      -8.8884      1.00000
     68      -8.8116      1.00000
     69      -8.6586      1.00000
     70      -8.6349      1.00000
     71      -8.5788      1.00000
     72      -8.4786      1.00000
     73      -8.4680      1.00000
     74      -8.3984      1.00000
     75      -8.3945      1.00000
     76      -8.1841      1.00000
     77      -8.1143      1.00000
     78      -7.9774      1.00000
     79      -7.9154      1.00000
     80      -7.8469      1.00000
     81      -7.6180      1.00000
     82      -7.5302      1.00000
     83      -7.4695      1.00000
     84      -7.2566      1.00000
     85      -6.9343      1.00000
     86      -6.8578      1.00000
     87      -6.8110      1.00000
     88      -6.5750      1.00000
     89      -6.4677      1.00000
     90      -6.4205      1.00000
     91      -6.3568      1.00000
     92      -6.0529      1.00000
     93      -5.8779      1.00000
     94      -5.7531      1.00000
     95      -5.7219      1.00000
     96      -5.4774      1.00000
     97      -5.3464      1.00000
     98      -5.1804      1.00000
     99      -5.1564      1.00000
    100      -5.1547      1.00000
    101      -4.7077      1.00000
    102      -4.4411      1.00000
    103      -4.2558      1.00000
    104      -3.9963      1.00000
    105      -3.8295      1.00000
    106      -3.1559      1.00000
    107      -2.4632      0.00000
    108      -1.3792      0.00000
    109      -1.2417      0.00000
    110      -1.1457      0.00000
    111      -1.1146      0.00000
    112      -0.5637      0.00000
    113      -0.4345      0.00000
    114      -0.4295      0.00000
    115      -0.3105      0.00000
    116      -0.1897      0.00000
    117       0.0619      0.00000
    118       0.1172      0.00000
    119       0.5401      0.00000
    120       0.6841      0.00000
    121       0.8714      0.00000
    122       0.9682      0.00000
    123       1.1113      0.00000
    124       1.4957      0.00000
    125       1.6621      0.00000
    126       1.8055      0.00000
    127       1.8770      0.00000
    128       2.0944      0.00000
    129       2.1485      0.00000
    130       2.1970      0.00000
    131       2.2161      0.00000
    132       2.3402      0.00000
    133       2.3661      0.00000
    134       2.4880      0.00000
    135       2.5815      0.00000
    136       2.6705      0.00000
    137       2.8801      0.00000
    138       2.9380      0.00000
    139       2.9668      0.00000
    140       3.0027      0.00000
    141       3.0441      0.00000
    142       3.1517      0.00000
    143       3.1857      0.00000
    144       3.2506      0.00000
    145       3.2913      0.00000
    146       3.3334      0.00000
    147       3.3497      0.00000
    148       3.3805      0.00000
    149       3.4161      0.00000
    150       3.4975      0.00000
    151       3.5543      0.00000
    152       3.6356      0.00000
    153       3.6992      0.00000
    154       3.7109      0.00000
    155       3.7295      0.00000
    156       3.9213      0.00000
    157       3.9419      0.00000
    158       4.0598      0.00000
    159       4.0909      0.00000
    160       4.2045      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2481      1.00000
      2     -21.8955      1.00000
      3     -21.8217      1.00000
      4     -21.3166      1.00000
      5     -21.2776      1.00000
      6     -20.7718      1.00000
      7     -20.7027      1.00000
      8     -20.5548      1.00000
      9     -20.0231      1.00000
     10     -19.9906      1.00000
     11     -19.6506      1.00000
     12     -19.6194      1.00000
     13     -18.9437      1.00000
     14     -18.9088      1.00000
     15     -18.5843      1.00000
     16     -18.5466      1.00000
     17     -18.3923      1.00000
     18     -17.6021      1.00000
     19     -17.5708      1.00000
     20     -17.5414      1.00000
     21     -17.5086      1.00000
     22     -17.0748      1.00000
     23     -17.0274      1.00000
     24     -16.9003      1.00000
     25     -15.9457      1.00000
     26     -15.8512      1.00000
     27     -15.5336      1.00000
     28     -15.5068      1.00000
     29     -15.2092      1.00000
     30     -14.8144      1.00000
     31     -14.7614      1.00000
     32     -14.5097      1.00000
     33     -14.4679      1.00000
     34     -14.0962      1.00000
     35     -14.0931      1.00000
     36     -13.1053      1.00000
     37     -13.0300      1.00000
     38     -12.9568      1.00000
     39     -12.9495      1.00000
     40     -12.6561      1.00000
     41     -12.6275      1.00000
     42     -12.2744      1.00000
     43     -12.2472      1.00000
     44     -11.5730      1.00000
     45     -11.5534      1.00000
     46     -11.5006      1.00000
     47     -10.8785      1.00000
     48     -10.8687      1.00000
     49     -10.6830      1.00000
     50     -10.5254      1.00000
     51     -10.5207      1.00000
     52     -10.4334      1.00000
     53     -10.4163      1.00000
     54     -10.3705      1.00000
     55     -10.2883      1.00000
     56     -10.0612      1.00000
     57      -9.8321      1.00000
     58      -9.5595      1.00000
     59      -9.4847      1.00000
     60      -9.4449      1.00000
     61      -9.3553      1.00000
     62      -9.3395      1.00000
     63      -9.3080      1.00000
     64      -9.3030      1.00000
     65      -9.2062      1.00000
     66      -9.0993      1.00000
     67      -9.0682      1.00000
     68      -9.0489      1.00000
     69      -8.8514      1.00000
     70      -8.7965      1.00000
     71      -8.7783      1.00000
     72      -8.5270      1.00000
     73      -8.4973      1.00000
     74      -8.2274      1.00000
     75      -8.1291      1.00000
     76      -8.0932      1.00000
     77      -7.8072      1.00000
     78      -7.7677      1.00000
     79      -7.7397      1.00000
     80      -7.7031      1.00000
     81      -7.6360      1.00000
     82      -7.6244      1.00000
     83      -7.3880      1.00000
     84      -7.3444      1.00000
     85      -7.2195      1.00000
     86      -6.8437      1.00000
     87      -6.8204      1.00000
     88      -6.6402      1.00000
     89      -6.5297      1.00000
     90      -6.3418      1.00000
     91      -6.2732      1.00000
     92      -6.1956      1.00000
     93      -6.1316      1.00000
     94      -6.0214      1.00000
     95      -5.6375      1.00000
     96      -5.5089      1.00000
     97      -5.2977      1.00000
     98      -5.1561      1.00000
     99      -5.0406      1.00000
    100      -4.7266      1.00000
    101      -4.6859      1.00000
    102      -4.3681      1.00000
    103      -4.1853      1.00000
    104      -4.0094      1.00000
    105      -3.8290      1.00000
    106      -3.4841      1.00000
    107      -2.1641      0.00000
    108      -1.3835      0.00000
    109      -1.2360      0.00000
    110      -1.1843      0.00000
    111      -1.0140      0.00000
    112      -0.9562      0.00000
    113      -0.7975      0.00000
    114      -0.7521      0.00000
    115      -0.3656      0.00000
    116       0.2453      0.00000
    117       0.2768      0.00000
    118       0.3646      0.00000
    119       0.7005      0.00000
    120       0.8688      0.00000
    121       0.9660      0.00000
    122       1.1265      0.00000
    123       1.2362      0.00000
    124       1.4559      0.00000
    125       1.5570      0.00000
    126       1.7834      0.00000
    127       1.8513      0.00000
    128       1.8851      0.00000
    129       1.9878      0.00000
    130       2.0326      0.00000
    131       2.2007      0.00000
    132       2.2128      0.00000
    133       2.4037      0.00000
    134       2.4622      0.00000
    135       2.5543      0.00000
    136       2.6586      0.00000
    137       2.6851      0.00000
    138       2.7295      0.00000
    139       2.7725      0.00000
    140       2.8557      0.00000
    141       2.9670      0.00000
    142       3.0858      0.00000
    143       3.1934      0.00000
    144       3.2444      0.00000
    145       3.2604      0.00000
    146       3.3001      0.00000
    147       3.3407      0.00000
    148       3.4840      0.00000
    149       3.5115      0.00000
    150       3.7146      0.00000
    151       3.7252      0.00000
    152       3.7709      0.00000
    153       3.8630      0.00000
    154       3.8764      0.00000
    155       3.9031      0.00000
    156       3.9995      0.00000
    157       4.0059      0.00000
    158       4.0597      0.00000
    159       4.0676      0.00000
    160       4.0900      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3201      1.00000
      2     -21.7620      1.00000
      3     -21.5681      1.00000
      4     -21.5408      1.00000
      5     -21.2054      1.00000
      6     -21.1663      1.00000
      7     -20.9860      1.00000
      8     -20.0991      1.00000
      9     -20.0600      1.00000
     10     -19.5468      1.00000
     11     -19.5262      1.00000
     12     -19.3451      1.00000
     13     -19.0287      1.00000
     14     -18.9885      1.00000
     15     -18.9777      1.00000
     16     -18.9718      1.00000
     17     -18.2963      1.00000
     18     -18.2825      1.00000
     19     -17.9465      1.00000
     20     -17.0007      1.00000
     21     -16.9598      1.00000
     22     -16.8829      1.00000
     23     -16.8698      1.00000
     24     -16.4162      1.00000
     25     -16.3936      1.00000
     26     -15.5409      1.00000
     27     -15.5376      1.00000
     28     -15.1727      1.00000
     29     -15.1714      1.00000
     30     -15.1317      1.00000
     31     -15.0371      1.00000
     32     -15.0011      1.00000
     33     -14.6334      1.00000
     34     -14.6266      1.00000
     35     -13.6628      1.00000
     36     -13.6531      1.00000
     37     -13.1715      1.00000
     38     -12.5740      1.00000
     39     -12.5133      1.00000
     40     -12.3860      1.00000
     41     -12.3857      1.00000
     42     -12.0350      1.00000
     43     -12.0312      1.00000
     44     -11.6548      1.00000
     45     -11.6145      1.00000
     46     -11.2072      1.00000
     47     -11.1570      1.00000
     48     -10.9557      1.00000
     49     -10.9426      1.00000
     50     -10.8604      1.00000
     51     -10.8281      1.00000
     52     -10.6259      1.00000
     53     -10.1472      1.00000
     54     -10.0850      1.00000
     55     -10.0258      1.00000
     56      -9.9467      1.00000
     57      -9.6312      1.00000
     58      -9.6294      1.00000
     59      -9.6034      1.00000
     60      -9.5406      1.00000
     61      -9.5035      1.00000
     62      -9.4788      1.00000
     63      -9.2732      1.00000
     64      -9.2357      1.00000
     65      -9.2076      1.00000
     66      -9.1793      1.00000
     67      -9.0625      1.00000
     68      -9.0473      1.00000
     69      -9.0438      1.00000
     70      -8.8771      1.00000
     71      -8.8085      1.00000
     72      -8.5362      1.00000
     73      -8.5323      1.00000
     74      -8.5011      1.00000
     75      -8.0319      1.00000
     76      -7.8320      1.00000
     77      -7.8004      1.00000
     78      -7.7739      1.00000
     79      -7.7040      1.00000
     80      -7.6845      1.00000
     81      -7.4137      1.00000
     82      -7.2884      1.00000
     83      -7.2514      1.00000
     84      -7.2040      1.00000
     85      -7.0822      1.00000
     86      -7.0751      1.00000
     87      -6.9376      1.00000
     88      -6.7118      1.00000
     89      -6.6746      1.00000
     90      -6.6294      1.00000
     91      -6.5572      1.00000
     92      -6.0723      1.00000
     93      -6.0321      1.00000
     94      -6.0011      1.00000
     95      -5.9370      1.00000
     96      -5.8006      1.00000
     97      -5.1820      1.00000
     98      -4.8954      1.00000
     99      -4.7942      1.00000
    100      -4.6111      1.00000
    101      -4.5126      1.00000
    102      -4.1409      1.00000
    103      -4.0913      1.00000
    104      -3.9307      1.00000
    105      -3.9166      1.00000
    106      -3.8281      1.00000
    107      -1.7516      0.00000
    108      -1.6957      0.00000
    109      -1.4101      0.00000
    110      -1.3717      0.00000
    111      -1.2643      0.00000
    112      -1.2359      0.00000
    113      -0.6240      0.00000
    114      -0.5988      0.00000
    115      -0.1897      0.00000
    116       0.0425      0.00000
    117       0.5843      0.00000
    118       0.7412      0.00000
    119       0.8499      0.00000
    120       0.9283      0.00000
    121       1.1676      0.00000
    122       1.2113      0.00000
    123       1.2464      0.00000
    124       1.4200      0.00000
    125       1.5990      0.00000
    126       1.6406      0.00000
    127       1.7051      0.00000
    128       1.8078      0.00000
    129       1.9235      0.00000
    130       1.9402      0.00000
    131       2.1504      0.00000
    132       2.1736      0.00000
    133       2.2627      0.00000
    134       2.3036      0.00000
    135       2.5437      0.00000
    136       2.5606      0.00000
    137       2.6425      0.00000
    138       2.7620      0.00000
    139       2.8157      0.00000
    140       2.8498      0.00000
    141       2.8940      0.00000
    142       2.9459      0.00000
    143       3.0155      0.00000
    144       3.0295      0.00000
    145       3.0909      0.00000
    146       3.3158      0.00000
    147       3.3740      0.00000
    148       3.4223      0.00000
    149       3.4824      0.00000
    150       3.6129      0.00000
    151       3.6599      0.00000
    152       3.6723      0.00000
    153       3.6825      0.00000
    154       3.8950      0.00000
    155       3.9828      0.00000
    156       4.0286      0.00000
    157       4.0754      0.00000
    158       4.2418      0.00000
    159       4.2594      0.00000
    160       4.2694      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1414      1.00000
      2     -22.0485      1.00000
      3     -21.8864      1.00000
      4     -21.3358      1.00000
      5     -20.9771      1.00000
      6     -20.9475      1.00000
      7     -20.4285      1.00000
      8     -20.3963      1.00000
      9     -20.2166      1.00000
     10     -20.2143      1.00000
     11     -19.8881      1.00000
     12     -19.8243      1.00000
     13     -18.8180      1.00000
     14     -18.7472      1.00000
     15     -18.2660      1.00000
     16     -18.2522      1.00000
     17     -18.0807      1.00000
     18     -18.0736      1.00000
     19     -17.7460      1.00000
     20     -17.7307      1.00000
     21     -17.1954      1.00000
     22     -17.1716      1.00000
     23     -17.0888      1.00000
     24     -17.0682      1.00000
     25     -16.0549      1.00000
     26     -15.8086      1.00000
     27     -15.7990      1.00000
     28     -15.7779      1.00000
     29     -15.1591      1.00000
     30     -14.4858      1.00000
     31     -14.4644      1.00000
     32     -14.2040      1.00000
     33     -13.9174      1.00000
     34     -13.8871      1.00000
     35     -13.7596      1.00000
     36     -13.7391      1.00000
     37     -13.5361      1.00000
     38     -13.5106      1.00000
     39     -13.3019      1.00000
     40     -12.5774      1.00000
     41     -12.1010      1.00000
     42     -12.0774      1.00000
     43     -11.9984      1.00000
     44     -11.9511      1.00000
     45     -11.6064      1.00000
     46     -11.5986      1.00000
     47     -11.0850      1.00000
     48     -11.0609      1.00000
     49     -10.7319      1.00000
     50     -10.6647      1.00000
     51     -10.5603      1.00000
     52     -10.1402      1.00000
     53     -10.1358      1.00000
     54     -10.1010      1.00000
     55      -9.9667      1.00000
     56      -9.9256      1.00000
     57      -9.9218      1.00000
     58      -9.7519      1.00000
     59      -9.7295      1.00000
     60      -9.6978      1.00000
     61      -9.6948      1.00000
     62      -9.4013      1.00000
     63      -9.3890      1.00000
     64      -9.0692      1.00000
     65      -8.9832      1.00000
     66      -8.9817      1.00000
     67      -8.9057      1.00000
     68      -8.8122      1.00000
     69      -8.6502      1.00000
     70      -8.6340      1.00000
     71      -8.5486      1.00000
     72      -8.5017      1.00000
     73      -8.4826      1.00000
     74      -8.3942      1.00000
     75      -8.3830      1.00000
     76      -8.2101      1.00000
     77      -8.1023      1.00000
     78      -8.0071      1.00000
     79      -7.9022      1.00000
     80      -7.8440      1.00000
     81      -7.6219      1.00000
     82      -7.5329      1.00000
     83      -7.4569      1.00000
     84      -7.2533      1.00000
     85      -6.9442      1.00000
     86      -6.8693      1.00000
     87      -6.8106      1.00000
     88      -6.4784      1.00000
     89      -6.4680      1.00000
     90      -6.4094      1.00000
     91      -6.3601      1.00000
     92      -6.1914      1.00000
     93      -5.8583      1.00000
     94      -5.7380      1.00000
     95      -5.7113      1.00000
     96      -5.5240      1.00000
     97      -5.3298      1.00000
     98      -5.1722      1.00000
     99      -5.1678      1.00000
    100      -5.1342      1.00000
    101      -4.6963      1.00000
    102      -4.3486      1.00000
    103      -4.2805      1.00000
    104      -4.0297      1.00000
    105      -3.8305      1.00000
    106      -3.2334      1.00000
    107      -2.4047      0.00000
    108      -1.3455      0.00000
    109      -1.2444      0.00000
    110      -1.1526      0.00000
    111      -1.1082      0.00000
    112      -0.5828      0.00000
    113      -0.5217      0.00000
    114      -0.4339      0.00000
    115      -0.2746      0.00000
    116      -0.0708      0.00000
    117      -0.0110      0.00000
    118       0.0598      0.00000
    119       0.5836      0.00000
    120       0.7108      0.00000
    121       0.8099      0.00000
    122       0.9442      0.00000
    123       1.1833      0.00000
    124       1.5106      0.00000
    125       1.6200      0.00000
    126       1.8624      0.00000
    127       2.0052      0.00000
    128       2.0514      0.00000
    129       2.1147      0.00000
    130       2.1573      0.00000
    131       2.2699      0.00000
    132       2.2860      0.00000
    133       2.3507      0.00000
    134       2.4621      0.00000
    135       2.6124      0.00000
    136       2.7019      0.00000
    137       2.8201      0.00000
    138       2.9150      0.00000
    139       2.9431      0.00000
    140       3.0213      0.00000
    141       3.0528      0.00000
    142       3.1578      0.00000
    143       3.1682      0.00000
    144       3.2315      0.00000
    145       3.2997      0.00000
    146       3.3117      0.00000
    147       3.3537      0.00000
    148       3.3737      0.00000
    149       3.4176      0.00000
    150       3.4497      0.00000
    151       3.5664      0.00000
    152       3.6141      0.00000
    153       3.7067      0.00000
    154       3.7297      0.00000
    155       3.8485      0.00000
    156       3.9103      0.00000
    157       3.9322      0.00000
    158       3.9639      0.00000
    159       4.1496      0.00000
    160       4.1841      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2141      1.00000
      2     -22.0088      1.00000
      3     -21.6468      1.00000
      4     -21.6154      1.00000
      5     -20.9104      1.00000
      6     -20.8696      1.00000
      7     -20.5398      1.00000
      8     -20.5071      1.00000
      9     -20.5002      1.00000
     10     -19.9629      1.00000
     11     -19.4417      1.00000
     12     -19.4191      1.00000
     13     -19.2405      1.00000
     14     -19.2332      1.00000
     15     -18.3767      1.00000
     16     -18.3414      1.00000
     17     -17.8594      1.00000
     18     -17.8430      1.00000
     19     -17.6919      1.00000
     20     -17.6558      1.00000
     21     -17.3728      1.00000
     22     -17.3583      1.00000
     23     -17.2675      1.00000
     24     -16.4138      1.00000
     25     -16.3904      1.00000
     26     -15.9055      1.00000
     27     -15.3438      1.00000
     28     -15.3390      1.00000
     29     -15.0313      1.00000
     30     -15.0217      1.00000
     31     -14.7762      1.00000
     32     -14.7744      1.00000
     33     -14.2387      1.00000
     34     -14.1873      1.00000
     35     -13.3887      1.00000
     36     -13.3336      1.00000
     37     -13.1112      1.00000
     38     -13.1033      1.00000
     39     -12.9187      1.00000
     40     -12.9129      1.00000
     41     -12.5454      1.00000
     42     -12.5379      1.00000
     43     -12.1342      1.00000
     44     -11.5138      1.00000
     45     -11.4693      1.00000
     46     -11.2448      1.00000
     47     -11.2132      1.00000
     48     -11.0872      1.00000
     49     -10.7070      1.00000
     50     -10.5955      1.00000
     51     -10.5099      1.00000
     52     -10.2520      1.00000
     53     -10.2481      1.00000
     54     -10.1223      1.00000
     55     -10.0540      1.00000
     56     -10.0394      1.00000
     57      -9.7853      1.00000
     58      -9.6878      1.00000
     59      -9.6742      1.00000
     60      -9.6381      1.00000
     61      -9.6284      1.00000
     62      -9.5861      1.00000
     63      -9.2961      1.00000
     64      -9.2842      1.00000
     65      -9.2529      1.00000
     66      -9.0658      1.00000
     67      -8.8950      1.00000
     68      -8.8844      1.00000
     69      -8.7188      1.00000
     70      -8.5820      1.00000
     71      -8.5260      1.00000
     72      -8.3512      1.00000
     73      -8.3050      1.00000
     74      -8.2432      1.00000
     75      -8.2387      1.00000
     76      -8.1940      1.00000
     77      -8.1818      1.00000
     78      -8.1696      1.00000
     79      -8.1081      1.00000
     80      -7.6901      1.00000
     81      -7.4186      1.00000
     82      -7.3450      1.00000
     83      -7.2585      1.00000
     84      -7.1696      1.00000
     85      -7.1112      1.00000
     86      -7.0044      1.00000
     87      -6.9042      1.00000
     88      -6.8476      1.00000
     89      -6.5414      1.00000
     90      -6.4995      1.00000
     91      -6.2136      1.00000
     92      -6.2012      1.00000
     93      -5.8948      1.00000
     94      -5.6742      1.00000
     95      -5.6084      1.00000
     96      -5.5807      1.00000
     97      -5.2533      1.00000
     98      -5.2317      1.00000
     99      -5.1651      1.00000
    100      -5.1348      1.00000
    101      -4.6001      1.00000
    102      -4.2503      1.00000
    103      -4.0463      1.00000
    104      -3.8850      1.00000
    105      -3.8424      1.00000
    106      -3.8010      1.00000
    107      -1.8073      0.00000
    108      -1.7803      0.00000
    109      -1.2256      0.00000
    110      -1.1761      0.00000
    111      -0.9736      0.00000
    112      -0.7342      0.00000
    113      -0.6502      0.00000
    114      -0.5938      0.00000
    115      -0.5497      0.00000
    116      -0.1524      0.00000
    117       0.1760      0.00000
    118       0.2880      0.00000
    119       0.7057      0.00000
    120       0.9493      0.00000
    121       1.1693      0.00000
    122       1.2781      0.00000
    123       1.3461      0.00000
    124       1.5125      0.00000
    125       1.6084      0.00000
    126       1.6285      0.00000
    127       1.6922      0.00000
    128       1.7742      0.00000
    129       1.8649      0.00000
    130       2.0821      0.00000
    131       2.1672      0.00000
    132       2.3228      0.00000
    133       2.3943      0.00000
    134       2.4255      0.00000
    135       2.5567      0.00000
    136       2.6250      0.00000
    137       2.6895      0.00000
    138       2.7504      0.00000
    139       2.8210      0.00000
    140       2.9108      0.00000
    141       3.0570      0.00000
    142       3.0618      0.00000
    143       3.1849      0.00000
    144       3.2837      0.00000
    145       3.3803      0.00000
    146       3.4163      0.00000
    147       3.4614      0.00000
    148       3.5514      0.00000
    149       3.5799      0.00000
    150       3.6361      0.00000
    151       3.6662      0.00000
    152       3.7018      0.00000
    153       3.7909      0.00000
    154       3.8041      0.00000
    155       3.8252      0.00000
    156       3.8947      0.00000
    157       3.9122      0.00000
    158       3.9808      0.00000
    159       4.1911      0.00000
    160       4.2355      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0397   -7.2559    3.9840   -1.1322   -0.1857   17.3768    0.4892   -0.8146    0.7715   -0.4766
x    -3.1255   -0.0254   -0.0210   -0.0257    0.0912   -3.0539    0.0299   -0.0244    0.0084    0.0018
x    -0.0954   -0.0028    0.0035   -0.0031    0.0021   -0.0242    0.0000    0.0000   -0.0001    0.0001
x    -0.0035   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0397    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0034    0.0000    0.0004    0.0007    0.0028   -0.0984   -0.0314    0.0620    0.0184
y     0.0230   -3.2428   -0.1793    0.1705   -2.4168   -0.6650
z   204.0397    1.7424    0.2896    0.0895   -0.0013    0.0775   -0.0019    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1048    0.0015   -0.0010   -0.0001    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0013   -0.0001    0.0001    0.0000
z    -0.0001    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  -16.6994
z     0.1382    0.2296   -0.0315    0.0575   -0.0902    0.0006
 total charge-density along one line
x   212.0000  -10.0871    5.9308   -1.9411   -0.4214   19.2961   -0.6601    0.2076    0.0667   -0.1061
x    -2.7055   -0.0091    0.0013   -0.0445    0.0968   -2.3452    0.0474   -0.0344    0.0117    0.0024
x    -0.0855   -0.0054    0.0083   -0.0079    0.0053   -0.0375    0.0000   -0.0001    0.0004   -0.0004
x    -0.0054    0.0000   -0.0002    0.0001    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  -10.0871    5.9308   -1.9411   -0.4214   19.2962   -0.6601    0.2076    0.0667   -0.1061
y    -2.7055   -0.0091    0.0013   -0.0445    0.0968   -2.3452    0.0474   -0.0344    0.0117    0.0024
y    -0.0855   -0.0054    0.0083   -0.0079    0.0053   -0.0375    0.0000   -0.0001    0.0004   -0.0004
y    -0.0054    0.0000   -0.0002    0.0001    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 -205.3060  188.8719 -170.1691  154.0914 -140.4149  126.5109 -111.0288   94.7566  -79.0899
z    64.7225  -51.7869   40.5544  -31.5079   24.7903  -19.8667   15.8664  -12.2169    8.9099   -6.2239
z     4.2932   -2.9608    1.9622   -1.1535    0.5431   -0.1580   -0.0602    0.2212   -0.3839    0.5190
z    -0.5685    0.5248   -0.4409    0.3767   -0.3479    0.3294   -0.2951    0.2451   -0.1976    0.1643
z    -0.1416    0.1197   -0.0959    0.0748   -0.0611    0.0533   -0.0469    0.0391   -0.0314    0.0258
z    -0.0227    0.0203   -0.0173    0.0141   -0.0113    0.0093   -0.0076    0.0058   -0.0043    0.0032
z    -0.0022    0.0013   -0.0004   -0.0002    0.0004   -0.0004    0.0005   -0.0008    0.0009   -0.0007
z     0.0004   -0.0002    0.0001   -0.0001    0.0000    0.0002   -0.0003    0.0003   -0.0003    0.0003
z    -0.0003    0.0003   -0.0002    0.0002   -0.0002    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001
z     0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 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
-10.940   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.269   0.000  -0.101   0.000   0.000   0.239   0.000
  0.041   0.000 -11.245   0.000  -0.024  -0.006   0.000   0.238
  0.000  -0.101   0.000 -11.152   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.938   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.238   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.226   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.199   0.000   0.000   0.000
  0.036   0.000   0.100   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.026   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.940   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.269   0.000  -0.101   0.000   0.000   0.239   0.000
  0.041   0.000 -11.245   0.000  -0.024  -0.006   0.000   0.238
  0.000  -0.101   0.000 -11.152   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.938   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.238   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.226   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.199   0.000   0.000   0.000
  0.036   0.000   0.100   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.026   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.960   0.000  -0.027   0.000   0.002   0.021   0.000   0.057   0.000  -0.014  -0.026   0.025   0.000  -0.001   0.000   0.000
  0.000   1.586   0.000  -0.147   0.000   0.000   0.594   0.000   0.259   0.000   0.000   0.000   0.160   0.000   0.106  -0.035
 -0.027   0.000   1.788   0.000   0.019   0.043   0.000   0.355   0.000  -0.026  -0.233  -0.043   0.000   0.096   0.000   0.000
  0.000  -0.147   0.000   1.755   0.000   0.000   0.259   0.000   0.294   0.000   0.000   0.000   0.108   0.000   0.039   0.005
  0.002   0.000   0.019   0.000   1.966  -0.014   0.000  -0.035   0.000   0.003   0.010  -0.015   0.000   0.003   0.000   0.000
  0.021   0.000   0.043   0.000  -0.014   0.063   0.000   0.101   0.000  -0.024   0.192  -0.052   0.000   0.116   0.000   0.000
  0.000   0.594   0.000   0.259   0.000   0.000   0.329   0.000   0.106   0.000   0.000   0.000   0.057   0.000   0.066  -0.011
  0.057   0.000   0.355   0.000  -0.035   0.101   0.000   0.563   0.000  -0.057   0.701  -0.292   0.000   0.087   0.000   0.000
  0.000   0.259   0.000   0.294   0.000   0.000   0.106   0.000   0.207   0.000   0.000   0.000   0.065   0.000  -0.020  -0.006
 -0.014   0.000  -0.026   0.000   0.003  -0.024   0.000  -0.057   0.000   0.036  -0.109   0.030   0.000  -0.068   0.000   0.000
 -0.026   0.000  -0.233   0.000   0.010   0.192   0.000   0.701   0.000  -0.109   1.351  -0.432   0.000   0.266   0.000   0.000
  0.025   0.000  -0.043   0.000  -0.015  -0.052   0.000  -0.292   0.000   0.030  -0.432   0.192   0.000  -0.034   0.000   0.000
  0.000   0.160   0.000   0.108   0.000   0.000   0.057   0.000   0.065   0.000   0.000   0.000   0.043   0.000   0.012  -0.004
 -0.001   0.000   0.096   0.000   0.003   0.116   0.000   0.087   0.000  -0.068   0.266  -0.034   0.000   0.310   0.000   0.000
  0.000   0.106   0.000   0.039   0.000   0.000   0.066   0.000  -0.020   0.000   0.000   0.000   0.012   0.000   0.031  -0.002
  0.000  -0.035   0.000   0.005   0.000   0.000  -0.011   0.000  -0.006   0.000   0.000   0.000  -0.004   0.000  -0.002   0.001
  0.001   0.000  -0.037   0.000  -0.001  -0.005   0.000  -0.009   0.000   0.003  -0.007   0.000   0.000  -0.014   0.000   0.000
  0.000   0.005   0.000  -0.041   0.000   0.000  -0.006   0.000  -0.004   0.000   0.000   0.000  -0.002   0.000  -0.002   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        0.639   0.277   8.026   8.942
  2        0.514   0.028   0.000   0.542
  3        0.514   0.028   0.000   0.542
  4        0.864   1.783   0.000   2.647
  5        0.864   1.783   0.000   2.646
  6        0.864   1.782   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   1.783   0.000   2.647
 10        0.864   1.784   0.000   2.647
 11        0.863   1.783   0.000   2.646
 12        0.864   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.646
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.863   1.777   0.000   2.640
 17        0.856   1.773   0.000   2.629
 18        0.864   1.784   0.000   2.648
 19        0.864   1.782   0.000   2.646
 20        0.864   1.782   0.000   2.646
 21        0.863   1.781   0.000   2.644
 22        0.863   1.776   0.000   2.639
 23        0.863   1.783   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   1.783   0.000   2.647
 29        0.864   1.783   0.000   2.647
 30        0.864   1.783   0.000   2.647
 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   1.782   0.000   2.646
 35        0.863   1.783   0.000   2.646
 36        0.863   1.776   0.000   2.639
 37        0.863   1.781   0.000   2.644
 38        0.864   1.782   0.000   2.646
 39        0.864   1.784   0.000   2.648
 40        0.864   1.784   0.000   2.648
 41        0.856   1.773   0.000   2.629
 42        0.863   1.777   0.000   2.640
 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   2.646
 46        0.864   1.785   0.000   2.648
 47        0.863   1.783   0.000   2.646
 48        0.864   1.784   0.000   2.647
 49        0.864   1.783   0.000   2.647
 50        0.864   1.783   0.000   2.647
 51        0.864   1.784   0.000   2.648
 52        0.864   1.782   0.000   2.646
 53        0.864   1.783   0.000   2.646
------------------------------------------------
tot       44.832  89.437   8.026 142.295
 


 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   90.62: CPU time   45.74
    FORLOC:  VPU time    1.09: CPU time    1.10
    FORNL :  VPU time  363.13: CPU time  182.00
    STRESS:  VPU time 1092.69: CPU time  549.05
    FORCOR:  VPU time    7.43: CPU time    7.43
    FORHAR:  VPU time    1.96: CPU time    1.97
    MIXING:  VPU time    0.14: CPU time    0.13
 d Force = 0.1620404E-04[ 0.154E-04, 0.170E-04]  d Energy = 0.1708767E-04-0.884E-06
 d Force = 0.3048898E+00[ 0.305E+00, 0.305E+00]  d Ewald  =-0.3930073E+00 0.698E+00


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.644804 eV

  energy  without entropy=     -471.644804  energy(sigma->0) =     -471.644804
 

  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    40731.91  40748.35 -47433.37     14.24      0.00      0.00
  Hartree  40197.72  40201.47 -39452.16      3.25      0.00      0.00
  E(xc)     -779.75   -779.55   -807.27      0.17      0.00      0.00
  Local   -83222.82 -83236.93  84202.94    -12.22      0.00      0.00
  n-local   -215.80   -215.69   -203.82     -0.16      0.00      0.00
  augment     22.09     20.53     17.35     -1.35      0.00      0.00
  Kinetic   3168.74   3171.48   3582.19     -6.09      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.19     -0.19     -0.20      0.00      0.00      0.00
  in kB       -0.12     -0.12     -0.12      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
    12.347475000  0.001627076  0.000000000     0.080982059  0.046740854  0.000000000
    -6.172335053 10.694036612  0.000000000    -0.000012321  0.093502948  0.000000000
     0.000000000  0.000000000 19.977084910     0.000000000  0.000000000  0.050057353

  length of vectors
    12.347475107 12.347475007 19.977084910     0.093502948  0.093502949  0.050057353


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.407E-05 -.457E-04 -.960E+03   0.434E-05 -.275E-04 0.968E+03   -.907E-23 -.132E-22 -.788E+01   -.286E-07 0.140E-07 0.270E-02
   -.175E+02 -.304E+02 -.136E+03   0.184E+02 0.318E+02 0.139E+03   -.828E+00 -.143E+01 -.258E+01   -.121E-03 -.211E-03 -.279E-03
   0.175E+02 0.304E+02 -.136E+03   -.184E+02 -.318E+02 0.139E+03   0.828E+00 0.143E+01 -.258E+01   0.121E-03 0.211E-03 -.279E-03
   -.197E+01 0.114E+01 0.169E+02   0.198E+01 -.114E+01 -.169E+02   -.102E-01 0.591E-02 -.740E-02   -.162E-03 0.906E-04 0.134E-02
   0.582E+01 0.687E+01 0.196E+02   -.582E+01 -.690E+01 -.196E+02   0.531E-02 0.353E-01 -.204E-01   0.473E-04 -.229E-03 0.128E-02
   0.112E+02 0.506E+01 0.183E+02   -.113E+02 -.507E+01 -.183E+02   0.275E-01 0.961E-02 -.553E-01   -.104E-03 -.197E-03 0.268E-03
   0.453E+01 -.101E+01 0.164E+02   -.455E+01 0.102E+01 -.164E+02   0.205E-01 -.183E-01 -.228E-02   -.187E-03 -.728E-04 -.152E-03
   -.293E+01 -.242E+01 0.149E+02   0.294E+01 0.243E+01 -.149E+02   -.153E-01 -.150E-01 -.202E-02   -.194E-03 -.890E-04 0.670E-03
   0.629E+00 0.374E+01 0.149E+02   -.636E+00 -.376E+01 -.149E+02   0.531E-02 0.207E-01 -.202E-02   -.254E-04 0.207E-03 0.666E-03
   0.274E+01 0.182E+02 0.246E+02   -.275E+01 -.184E+02 -.246E+02   0.699E-02 0.107E+00 -.852E-02   -.611E-04 -.235E-05 0.369E-03
   0.215E+02 0.226E+02 0.399E+02   -.216E+02 -.228E+02 -.399E+02   0.116E+00 0.231E+00 -.163E-01   -.161E-03 -.454E-03 -.985E-03
   0.265E+02 -.452E+01 0.270E+02   -.268E+02 0.464E+01 -.270E+02   0.237E+00 -.118E+00 -.568E-01   -.292E-03 -.219E-03 -.862E-03
   0.921E+01 -.532E+01 0.155E+02   -.923E+01 0.533E+01 -.155E+02   0.154E-01 -.888E-02 0.834E-03   -.111E-03 0.579E-04 0.198E-03
   0.314E+01 -.342E+01 0.164E+02   -.316E+01 0.343E+01 -.164E+02   0.261E-01 -.856E-02 -.228E-02   -.329E-04 0.195E-03 -.161E-03
   -.606E+01 0.132E+02 0.201E+02   0.606E+01 -.133E+02 -.200E+02   -.416E-02 0.730E-01 -.900E-02   -.392E-04 0.809E-04 -.529E-03
   -.123E+02 0.335E+02 0.461E+02   0.123E+02 -.342E+02 -.465E+02   -.952E-01 0.681E+00 0.349E+00   0.114E-03 -.511E-03 -.778E-03
   0.265E+02 -.153E+02 0.697E+02   -.274E+02 0.158E+02 -.718E+02   0.970E+00 -.560E+00 0.210E+01   0.578E-04 -.361E-04 0.639E-03
   0.172E+02 -.207E+02 0.270E+02   -.174E+02 0.209E+02 -.270E+02   0.220E+00 -.146E+00 -.568E-01   0.412E-04 0.354E-03 -.867E-03
   0.124E+01 -.123E+02 0.183E+02   -.125E+01 0.123E+02 -.183E+02   0.541E-02 -.286E-01 -.553E-01   0.122E-03 0.188E-03 0.262E-03
   -.388E+01 0.154E+01 0.144E+02   0.388E+01 -.154E+01 -.143E+02   -.722E-02 0.381E-02 -.406E-01   0.837E-04 -.128E-03 0.274E-03
   -.182E+02 0.105E+02 0.211E+02   0.182E+02 -.105E+02 -.210E+02   -.660E-01 0.381E-01 -.125E+00   0.143E-03 -.788E-04 -.327E-03
   -.351E+02 -.614E+01 0.461E+02   0.358E+02 0.640E+01 -.465E+02   -.637E+00 -.258E+00 0.349E+00   0.503E-03 0.156E-03 -.774E-03
   -.883E+01 -.299E+02 0.399E+02   0.897E+01 0.301E+02 -.399E+02   -.143E+00 -.216E+00 -.163E-01   0.316E-03 0.362E-03 -.987E-03
   -.304E+01 -.847E+01 0.196E+02   0.306E+01 0.849E+01 -.196E+02   -.279E-01 -.223E-01 -.204E-01   0.224E-03 0.715E-04 0.128E-02
   0.127E+01 -.736E+00 0.146E+02   -.127E+01 0.736E+00 -.146E+02   -.270E-02 0.156E-02 -.317E-01   0.135E-03 -.759E-04 0.998E-03
   -.327E+01 0.259E+01 0.144E+02   0.327E+01 -.259E+01 -.143E+02   -.691E-02 0.435E-02 -.406E-01   0.155E-03 -.367E-05 0.279E-03
   -.145E+02 -.135E+01 0.201E+02   0.145E+02 0.138E+01 -.200E+02   -.653E-01 -.329E-01 -.900E-02   -.878E-04 -.802E-05 -.521E-03
   -.144E+02 -.115E+02 0.246E+02   0.145E+02 0.116E+02 -.246E+02   -.892E-01 -.596E-01 -.852E-02   -.267E-04 0.489E-04 0.372E-03
   0.304E+01 0.847E+01 0.196E+02   -.306E+01 -.849E+01 -.196E+02   0.279E-01 0.223E-01 -.204E-01   -.224E-03 -.715E-04 0.128E-02
   0.144E+02 0.115E+02 0.246E+02   -.145E+02 -.116E+02 -.246E+02   0.892E-01 0.596E-01 -.852E-02   0.267E-04 -.488E-04 0.372E-03
   0.145E+02 0.135E+01 0.201E+02   -.145E+02 -.138E+01 -.200E+02   0.653E-01 0.329E-01 -.900E-02   0.878E-04 0.802E-05 -.521E-03
   0.327E+01 -.259E+01 0.144E+02   -.327E+01 0.259E+01 -.143E+02   0.691E-02 -.435E-02 -.406E-01   -.155E-03 0.367E-05 0.279E-03
   -.128E+01 0.736E+00 0.146E+02   0.127E+01 -.736E+00 -.146E+02   0.270E-02 -.156E-02 -.317E-01   -.135E-03 0.759E-04 0.998E-03
   -.124E+01 0.123E+02 0.183E+02   0.124E+01 -.123E+02 -.183E+02   -.541E-02 0.286E-01 -.553E-01   -.122E-03 -.188E-03 0.262E-03
   0.883E+01 0.299E+02 0.399E+02   -.897E+01 -.301E+02 -.399E+02   0.143E+00 0.216E+00 -.163E-01   -.316E-03 -.362E-03 -.987E-03
   0.351E+02 0.614E+01 0.461E+02   -.358E+02 -.640E+01 -.465E+02   0.637E+00 0.258E+00 0.349E+00   -.503E-03 -.156E-03 -.774E-03
   0.182E+02 -.105E+02 0.211E+02   -.182E+02 0.105E+02 -.210E+02   0.660E-01 -.381E-01 -.125E+00   -.143E-03 0.788E-04 -.327E-03
   0.388E+01 -.154E+01 0.144E+02   -.388E+01 0.154E+01 -.143E+02   0.722E-02 -.381E-02 -.406E-01   -.837E-04 0.128E-03 0.274E-03
   -.314E+01 0.342E+01 0.164E+02   0.316E+01 -.343E+01 -.164E+02   -.261E-01 0.856E-02 -.228E-02   0.329E-04 -.195E-03 -.161E-03
   -.172E+02 0.207E+02 0.270E+02   0.174E+02 -.209E+02 -.270E+02   -.220E+00 0.146E+00 -.568E-01   -.412E-04 -.354E-03 -.867E-03
   -.265E+02 0.153E+02 0.697E+02   0.274E+02 -.158E+02 -.718E+02   -.970E+00 0.560E+00 0.210E+01   -.578E-04 0.361E-04 0.639E-03
   0.123E+02 -.335E+02 0.461E+02   -.123E+02 0.342E+02 -.465E+02   0.952E-01 -.681E+00 0.349E+00   -.115E-03 0.511E-03 -.778E-03
   0.606E+01 -.132E+02 0.201E+02   -.606E+01 0.133E+02 -.200E+02   0.416E-02 -.730E-01 -.900E-02   0.392E-04 -.809E-04 -.529E-03
   -.629E+00 -.374E+01 0.149E+02   0.636E+00 0.376E+01 -.149E+02   -.531E-02 -.207E-01 -.202E-02   0.255E-04 -.207E-03 0.666E-03
   -.921E+01 0.532E+01 0.155E+02   0.923E+01 -.533E+01 -.155E+02   -.154E-01 0.888E-02 0.834E-03   0.111E-03 -.580E-04 0.198E-03
   -.265E+02 0.452E+01 0.270E+02   0.268E+02 -.464E+01 -.270E+02   -.237E+00 0.118E+00 -.568E-01   0.292E-03 0.219E-03 -.862E-03
   -.215E+02 -.226E+02 0.399E+02   0.216E+02 0.228E+02 -.399E+02   -.116E+00 -.231E+00 -.163E-01   0.161E-03 0.454E-03 -.985E-03
   -.274E+01 -.182E+02 0.246E+02   0.275E+01 0.184E+02 -.246E+02   -.699E-02 -.107E+00 -.852E-02   0.611E-04 0.234E-05 0.369E-03
   0.197E+01 -.114E+01 0.169E+02   -.198E+01 0.114E+01 -.169E+02   0.102E-01 -.591E-02 -.740E-02   0.162E-03 -.906E-04 0.134E-02
   0.293E+01 0.242E+01 0.149E+02   -.294E+01 -.243E+01 -.149E+02   0.153E-01 0.150E-01 -.202E-02   0.194E-03 0.890E-04 0.670E-03
   -.453E+01 0.101E+01 0.164E+02   0.455E+01 -.102E+01 -.164E+02   -.205E-01 0.183E-01 -.228E-02   0.187E-03 0.728E-04 -.152E-03
   -.112E+02 -.506E+01 0.183E+02   0.113E+02 0.507E+01 -.183E+02   -.275E-01 -.961E-02 -.553E-01   0.104E-03 0.197E-03 0.268E-03
   -.582E+01 -.687E+01 0.196E+02   0.582E+01 0.690E+01 -.196E+02   -.531E-02 -.353E-01 -.204E-01   -.473E-04 0.229E-03 0.128E-02
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.305E-03 0.859E+01   0.124E-13 0.142E-13 0.309E-12   -.451E-16 0.423E-15 -.860E+01   -.356E-07 0.169E-07 0.606E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85292      6.06066     12.33348         0.000000      0.000000      0.020098
      2.26048      6.76658     13.65285         0.003067      0.005312      0.005144
      1.44535      5.35474     13.65285        -0.003067     -0.005312      0.005144
      0.00058     -0.00034      9.95781        -0.002205      0.001273     -0.004073
     11.11224      2.13919      9.95958        -0.003008      0.006597     -0.003739
      9.87662      4.27877      9.97124         0.004823      0.000708     -0.000956
      8.64335      6.41811      9.97024         0.001318     -0.002488      0.000261
     -4.93623      8.55531      9.96597        -0.000252      0.001818     -0.002051
      2.47025     -0.00113      9.96597        -0.001700     -0.000691     -0.002051
      1.23476      2.13611      9.97091        -0.004077     -0.007745     -0.000711
     -0.00397      4.27467      9.99923        -0.002298      0.009478      0.002214
     -1.23846      6.41581     10.00515         0.000038      0.004793      0.001498
     -2.46705      8.55479      9.97847        -0.006707      0.003872     -0.001330
      4.93857      0.00124      9.97024         0.002814      0.000103      0.000261
      3.70484      2.13647      9.97816         0.002526     -0.004404      0.001108
      2.47081      4.26298     10.04277        -0.008819      0.000442      0.000620
      1.22847      6.42118     10.11453        -0.008937      0.005160     -0.002168
     -0.00034      8.56029     10.00515        -0.004132     -0.002429      0.001498
      7.40794      0.00287      9.97124         0.001798     -0.004531     -0.000956
      6.17343      2.13997      9.97135        -0.001036      0.003790     -0.001047
      4.94043      4.27808      9.99933        -0.006215      0.003588      0.000897
      3.71870      6.42439     10.04277        -0.004793      0.007416      0.000620
      2.47118      8.56176      9.99923        -0.009357     -0.002749      0.002214
      9.87868      0.00259      9.95958        -0.007217     -0.000694     -0.003739
      8.64273      2.14056      9.96244        -0.002346      0.001354     -0.002914
      7.40859      4.27933      9.97135        -0.003800     -0.000998     -0.001047
      6.17733      6.41894      9.97816         0.005077      0.000015      0.001108
      4.94260      8.55828      9.97091         0.004669      0.007403     -0.000711
     -0.00051      1.42469      9.95958         0.007217      0.000694     -0.003739
     -1.23677      3.56304      9.97091        -0.004669     -0.007403     -0.000711
     -2.47150      5.70237      9.97816        -0.005077     -0.000015      0.001108
     -3.70276      7.84199      9.97135         0.003800      0.000998     -0.001047
     -4.93689      9.98076      9.96244         0.002346     -0.001354     -0.002914
      2.47023      1.42441      9.97124        -0.001798      0.004531     -0.000956
      1.23465      3.55956      9.99923         0.009357      0.002749      0.002214
     -0.01287      5.69693     10.04277         0.004793     -0.007416      0.000620
     -1.23460      7.84324      9.99933         0.006215     -0.003588      0.000897
     -2.46760      9.98135      9.97135         0.001036     -0.003790     -0.001047
      4.93959      1.42604      9.97024        -0.002814     -0.000103      0.000261
      3.70617      3.56103     10.00515         0.004132      0.002429      0.001498
      2.47736      5.70013     10.11453         0.008937     -0.005160     -0.002168
      1.23502      7.85834     10.04277         0.008819     -0.000442      0.000620
      0.00099      9.98485      9.97816        -0.002526      0.004404      0.001108
      7.40792      1.42841      9.96597         0.001700      0.000691     -0.002051
      6.17288      3.56653      9.97847         0.006707     -0.003872     -0.001330
      4.94429      5.70551     10.00515        -0.000038     -0.004793      0.001498
      3.70980      7.84664      9.99923         0.002298     -0.009478      0.002214
      2.47107      9.98521      9.97091         0.004077      0.007745     -0.000711
      9.87758      1.42762      9.95781         0.002205     -0.001273     -0.004073
      8.64206      3.56601      9.96597         0.000252     -0.001818     -0.002051
      7.40995      5.70483      9.97024        -0.001318      0.002488      0.000261
      6.17668      7.84418      9.97124        -0.004823     -0.000708     -0.000956
      4.94107      9.98376      9.95958         0.003008     -0.006597     -0.003739
 -----------------------------------------------------------------------------------
    total drift:                               -0.001812      0.000305     -0.012044


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


 Conjugate gradient step on ions:
 trial-energy change:   -0.000017  1 .order   -0.000016   -0.000017   -0.000015
  (g-gl).g = 0.179E-03      g.g   = 0.177E-03  gl.gl    = 0.747E-04
 g(Force)  = 0.176E-03   g(Stress)= 0.173E-06 ortho     =-0.231E-05
 gamma     =   2.39626
 trial     =   0.10028
 opt step  =   0.40111  (harmonic =   0.94939) maximal distance =0.00094942
 next E    =  -471.644868   (d E  =  -0.00008)


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


    WAVPRE:  VPU time    1.68: CPU time    1.68
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.20: CPU time    1.20
    ORTHCH:  VPU time  151.61: CPU time   76.70
     LOOP+:  VPU time 4213.63: CPU time 2152.58


----------------------------------------- Iteration   17(   1)  ---------------------------------------


    POTLOK:  VPU time    7.80: CPU time    7.75
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1438.16: CPU time  733.60
 BZINTS: Fermi energy: -3.153106;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   90.63: CPU time   45.68
    MIXING:  VPU time    0.12: CPU time    0.12
    ------------------------------------------
      LOOP:  VPU time 1537.05: CPU time  787.47

 eigenvalue-minimisations  :  5848
 total energy-change (2. order) :-0.4716448E+03  (-0.5505771E-03)
 number of electron  212.0000029 magnetization    0.0000000
 augmentation part     7.9603755 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.14306E-02    rms(broyden)= 0.14299E-02
  rms(prec ) = 0.15333E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34048.08688976
  -1/2 Hartree   DENC   =    -40947.96466751
  -V(xc)+E(xc)   XCENC  =       726.60993698
  PAW double counting   =      4092.92738948    -4131.30940481
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.43483771
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64484022 eV

  energy without entropy =     -471.64484022  energy(sigma->0) =     -471.64484022


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




----------------------------------------- Iteration   17(   2)  ---------------------------------------


    POTLOK:  VPU time    7.75: CPU time    7.74
    SETDIJ:  VPU time    0.28: CPU time    0.29
    EDDAV :  VPU time 1163.88: CPU time  593.70
 BZINTS: Fermi energy: -3.154738;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1171.96: CPU time  601.77

 eigenvalue-minimisations  :  4320
 total energy-change (2. order) :-0.3765757E-05  (-0.9549739E-05)
 number of electron  212.0000029 magnetization    0.0000000
 augmentation part     7.9603755 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34048.08688976
  -1/2 Hartree   DENC   =    -40948.00701044
  -V(xc)+E(xc)   XCENC  =       726.61205648
  PAW double counting   =      4092.94480087    -4131.32614084
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.39529341
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64484398 eV

  energy without entropy =     -471.64484398  energy(sigma->0) =     -471.64484398


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




 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 -58.5395       2 -39.9800       3 -39.9800       4 -58.2448       5 -58.2493
       6 -58.2566       7 -58.2474       8 -58.2456       9 -58.2456      10 -58.2615
      11 -58.3163      12 -58.2932      13 -58.2507      14 -58.2474      15 -58.2584
      16 -58.4390      17 -58.7327      18 -58.2932      19 -58.2566      20 -58.2510
      21 -58.2783      22 -58.4390      23 -58.3163      24 -58.2493      25 -58.2444
      26 -58.2511      27 -58.2584      28 -58.2615      29 -58.2492      30 -58.2614
      31 -58.2583      32 -58.2510      33 -58.2443      34 -58.2565      35 -58.3162
      36 -58.4389      37 -58.2782      38 -58.2510      39 -58.2473      40 -58.2931
      41 -58.7326      42 -58.4389      43 -58.2583      44 -58.2455      45 -58.2506
      46 -58.2931      47 -58.3162      48 -58.2614      49 -58.2447      50 -58.2455
      51 -58.2473      52 -58.2565      53 -58.2492
 
 
 
 E-fermi :  -3.1547     XC(G=0):  -2.3434     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     -22.3575      1.00000
      2     -21.5379      1.00000
      3     -21.4081      1.00000
      4     -21.4070      1.00000
      5     -21.3758      1.00000
      6     -21.3666      1.00000
      7     -21.3593      1.00000
      8     -19.6474      1.00000
      9     -19.5730      1.00000
     10     -19.5659      1.00000
     11     -19.5592      1.00000
     12     -19.5413      1.00000
     13     -19.5385      1.00000
     14     -18.7291      1.00000
     15     -18.6806      1.00000
     16     -18.6729      1.00000
     17     -18.6594      1.00000
     18     -18.6441      1.00000
     19     -18.6424      1.00000
     20     -16.5866      1.00000
     21     -16.5272      1.00000
     22     -16.5248      1.00000
     23     -16.5120      1.00000
     24     -16.4875      1.00000
     25     -16.4860      1.00000
     26     -15.5599      1.00000
     27     -15.5275      1.00000
     28     -15.5266      1.00000
     29     -15.5003      1.00000
     30     -15.4953      1.00000
     31     -15.4895      1.00000
     32     -14.2071      1.00000
     33     -14.1809      1.00000
     34     -14.1685      1.00000
     35     -14.1658      1.00000
     36     -14.1606      1.00000
     37     -14.1495      1.00000
     38     -11.8847      1.00000
     39     -11.8092      1.00000
     40     -11.7928      1.00000
     41     -11.7926      1.00000
     42     -11.7891      1.00000
     43     -11.7832      1.00000
     44     -11.7055      1.00000
     45     -11.6990      1.00000
     46     -11.6735      1.00000
     47     -11.6587      1.00000
     48     -11.6583      1.00000
     49     -11.6515      1.00000
     50     -10.6745      1.00000
     51     -10.3298      1.00000
     52     -10.3218      1.00000
     53     -10.3064      1.00000
     54     -10.3051      1.00000
     55     -10.2919      1.00000
     56     -10.2788      1.00000
     57      -9.9280      1.00000
     58      -9.3736      1.00000
     59      -9.3600      1.00000
     60      -9.3008      1.00000
     61      -9.2926      1.00000
     62      -9.2858      1.00000
     63      -9.0934      1.00000
     64      -9.0551      1.00000
     65      -9.0502      1.00000
     66      -9.0271      1.00000
     67      -9.0080      1.00000
     68      -9.0023      1.00000
     69      -9.0016      1.00000
     70      -8.9957      1.00000
     71      -8.9928      1.00000
     72      -8.9724      1.00000
     73      -8.9649      1.00000
     74      -8.9553      1.00000
     75      -8.4970      1.00000
     76      -7.5148      1.00000
     77      -7.4113      1.00000
     78      -7.4108      1.00000
     79      -7.4008      1.00000
     80      -7.3839      1.00000
     81      -7.3652      1.00000
     82      -7.3413      1.00000
     83      -7.3104      1.00000
     84      -7.2696      1.00000
     85      -7.2071      1.00000
     86      -7.1808      1.00000
     87      -7.1806      1.00000
     88      -7.0752      1.00000
     89      -6.5093      1.00000
     90      -6.4619      1.00000
     91      -6.3557      1.00000
     92      -6.2940      1.00000
     93      -6.2883      1.00000
     94      -6.2871      1.00000
     95      -5.8978      1.00000
     96      -5.8853      1.00000
     97      -5.0475      1.00000
     98      -4.9375      1.00000
     99      -4.5398      1.00000
    100      -4.3415      1.00000
    101      -4.3185      1.00000
    102      -4.3177      1.00000
    103      -4.1154      1.00000
    104      -3.9128      1.00000
    105      -3.9013      1.00000
    106      -3.8337      1.00000
    107      -1.6825      0.00000
    108      -1.6685      0.00000
    109      -1.5367      0.00000
    110      -1.5353      0.00000
    111      -1.5231      0.00000
    112      -1.5092      0.00000
    113      -0.5869      0.00000
    114       0.1336      0.00000
    115       0.2065      0.00000
    116       0.3244      0.00000
    117       0.3263      0.00000
    118       0.3336      0.00000
    119       0.4951      0.00000
    120       0.5954      0.00000
    121       1.2585      0.00000
    122       1.2722      0.00000
    123       1.5268      0.00000
    124       1.7931      0.00000
    125       1.8035      0.00000
    126       1.8066      0.00000
    127       1.8116      0.00000
    128       1.9455      0.00000
    129       1.9795      0.00000
    130       2.0315      0.00000
    131       2.0456      0.00000
    132       2.0508      0.00000
    133       2.0549      0.00000
    134       2.0593      0.00000
    135       2.3060      0.00000
    136       2.3244      0.00000
    137       2.6131      0.00000
    138       2.6198      0.00000
    139       2.6493      0.00000
    140       2.7257      0.00000
    141       2.8616      0.00000
    142       3.0239      0.00000
    143       3.0495      0.00000
    144       3.0880      0.00000
    145       3.0949      0.00000
    146       3.0998      0.00000
    147       3.1019      0.00000
    148       3.2334      0.00000
    149       3.4479      0.00000
    150       3.5385      0.00000
    151       3.7874      0.00000
    152       3.9456      0.00000
    153       3.9527      0.00000
    154       3.9579      0.00000
    155       3.9649      0.00000
    156       3.9968      0.00000
    157       4.1794      0.00000
    158       4.2646      0.00000
    159       4.2872      0.00000
    160       4.2877      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3209      1.00000
      2     -21.7623      1.00000
      3     -21.5716      1.00000
      4     -21.5388      1.00000
      5     -21.2087      1.00000
      6     -21.1638      1.00000
      7     -20.9881      1.00000
      8     -20.1027      1.00000
      9     -20.0585      1.00000
     10     -19.5472      1.00000
     11     -19.5225      1.00000
     12     -19.3500      1.00000
     13     -19.0256      1.00000
     14     -18.9905      1.00000
     15     -18.9822      1.00000
     16     -18.9700      1.00000
     17     -18.2982      1.00000
     18     -18.2789      1.00000
     19     -17.9529      1.00000
     20     -17.0105      1.00000
     21     -16.9604      1.00000
     22     -16.8794      1.00000
     23     -16.8694      1.00000
     24     -16.4056      1.00000
     25     -16.3907      1.00000
     26     -15.5529      1.00000
     27     -15.5367      1.00000
     28     -15.1985      1.00000
     29     -15.1699      1.00000
     30     -15.1156      1.00000
     31     -15.0286      1.00000
     32     -15.0035      1.00000
     33     -14.6370      1.00000
     34     -14.6252      1.00000
     35     -13.6681      1.00000
     36     -13.6528      1.00000
     37     -13.1704      1.00000
     38     -12.5519      1.00000
     39     -12.5182      1.00000
     40     -12.3919      1.00000
     41     -12.3789      1.00000
     42     -12.0580      1.00000
     43     -12.0351      1.00000
     44     -11.6601      1.00000
     45     -11.6179      1.00000
     46     -11.1813      1.00000
     47     -11.1574      1.00000
     48     -10.9658      1.00000
     49     -10.9416      1.00000
     50     -10.8744      1.00000
     51     -10.8380      1.00000
     52     -10.6035      1.00000
     53     -10.0942      1.00000
     54     -10.0895      1.00000
     55     -10.0470      1.00000
     56      -9.9711      1.00000
     57      -9.6550      1.00000
     58      -9.6300      1.00000
     59      -9.5928      1.00000
     60      -9.5301      1.00000
     61      -9.5115      1.00000
     62      -9.4799      1.00000
     63      -9.2649      1.00000
     64      -9.2419      1.00000
     65      -9.2217      1.00000
     66      -9.1670      1.00000
     67      -9.0691      1.00000
     68      -9.0477      1.00000
     69      -9.0415      1.00000
     70      -8.8833      1.00000
     71      -8.8070      1.00000
     72      -8.5777      1.00000
     73      -8.5232      1.00000
     74      -8.4597      1.00000
     75      -8.0358      1.00000
     76      -7.8119      1.00000
     77      -7.8076      1.00000
     78      -7.7932      1.00000
     79      -7.7011      1.00000
     80      -7.6912      1.00000
     81      -7.3639      1.00000
     82      -7.2741      1.00000
     83      -7.2652      1.00000
     84      -7.2162      1.00000
     85      -7.1734      1.00000
     86      -7.0093      1.00000
     87      -6.9480      1.00000
     88      -6.7475      1.00000
     89      -6.6729      1.00000
     90      -6.5946      1.00000
     91      -6.5599      1.00000
     92      -6.0511      1.00000
     93      -6.0477      1.00000
     94      -6.0223      1.00000
     95      -5.9594      1.00000
     96      -5.7371      1.00000
     97      -5.1560      1.00000
     98      -4.9902      1.00000
     99      -4.7193      1.00000
    100      -4.6116      1.00000
    101      -4.4403      1.00000
    102      -4.3741      1.00000
    103      -4.1224      1.00000
    104      -3.8684      1.00000
    105      -3.8336      1.00000
    106      -3.7907      1.00000
    107      -1.7856      0.00000
    108      -1.7391      0.00000
    109      -1.3952      0.00000
    110      -1.3464      0.00000
    111      -1.2647      0.00000
    112      -1.2260      0.00000
    113      -0.7459      0.00000
    114      -0.3797      0.00000
    115      -0.2205      0.00000
    116      -0.0192      0.00000
    117       0.5897      0.00000
    118       0.7365      0.00000
    119       0.7641      0.00000
    120       1.0495      0.00000
    121       1.1414      0.00000
    122       1.2499      0.00000
    123       1.2706      0.00000
    124       1.4133      0.00000
    125       1.4792      0.00000
    126       1.5854      0.00000
    127       1.7559      0.00000
    128       1.8402      0.00000
    129       1.8963      0.00000
    130       1.9585      0.00000
    131       2.1051      0.00000
    132       2.2351      0.00000
    133       2.2493      0.00000
    134       2.2964      0.00000
    135       2.4894      0.00000
    136       2.6143      0.00000
    137       2.6367      0.00000
    138       2.7675      0.00000
    139       2.7999      0.00000
    140       2.8561      0.00000
    141       2.8661      0.00000
    142       2.8923      0.00000
    143       2.9559      0.00000
    144       3.0832      0.00000
    145       3.2814      0.00000
    146       3.3060      0.00000
    147       3.3744      0.00000
    148       3.4059      0.00000
    149       3.4675      0.00000
    150       3.5891      0.00000
    151       3.6368      0.00000
    152       3.6709      0.00000
    153       3.7091      0.00000
    154       3.9072      0.00000
    155       3.9410      0.00000
    156       3.9821      0.00000
    157       4.0832      0.00000
    158       4.2040      0.00000
    159       4.2466      0.00000
    160       4.2971      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2153      1.00000
      2     -22.0089      1.00000
      3     -21.6503      1.00000
      4     -21.6132      1.00000
      5     -20.9140      1.00000
      6     -20.8676      1.00000
      7     -20.5467      1.00000
      8     -20.5073      1.00000
      9     -20.4968      1.00000
     10     -19.9645      1.00000
     11     -19.4434      1.00000
     12     -19.4163      1.00000
     13     -19.2425      1.00000
     14     -19.2281      1.00000
     15     -18.3851      1.00000
     16     -18.3408      1.00000
     17     -17.8609      1.00000
     18     -17.8398      1.00000
     19     -17.6988      1.00000
     20     -17.6562      1.00000
     21     -17.3729      1.00000
     22     -17.3569      1.00000
     23     -17.2752      1.00000
     24     -16.4021      1.00000
     25     -16.3872      1.00000
     26     -15.8974      1.00000
     27     -15.3535      1.00000
     28     -15.3380      1.00000
     29     -15.0357      1.00000
     30     -15.0217      1.00000
     31     -14.8003      1.00000
     32     -14.7757      1.00000
     33     -14.2229      1.00000
     34     -14.1905      1.00000
     35     -13.3719      1.00000
     36     -13.3378      1.00000
     37     -13.1207      1.00000
     38     -13.1032      1.00000
     39     -12.9173      1.00000
     40     -12.9038      1.00000
     41     -12.5575      1.00000
     42     -12.5396      1.00000
     43     -12.1339      1.00000
     44     -11.5228      1.00000
     45     -11.4748      1.00000
     46     -11.2545      1.00000
     47     -11.2207      1.00000
     48     -11.0802      1.00000
     49     -10.6598      1.00000
     50     -10.5895      1.00000
     51     -10.5245      1.00000
     52     -10.2586      1.00000
     53     -10.2500      1.00000
     54     -10.1235      1.00000
     55     -10.0493      1.00000
     56     -10.0420      1.00000
     57      -9.7704      1.00000
     58      -9.7061      1.00000
     59      -9.6809      1.00000
     60      -9.6312      1.00000
     61      -9.6271      1.00000
     62      -9.5887      1.00000
     63      -9.2953      1.00000
     64      -9.2861      1.00000
     65      -9.2540      1.00000
     66      -9.0881      1.00000
     67      -8.8979      1.00000
     68      -8.8842      1.00000
     69      -8.7255      1.00000
     70      -8.5896      1.00000
     71      -8.5149      1.00000
     72      -8.3315      1.00000
     73      -8.3034      1.00000
     74      -8.2652      1.00000
     75      -8.2340      1.00000
     76      -8.1955      1.00000
     77      -8.1869      1.00000
     78      -8.1715      1.00000
     79      -8.1009      1.00000
     80      -7.6891      1.00000
     81      -7.3567      1.00000
     82      -7.3111      1.00000
     83      -7.2649      1.00000
     84      -7.1879      1.00000
     85      -7.1258      1.00000
     86      -7.0775      1.00000
     87      -6.9076      1.00000
     88      -6.8830      1.00000
     89      -6.5501      1.00000
     90      -6.4931      1.00000
     91      -6.2105      1.00000
     92      -6.0705      1.00000
     93      -5.9426      1.00000
     94      -5.7156      1.00000
     95      -5.6337      1.00000
     96      -5.4531      1.00000
     97      -5.3055      1.00000
     98      -5.2348      1.00000
     99      -5.1528      1.00000
    100      -5.1520      1.00000
    101      -4.5224      1.00000
    102      -4.4707      1.00000
    103      -4.1433      1.00000
    104      -3.8368      1.00000
    105      -3.7574      1.00000
    106      -3.6800      1.00000
    107      -1.8713      0.00000
    108      -1.8245      0.00000
    109      -1.2781      0.00000
    110      -1.0365      0.00000
    111      -1.0119      0.00000
    112      -0.7130      0.00000
    113      -0.6401      0.00000
    114      -0.5885      0.00000
    115      -0.5462      0.00000
    116      -0.2036      0.00000
    117       0.2521      0.00000
    118       0.2786      0.00000
    119       0.7597      0.00000
    120       0.9445      0.00000
    121       1.1324      0.00000
    122       1.2264      0.00000
    123       1.3196      0.00000
    124       1.4111      0.00000
    125       1.6009      0.00000
    126       1.6334      0.00000
    127       1.7013      0.00000
    128       1.8223      0.00000
    129       1.9193      0.00000
    130       2.0128      0.00000
    131       2.1082      0.00000
    132       2.3266      0.00000
    133       2.3960      0.00000
    134       2.4323      0.00000
    135       2.5408      0.00000
    136       2.6345      0.00000
    137       2.7547      0.00000
    138       2.8199      0.00000
    139       2.8326      0.00000
    140       2.8880      0.00000
    141       3.0453      0.00000
    142       3.0905      0.00000
    143       3.1865      0.00000
    144       3.2391      0.00000
    145       3.3874      0.00000
    146       3.4226      0.00000
    147       3.4833      0.00000
    148       3.5768      0.00000
    149       3.6020      0.00000
    150       3.6274      0.00000
    151       3.6507      0.00000
    152       3.7418      0.00000
    153       3.7709      0.00000
    154       3.7870      0.00000
    155       3.8071      0.00000
    156       3.8951      0.00000
    157       3.9780      0.00000
    158       4.0070      0.00000
    159       4.1770      0.00000
    160       4.2383      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2491      1.00000
      2     -21.8947      1.00000
      3     -21.8240      1.00000
      4     -21.3127      1.00000
      5     -21.2823      1.00000
      6     -20.7714      1.00000
      7     -20.7055      1.00000
      8     -20.5571      1.00000
      9     -20.0099      1.00000
     10     -20.0022      1.00000
     11     -19.6488      1.00000
     12     -19.6244      1.00000
     13     -18.9304      1.00000
     14     -18.9217      1.00000
     15     -18.5713      1.00000
     16     -18.5575      1.00000
     17     -18.3947      1.00000
     18     -17.6157      1.00000
     19     -17.5594      1.00000
     20     -17.5543      1.00000
     21     -17.5129      1.00000
     22     -17.0566      1.00000
     23     -17.0388      1.00000
     24     -16.8919      1.00000
     25     -15.9302      1.00000
     26     -15.8684      1.00000
     27     -15.5170      1.00000
     28     -15.5165      1.00000
     29     -15.2292      1.00000
     30     -14.7952      1.00000
     31     -14.7679      1.00000
     32     -14.5158      1.00000
     33     -14.4719      1.00000
     34     -14.1025      1.00000
     35     -14.0914      1.00000
     36     -13.0768      1.00000
     37     -13.0337      1.00000
     38     -12.9676      1.00000
     39     -12.9553      1.00000
     40     -12.6461      1.00000
     41     -12.6391      1.00000
     42     -12.2749      1.00000
     43     -12.2435      1.00000
     44     -11.5881      1.00000
     45     -11.5612      1.00000
     46     -11.5074      1.00000
     47     -10.9052      1.00000
     48     -10.8517      1.00000
     49     -10.6218      1.00000
     50     -10.5596      1.00000
     51     -10.4859      1.00000
     52     -10.4343      1.00000
     53     -10.4246      1.00000
     54     -10.3714      1.00000
     55     -10.2944      1.00000
     56     -10.0658      1.00000
     57      -9.8340      1.00000
     58      -9.5487      1.00000
     59      -9.4891      1.00000
     60      -9.4713      1.00000
     61      -9.3469      1.00000
     62      -9.3313      1.00000
     63      -9.3110      1.00000
     64      -9.3091      1.00000
     65      -9.2150      1.00000
     66      -9.1128      1.00000
     67      -9.0812      1.00000
     68      -9.0506      1.00000
     69      -8.8482      1.00000
     70      -8.7934      1.00000
     71      -8.7748      1.00000
     72      -8.5277      1.00000
     73      -8.4759      1.00000
     74      -8.2221      1.00000
     75      -8.1107      1.00000
     76      -8.1000      1.00000
     77      -7.8079      1.00000
     78      -7.7843      1.00000
     79      -7.7823      1.00000
     80      -7.6739      1.00000
     81      -7.6320      1.00000
     82      -7.6309      1.00000
     83      -7.4012      1.00000
     84      -7.3253      1.00000
     85      -7.2001      1.00000
     86      -6.8403      1.00000
     87      -6.8297      1.00000
     88      -6.6625      1.00000
     89      -6.5392      1.00000
     90      -6.3448      1.00000
     91      -6.3078      1.00000
     92      -6.1847      1.00000
     93      -6.1483      1.00000
     94      -5.9782      1.00000
     95      -5.5730      1.00000
     96      -5.4267      1.00000
     97      -5.2593      1.00000
     98      -5.2503      1.00000
     99      -5.1496      1.00000
    100      -4.6960      1.00000
    101      -4.6656      1.00000
    102      -4.3492      1.00000
    103      -4.3156      1.00000
    104      -3.9647      1.00000
    105      -3.8300      1.00000
    106      -3.3898      1.00000
    107      -2.2207      0.00000
    108      -1.3774      0.00000
    109      -1.2874      0.00000
    110      -1.1735      0.00000
    111      -1.0782      0.00000
    112      -0.8938      0.00000
    113      -0.7683      0.00000
    114      -0.7575      0.00000
    115      -0.2195      0.00000
    116       0.1131      0.00000
    117       0.2634      0.00000
    118       0.3458      0.00000
    119       0.7337      0.00000
    120       0.9043      0.00000
    121       0.9714      0.00000
    122       1.0935      0.00000
    123       1.2068      0.00000
    124       1.5295      0.00000
    125       1.5637      0.00000
    126       1.7137      0.00000
    127       1.8381      0.00000
    128       1.8620      0.00000
    129       1.9687      0.00000
    130       1.9985      0.00000
    131       2.1599      0.00000
    132       2.2686      0.00000
    133       2.4570      0.00000
    134       2.4664      0.00000
    135       2.5045      0.00000
    136       2.6661      0.00000
    137       2.6858      0.00000
    138       2.7321      0.00000
    139       2.7459      0.00000
    140       2.8926      0.00000
    141       3.0229      0.00000
    142       3.0852      0.00000
    143       3.1939      0.00000
    144       3.2519      0.00000
    145       3.2587      0.00000
    146       3.2696      0.00000
    147       3.3627      0.00000
    148       3.4821      0.00000
    149       3.5289      0.00000
    150       3.6974      0.00000
    151       3.7539      0.00000
    152       3.7705      0.00000
    153       3.8362      0.00000
    154       3.8798      0.00000
    155       3.9440      0.00000
    156       3.9859      0.00000
    157       4.0244      0.00000
    158       4.0487      0.00000
    159       4.0552      0.00000
    160       4.0866      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1432      1.00000
      2     -22.0478      1.00000
      3     -21.8876      1.00000
      4     -21.3357      1.00000
      5     -20.9828      1.00000
      6     -20.9443      1.00000
      7     -20.4344      1.00000
      8     -20.3917      1.00000
      9     -20.2275      1.00000
     10     -20.2061      1.00000
     11     -19.8901      1.00000
     12     -19.8224      1.00000
     13     -18.8158      1.00000
     14     -18.7446      1.00000
     15     -18.2909      1.00000
     16     -18.2373      1.00000
     17     -18.0866      1.00000
     18     -18.0667      1.00000
     19     -17.7625      1.00000
     20     -17.7200      1.00000
     21     -17.1897      1.00000
     22     -17.1707      1.00000
     23     -17.1004      1.00000
     24     -17.0646      1.00000
     25     -16.0389      1.00000
     26     -15.8240      1.00000
     27     -15.8007      1.00000
     28     -15.7652      1.00000
     29     -15.1745      1.00000
     30     -14.4920      1.00000
     31     -14.4593      1.00000
     32     -14.2186      1.00000
     33     -13.8960      1.00000
     34     -13.8910      1.00000
     35     -13.7568      1.00000
     36     -13.7365      1.00000
     37     -13.5525      1.00000
     38     -13.5038      1.00000
     39     -13.3011      1.00000
     40     -12.5653      1.00000
     41     -12.1260      1.00000
     42     -12.0668      1.00000
     43     -12.0110      1.00000
     44     -11.9524      1.00000
     45     -11.6116      1.00000
     46     -11.5888      1.00000
     47     -11.0858      1.00000
     48     -11.0527      1.00000
     49     -10.7538      1.00000
     50     -10.6648      1.00000
     51     -10.5273      1.00000
     52     -10.1494      1.00000
     53     -10.1394      1.00000
     54     -10.0969      1.00000
     55      -9.9539      1.00000
     56      -9.9484      1.00000
     57      -9.9181      1.00000
     58      -9.7384      1.00000
     59      -9.7320      1.00000
     60      -9.7017      1.00000
     61      -9.6913      1.00000
     62      -9.4295      1.00000
     63      -9.3640      1.00000
     64      -9.0866      1.00000
     65      -9.0074      1.00000
     66      -8.9755      1.00000
     67      -8.8887      1.00000
     68      -8.8121      1.00000
     69      -8.6589      1.00000
     70      -8.6357      1.00000
     71      -8.5786      1.00000
     72      -8.4791      1.00000
     73      -8.4683      1.00000
     74      -8.3988      1.00000
     75      -8.3951      1.00000
     76      -8.1847      1.00000
     77      -8.1144      1.00000
     78      -7.9780      1.00000
     79      -7.9155      1.00000
     80      -7.8476      1.00000
     81      -7.6182      1.00000
     82      -7.5307      1.00000
     83      -7.4698      1.00000
     84      -7.2564      1.00000
     85      -6.9352      1.00000
     86      -6.8584      1.00000
     87      -6.8118      1.00000
     88      -6.5750      1.00000
     89      -6.4677      1.00000
     90      -6.4211      1.00000
     91      -6.3573      1.00000
     92      -6.0529      1.00000
     93      -5.8782      1.00000
     94      -5.7535      1.00000
     95      -5.7224      1.00000
     96      -5.4776      1.00000
     97      -5.3467      1.00000
     98      -5.1808      1.00000
     99      -5.1568      1.00000
    100      -5.1551      1.00000
    101      -4.7078      1.00000
    102      -4.4409      1.00000
    103      -4.2555      1.00000
    104      -3.9962      1.00000
    105      -3.8289      1.00000
    106      -3.1564      1.00000
    107      -2.4635      0.00000
    108      -1.3797      0.00000
    109      -1.2416      0.00000
    110      -1.1463      0.00000
    111      -1.1149      0.00000
    112      -0.5644      0.00000
    113      -0.4349      0.00000
    114      -0.4301      0.00000
    115      -0.3105      0.00000
    116      -0.1904      0.00000
    117       0.0616      0.00000
    118       0.1165      0.00000
    119       0.5400      0.00000
    120       0.6837      0.00000
    121       0.8706      0.00000
    122       0.9672      0.00000
    123       1.1103      0.00000
    124       1.4947      0.00000
    125       1.6608      0.00000
    126       1.8041      0.00000
    127       1.8749      0.00000
    128       2.0932      0.00000
    129       2.1418      0.00000
    130       2.1943      0.00000
    131       2.2143      0.00000
    132       2.3399      0.00000
    133       2.3617      0.00000
    134       2.4863      0.00000
    135       2.5778      0.00000
    136       2.6692      0.00000
    137       2.8795      0.00000
    138       2.9375      0.00000
    139       2.9656      0.00000
    140       2.9988      0.00000
    141       3.0412      0.00000
    142       3.1508      0.00000
    143       3.1805      0.00000
    144       3.2470      0.00000
    145       3.2902      0.00000
    146       3.3327      0.00000
    147       3.3493      0.00000
    148       3.3798      0.00000
    149       3.4121      0.00000
    150       3.4963      0.00000
    151       3.5509      0.00000
    152       3.6324      0.00000
    153       3.6937      0.00000
    154       3.7092      0.00000
    155       3.7240      0.00000
    156       3.9205      0.00000
    157       3.9386      0.00000
    158       4.0576      0.00000
    159       4.0893      0.00000
    160       4.2023      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2489      1.00000
      2     -21.8962      1.00000
      3     -21.8225      1.00000
      4     -21.3173      1.00000
      5     -21.2784      1.00000
      6     -20.7725      1.00000
      7     -20.7034      1.00000
      8     -20.5555      1.00000
      9     -20.0238      1.00000
     10     -19.9914      1.00000
     11     -19.6512      1.00000
     12     -19.6201      1.00000
     13     -18.9444      1.00000
     14     -18.9095      1.00000
     15     -18.5849      1.00000
     16     -18.5475      1.00000
     17     -18.3930      1.00000
     18     -17.6027      1.00000
     19     -17.5715      1.00000
     20     -17.5420      1.00000
     21     -17.5092      1.00000
     22     -17.0753      1.00000
     23     -17.0283      1.00000
     24     -16.9008      1.00000
     25     -15.9462      1.00000
     26     -15.8521      1.00000
     27     -15.5341      1.00000
     28     -15.5075      1.00000
     29     -15.2100      1.00000
     30     -14.8147      1.00000
     31     -14.7622      1.00000
     32     -14.5103      1.00000
     33     -14.4685      1.00000
     34     -14.0970      1.00000
     35     -14.0939      1.00000
     36     -13.1057      1.00000
     37     -13.0305      1.00000
     38     -12.9573      1.00000
     39     -12.9502      1.00000
     40     -12.6565      1.00000
     41     -12.6281      1.00000
     42     -12.2751      1.00000
     43     -12.2479      1.00000
     44     -11.5737      1.00000
     45     -11.5542      1.00000
     46     -11.5014      1.00000
     47     -10.8789      1.00000
     48     -10.8694      1.00000
     49     -10.6826      1.00000
     50     -10.5258      1.00000
     51     -10.5212      1.00000
     52     -10.4342      1.00000
     53     -10.4169      1.00000
     54     -10.3709      1.00000
     55     -10.2888      1.00000
     56     -10.0615      1.00000
     57      -9.8326      1.00000
     58      -9.5596      1.00000
     59      -9.4853      1.00000
     60      -9.4449      1.00000
     61      -9.3562      1.00000
     62      -9.3400      1.00000
     63      -9.3085      1.00000
     64      -9.3034      1.00000
     65      -9.2068      1.00000
     66      -9.1000      1.00000
     67      -9.0689      1.00000
     68      -9.0498      1.00000
     69      -8.8512      1.00000
     70      -8.7974      1.00000
     71      -8.7787      1.00000
     72      -8.5275      1.00000
     73      -8.4974      1.00000
     74      -8.2270      1.00000
     75      -8.1300      1.00000
     76      -8.0936      1.00000
     77      -7.8073      1.00000
     78      -7.7682      1.00000
     79      -7.7403      1.00000
     80      -7.7033      1.00000
     81      -7.6361      1.00000
     82      -7.6253      1.00000
     83      -7.3883      1.00000
     84      -7.3448      1.00000
     85      -7.2196      1.00000
     86      -6.8442      1.00000
     87      -6.8211      1.00000
     88      -6.6404      1.00000
     89      -6.5300      1.00000
     90      -6.3420      1.00000
     91      -6.2735      1.00000
     92      -6.1960      1.00000
     93      -6.1324      1.00000
     94      -6.0217      1.00000
     95      -5.6373      1.00000
     96      -5.5092      1.00000
     97      -5.2982      1.00000
     98      -5.1565      1.00000
     99      -5.0408      1.00000
    100      -4.7266      1.00000
    101      -4.6861      1.00000
    102      -4.3681      1.00000
    103      -4.1851      1.00000
    104      -4.0093      1.00000
    105      -3.8284      1.00000
    106      -3.4845      1.00000
    107      -2.1647      0.00000
    108      -1.3840      0.00000
    109      -1.2361      0.00000
    110      -1.1850      0.00000
    111      -1.0145      0.00000
    112      -0.9562      0.00000
    113      -0.7978      0.00000
    114      -0.7525      0.00000
    115      -0.3666      0.00000
    116       0.2451      0.00000
    117       0.2764      0.00000
    118       0.3640      0.00000
    119       0.6996      0.00000
    120       0.8685      0.00000
    121       0.9656      0.00000
    122       1.1255      0.00000
    123       1.2353      0.00000
    124       1.4549      0.00000
    125       1.5559      0.00000
    126       1.7819      0.00000
    127       1.8505      0.00000
    128       1.8826      0.00000
    129       1.9864      0.00000
    130       2.0306      0.00000
    131       2.1974      0.00000
    132       2.2115      0.00000
    133       2.4026      0.00000
    134       2.4556      0.00000
    135       2.5488      0.00000
    136       2.6581      0.00000
    137       2.6845      0.00000
    138       2.7288      0.00000
    139       2.7702      0.00000
    140       2.8532      0.00000
    141       2.9660      0.00000
    142       3.0833      0.00000
    143       3.1894      0.00000
    144       3.2403      0.00000
    145       3.2560      0.00000
    146       3.2961      0.00000
    147       3.3365      0.00000
    148       3.4812      0.00000
    149       3.5103      0.00000
    150       3.7118      0.00000
    151       3.7230      0.00000
    152       3.7705      0.00000
    153       3.8612      0.00000
    154       3.8738      0.00000
    155       3.9007      0.00000
    156       3.9982      0.00000
    157       4.0020      0.00000
    158       4.0541      0.00000
    159       4.0630      0.00000
    160       4.0879      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3208      1.00000
      2     -21.7627      1.00000
      3     -21.5688      1.00000
      4     -21.5416      1.00000
      5     -21.2062      1.00000
      6     -21.1671      1.00000
      7     -20.9867      1.00000
      8     -20.0998      1.00000
      9     -20.0607      1.00000
     10     -19.5475      1.00000
     11     -19.5270      1.00000
     12     -19.3458      1.00000
     13     -19.0293      1.00000
     14     -18.9891      1.00000
     15     -18.9785      1.00000
     16     -18.9726      1.00000
     17     -18.2970      1.00000
     18     -18.2832      1.00000
     19     -17.9471      1.00000
     20     -17.0014      1.00000
     21     -16.9604      1.00000
     22     -16.8834      1.00000
     23     -16.8704      1.00000
     24     -16.4168      1.00000
     25     -16.3942      1.00000
     26     -15.5417      1.00000
     27     -15.5385      1.00000
     28     -15.1735      1.00000
     29     -15.1722      1.00000
     30     -15.1320      1.00000
     31     -15.0375      1.00000
     32     -15.0016      1.00000
     33     -14.6342      1.00000
     34     -14.6274      1.00000
     35     -13.6635      1.00000
     36     -13.6539      1.00000
     37     -13.1718      1.00000
     38     -12.5741      1.00000
     39     -12.5137      1.00000
     40     -12.3866      1.00000
     41     -12.3862      1.00000
     42     -12.0358      1.00000
     43     -12.0320      1.00000
     44     -11.6558      1.00000
     45     -11.6155      1.00000
     46     -11.2073      1.00000
     47     -11.1576      1.00000
     48     -10.9561      1.00000
     49     -10.9431      1.00000
     50     -10.8613      1.00000
     51     -10.8290      1.00000
     52     -10.6259      1.00000
     53     -10.1472      1.00000
     54     -10.0853      1.00000
     55     -10.0260      1.00000
     56      -9.9470      1.00000
     57      -9.6318      1.00000
     58      -9.6301      1.00000
     59      -9.6040      1.00000
     60      -9.5412      1.00000
     61      -9.5041      1.00000
     62      -9.4796      1.00000
     63      -9.2733      1.00000
     64      -9.2362      1.00000
     65      -9.2081      1.00000
     66      -9.1803      1.00000
     67      -9.0631      1.00000
     68      -9.0477      1.00000
     69      -9.0442      1.00000
     70      -8.8776      1.00000
     71      -8.8094      1.00000
     72      -8.5360      1.00000
     73      -8.5332      1.00000
     74      -8.5006      1.00000
     75      -8.0320      1.00000
     76      -7.8325      1.00000
     77      -7.8005      1.00000
     78      -7.7748      1.00000
     79      -7.7043      1.00000
     80      -7.6849      1.00000
     81      -7.4138      1.00000
     82      -7.2884      1.00000
     83      -7.2519      1.00000
     84      -7.2043      1.00000
     85      -7.0825      1.00000
     86      -7.0754      1.00000
     87      -6.9387      1.00000
     88      -6.7121      1.00000
     89      -6.6749      1.00000
     90      -6.6298      1.00000
     91      -6.5577      1.00000
     92      -6.0723      1.00000
     93      -6.0322      1.00000
     94      -6.0017      1.00000
     95      -5.9379      1.00000
     96      -5.8007      1.00000
     97      -5.1816      1.00000
     98      -4.8952      1.00000
     99      -4.7945      1.00000
    100      -4.6115      1.00000
    101      -4.5128      1.00000
    102      -4.1409      1.00000
    103      -4.0915      1.00000
    104      -3.9310      1.00000
    105      -3.9167      1.00000
    106      -3.8276      1.00000
    107      -1.7522      0.00000
    108      -1.6963      0.00000
    109      -1.4107      0.00000
    110      -1.3715      0.00000
    111      -1.2648      0.00000
    112      -1.2361      0.00000
    113      -0.6249      0.00000
    114      -0.5988      0.00000
    115      -0.1901      0.00000
    116       0.0416      0.00000
    117       0.5835      0.00000
    118       0.7409      0.00000
    119       0.8493      0.00000
    120       0.9279      0.00000
    121       1.1674      0.00000
    122       1.2109      0.00000
    123       1.2457      0.00000
    124       1.4191      0.00000
    125       1.5979      0.00000
    126       1.6384      0.00000
    127       1.7044      0.00000
    128       1.8042      0.00000
    129       1.9224      0.00000
    130       1.9397      0.00000
    131       2.1478      0.00000
    132       2.1728      0.00000
    133       2.2614      0.00000
    134       2.3020      0.00000
    135       2.5422      0.00000
    136       2.5594      0.00000
    137       2.6361      0.00000
    138       2.7608      0.00000
    139       2.8110      0.00000
    140       2.8449      0.00000
    141       2.8935      0.00000
    142       2.9407      0.00000
    143       3.0138      0.00000
    144       3.0284      0.00000
    145       3.0892      0.00000
    146       3.3113      0.00000
    147       3.3689      0.00000
    148       3.4172      0.00000
    149       3.4793      0.00000
    150       3.6079      0.00000
    151       3.6581      0.00000
    152       3.6669      0.00000
    153       3.6800      0.00000
    154       3.8919      0.00000
    155       3.9785      0.00000
    156       4.0244      0.00000
    157       4.0739      0.00000
    158       4.2384      0.00000
    159       4.2574      0.00000
    160       4.2660      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1422      1.00000
      2     -22.0492      1.00000
      3     -21.8871      1.00000
      4     -21.3366      1.00000
      5     -20.9779      1.00000
      6     -20.9483      1.00000
      7     -20.4292      1.00000
      8     -20.3971      1.00000
      9     -20.2172      1.00000
     10     -20.2150      1.00000
     11     -19.8889      1.00000
     12     -19.8250      1.00000
     13     -18.8187      1.00000
     14     -18.7479      1.00000
     15     -18.2668      1.00000
     16     -18.2527      1.00000
     17     -18.0813      1.00000
     18     -18.0744      1.00000
     19     -17.7469      1.00000
     20     -17.7311      1.00000
     21     -17.1959      1.00000
     22     -17.1723      1.00000
     23     -17.0895      1.00000
     24     -17.0690      1.00000
     25     -16.0552      1.00000
     26     -15.8095      1.00000
     27     -15.7999      1.00000
     28     -15.7785      1.00000
     29     -15.1599      1.00000
     30     -14.4865      1.00000
     31     -14.4652      1.00000
     32     -14.2048      1.00000
     33     -13.9175      1.00000
     34     -13.8876      1.00000
     35     -13.7598      1.00000
     36     -13.7397      1.00000
     37     -13.5371      1.00000
     38     -13.5112      1.00000
     39     -13.3026      1.00000
     40     -12.5778      1.00000
     41     -12.1019      1.00000
     42     -12.0779      1.00000
     43     -11.9994      1.00000
     44     -11.9519      1.00000
     45     -11.6066      1.00000
     46     -11.5988      1.00000
     47     -11.0854      1.00000
     48     -11.0617      1.00000
     49     -10.7328      1.00000
     50     -10.6655      1.00000
     51     -10.5600      1.00000
     52     -10.1407      1.00000
     53     -10.1362      1.00000
     54     -10.1016      1.00000
     55      -9.9669      1.00000
     56      -9.9262      1.00000
     57      -9.9224      1.00000
     58      -9.7521      1.00000
     59      -9.7300      1.00000
     60      -9.6982      1.00000
     61      -9.6953      1.00000
     62      -9.4014      1.00000
     63      -9.3900      1.00000
     64      -9.0693      1.00000
     65      -8.9834      1.00000
     66      -8.9822      1.00000
     67      -8.9065      1.00000
     68      -8.8129      1.00000
     69      -8.6504      1.00000
     70      -8.6345      1.00000
     71      -8.5482      1.00000
     72      -8.5026      1.00000
     73      -8.4835      1.00000
     74      -8.3949      1.00000
     75      -8.3835      1.00000
     76      -8.2106      1.00000
     77      -8.1024      1.00000
     78      -8.0077      1.00000
     79      -7.9024      1.00000
     80      -7.8440      1.00000
     81      -7.6222      1.00000
     82      -7.5334      1.00000
     83      -7.4578      1.00000
     84      -7.2532      1.00000
     85      -6.9439      1.00000
     86      -6.8696      1.00000
     87      -6.8107      1.00000
     88      -6.4787      1.00000
     89      -6.4691      1.00000
     90      -6.4101      1.00000
     91      -6.3606      1.00000
     92      -6.1910      1.00000
     93      -5.8587      1.00000
     94      -5.7383      1.00000
     95      -5.7117      1.00000
     96      -5.5243      1.00000
     97      -5.3299      1.00000
     98      -5.1728      1.00000
     99      -5.1681      1.00000
    100      -5.1346      1.00000
    101      -4.6966      1.00000
    102      -4.3486      1.00000
    103      -4.2801      1.00000
    104      -4.0295      1.00000
    105      -3.8299      1.00000
    106      -3.2336      1.00000
    107      -2.4054      0.00000
    108      -1.3461      0.00000
    109      -1.2442      0.00000
    110      -1.1534      0.00000
    111      -1.1087      0.00000
    112      -0.5836      0.00000
    113      -0.5217      0.00000
    114      -0.4342      0.00000
    115      -0.2750      0.00000
    116      -0.0713      0.00000
    117      -0.0114      0.00000
    118       0.0596      0.00000
    119       0.5832      0.00000
    120       0.7103      0.00000
    121       0.8092      0.00000
    122       0.9430      0.00000
    123       1.1822      0.00000
    124       1.5095      0.00000
    125       1.6187      0.00000
    126       1.8601      0.00000
    127       2.0044      0.00000
    128       2.0501      0.00000
    129       2.1130      0.00000
    130       2.1511      0.00000
    131       2.2648      0.00000
    132       2.2853      0.00000
    133       2.3488      0.00000
    134       2.4581      0.00000
    135       2.6098      0.00000
    136       2.7010      0.00000
    137       2.8190      0.00000
    138       2.9148      0.00000
    139       2.9425      0.00000
    140       3.0175      0.00000
    141       3.0497      0.00000
    142       3.1571      0.00000
    143       3.1632      0.00000
    144       3.2279      0.00000
    145       3.2992      0.00000
    146       3.3100      0.00000
    147       3.3531      0.00000
    148       3.3731      0.00000
    149       3.4167      0.00000
    150       3.4458      0.00000
    151       3.5627      0.00000
    152       3.6116      0.00000
    153       3.7010      0.00000
    154       3.7235      0.00000
    155       3.8474      0.00000
    156       3.9069      0.00000
    157       3.9316      0.00000
    158       3.9616      0.00000
    159       4.1484      0.00000
    160       4.1826      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2149      1.00000
      2     -22.0096      1.00000
      3     -21.6476      1.00000
      4     -21.6162      1.00000
      5     -20.9112      1.00000
      6     -20.8703      1.00000
      7     -20.5405      1.00000
      8     -20.5078      1.00000
      9     -20.5009      1.00000
     10     -19.9635      1.00000
     11     -19.4423      1.00000
     12     -19.4199      1.00000
     13     -19.2412      1.00000
     14     -19.2339      1.00000
     15     -18.3773      1.00000
     16     -18.3421      1.00000
     17     -17.8600      1.00000
     18     -17.8437      1.00000
     19     -17.6925      1.00000
     20     -17.6564      1.00000
     21     -17.3734      1.00000
     22     -17.3589      1.00000
     23     -17.2682      1.00000
     24     -16.4144      1.00000
     25     -16.3911      1.00000
     26     -15.9059      1.00000
     27     -15.3446      1.00000
     28     -15.3398      1.00000
     29     -15.0321      1.00000
     30     -15.0225      1.00000
     31     -14.7770      1.00000
     32     -14.7751      1.00000
     33     -14.2389      1.00000
     34     -14.1877      1.00000
     35     -13.3890      1.00000
     36     -13.3340      1.00000
     37     -13.1119      1.00000
     38     -13.1041      1.00000
     39     -12.9192      1.00000
     40     -12.9134      1.00000
     41     -12.5461      1.00000
     42     -12.5387      1.00000
     43     -12.1345      1.00000
     44     -11.5147      1.00000
     45     -11.4703      1.00000
     46     -11.2457      1.00000
     47     -11.2141      1.00000
     48     -11.0873      1.00000
     49     -10.7065      1.00000
     50     -10.5961      1.00000
     51     -10.5103      1.00000
     52     -10.2525      1.00000
     53     -10.2486      1.00000
     54     -10.1226      1.00000
     55     -10.0547      1.00000
     56     -10.0400      1.00000
     57      -9.7854      1.00000
     58      -9.6882      1.00000
     59      -9.6747      1.00000
     60      -9.6385      1.00000
     61      -9.6289      1.00000
     62      -9.5867      1.00000
     63      -9.2965      1.00000
     64      -9.2846      1.00000
     65      -9.2539      1.00000
     66      -9.0654      1.00000
     67      -8.8956      1.00000
     68      -8.8850      1.00000
     69      -8.7193      1.00000
     70      -8.5818      1.00000
     71      -8.5269      1.00000
     72      -8.3516      1.00000
     73      -8.3056      1.00000
     74      -8.2441      1.00000
     75      -8.2393      1.00000
     76      -8.1949      1.00000
     77      -8.1825      1.00000
     78      -8.1703      1.00000
     79      -8.1076      1.00000
     80      -7.6905      1.00000
     81      -7.4186      1.00000
     82      -7.3447      1.00000
     83      -7.2589      1.00000
     84      -7.1697      1.00000
     85      -7.1115      1.00000
     86      -7.0047      1.00000
     87      -6.9047      1.00000
     88      -6.8480      1.00000
     89      -6.5425      1.00000
     90      -6.4995      1.00000
     91      -6.2131      1.00000
     92      -6.2022      1.00000
     93      -5.8954      1.00000
     94      -5.6744      1.00000
     95      -5.6084      1.00000
     96      -5.5811      1.00000
     97      -5.2538      1.00000
     98      -5.2321      1.00000
     99      -5.1654      1.00000
    100      -5.1351      1.00000
    101      -4.6000      1.00000
    102      -4.2500      1.00000
    103      -4.0460      1.00000
    104      -3.8853      1.00000
    105      -3.8419      1.00000
    106      -3.8011      1.00000
    107      -1.8080      0.00000
    108      -1.7810      0.00000
    109      -1.2262      0.00000
    110      -1.1759      0.00000
    111      -0.9741      0.00000
    112      -0.7348      0.00000
    113      -0.6503      0.00000
    114      -0.5942      0.00000
    115      -0.5499      0.00000
    116      -0.1536      0.00000
    117       0.1760      0.00000
    118       0.2878      0.00000
    119       0.7050      0.00000
    120       0.9483      0.00000
    121       1.1690      0.00000
    122       1.2775      0.00000
    123       1.3447      0.00000
    124       1.5113      0.00000
    125       1.6077      0.00000
    126       1.6278      0.00000
    127       1.6916      0.00000
    128       1.7729      0.00000
    129       1.8623      0.00000
    130       2.0776      0.00000
    131       2.1645      0.00000
    132       2.3186      0.00000
    133       2.3933      0.00000
    134       2.4235      0.00000
    135       2.5549      0.00000
    136       2.6243      0.00000
    137       2.6881      0.00000
    138       2.7451      0.00000
    139       2.8142      0.00000
    140       2.9085      0.00000
    141       3.0540      0.00000
    142       3.0612      0.00000
    143       3.1828      0.00000
    144       3.2816      0.00000
    145       3.3793      0.00000
    146       3.4140      0.00000
    147       3.4596      0.00000
    148       3.5487      0.00000
    149       3.5768      0.00000
    150       3.6347      0.00000
    151       3.6642      0.00000
    152       3.7014      0.00000
    153       3.7858      0.00000
    154       3.7984      0.00000
    155       3.8238      0.00000
    156       3.8933      0.00000
    157       3.9081      0.00000
    158       3.9766      0.00000
    159       4.1897      0.00000
    160       4.2313      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3575      1.00000
      2     -21.5379      1.00000
      3     -21.4081      1.00000
      4     -21.4070      1.00000
      5     -21.3758      1.00000
      6     -21.3666      1.00000
      7     -21.3593      1.00000
      8     -19.6474      1.00000
      9     -19.5730      1.00000
     10     -19.5659      1.00000
     11     -19.5592      1.00000
     12     -19.5413      1.00000
     13     -19.5385      1.00000
     14     -18.7291      1.00000
     15     -18.6806      1.00000
     16     -18.6729      1.00000
     17     -18.6594      1.00000
     18     -18.6441      1.00000
     19     -18.6424      1.00000
     20     -16.5866      1.00000
     21     -16.5272      1.00000
     22     -16.5248      1.00000
     23     -16.5120      1.00000
     24     -16.4875      1.00000
     25     -16.4860      1.00000
     26     -15.5599      1.00000
     27     -15.5275      1.00000
     28     -15.5266      1.00000
     29     -15.5003      1.00000
     30     -15.4953      1.00000
     31     -15.4895      1.00000
     32     -14.2071      1.00000
     33     -14.1809      1.00000
     34     -14.1685      1.00000
     35     -14.1658      1.00000
     36     -14.1606      1.00000
     37     -14.1495      1.00000
     38     -11.8847      1.00000
     39     -11.8092      1.00000
     40     -11.7928      1.00000
     41     -11.7926      1.00000
     42     -11.7891      1.00000
     43     -11.7832      1.00000
     44     -11.7055      1.00000
     45     -11.6990      1.00000
     46     -11.6735      1.00000
     47     -11.6587      1.00000
     48     -11.6583      1.00000
     49     -11.6515      1.00000
     50     -10.6745      1.00000
     51     -10.3298      1.00000
     52     -10.3218      1.00000
     53     -10.3064      1.00000
     54     -10.3051      1.00000
     55     -10.2919      1.00000
     56     -10.2788      1.00000
     57      -9.9280      1.00000
     58      -9.3736      1.00000
     59      -9.3600      1.00000
     60      -9.3008      1.00000
     61      -9.2926      1.00000
     62      -9.2858      1.00000
     63      -9.0934      1.00000
     64      -9.0551      1.00000
     65      -9.0502      1.00000
     66      -9.0271      1.00000
     67      -9.0080      1.00000
     68      -9.0023      1.00000
     69      -9.0016      1.00000
     70      -8.9957      1.00000
     71      -8.9928      1.00000
     72      -8.9724      1.00000
     73      -8.9649      1.00000
     74      -8.9553      1.00000
     75      -8.4970      1.00000
     76      -7.5148      1.00000
     77      -7.4113      1.00000
     78      -7.4108      1.00000
     79      -7.4008      1.00000
     80      -7.3839      1.00000
     81      -7.3652      1.00000
     82      -7.3413      1.00000
     83      -7.3104      1.00000
     84      -7.2696      1.00000
     85      -7.2071      1.00000
     86      -7.1808      1.00000
     87      -7.1806      1.00000
     88      -7.0752      1.00000
     89      -6.5093      1.00000
     90      -6.4619      1.00000
     91      -6.3557      1.00000
     92      -6.2940      1.00000
     93      -6.2883      1.00000
     94      -6.2871      1.00000
     95      -5.8978      1.00000
     96      -5.8853      1.00000
     97      -5.0475      1.00000
     98      -4.9375      1.00000
     99      -4.5398      1.00000
    100      -4.3415      1.00000
    101      -4.3185      1.00000
    102      -4.3177      1.00000
    103      -4.1154      1.00000
    104      -3.9128      1.00000
    105      -3.9013      1.00000
    106      -3.8337      1.00000
    107      -1.6825      0.00000
    108      -1.6685      0.00000
    109      -1.5367      0.00000
    110      -1.5353      0.00000
    111      -1.5231      0.00000
    112      -1.5092      0.00000
    113      -0.5869      0.00000
    114       0.1336      0.00000
    115       0.2065      0.00000
    116       0.3244      0.00000
    117       0.3263      0.00000
    118       0.3336      0.00000
    119       0.4951      0.00000
    120       0.5954      0.00000
    121       1.2585      0.00000
    122       1.2722      0.00000
    123       1.5268      0.00000
    124       1.7931      0.00000
    125       1.8035      0.00000
    126       1.8066      0.00000
    127       1.8116      0.00000
    128       1.9455      0.00000
    129       1.9795      0.00000
    130       2.0315      0.00000
    131       2.0456      0.00000
    132       2.0508      0.00000
    133       2.0549      0.00000
    134       2.0593      0.00000
    135       2.3060      0.00000
    136       2.3244      0.00000
    137       2.6131      0.00000
    138       2.6198      0.00000
    139       2.6493      0.00000
    140       2.7257      0.00000
    141       2.8616      0.00000
    142       3.0239      0.00000
    143       3.0495      0.00000
    144       3.0880      0.00000
    145       3.0949      0.00000
    146       3.0998      0.00000
    147       3.1019      0.00000
    148       3.2334      0.00000
    149       3.4479      0.00000
    150       3.5385      0.00000
    151       3.7874      0.00000
    152       3.9456      0.00000
    153       3.9527      0.00000
    154       3.9579      0.00000
    155       3.9649      0.00000
    156       3.9968      0.00000
    157       4.1794      0.00000
    158       4.2646      0.00000
    159       4.2872      0.00000
    160       4.2877      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3209      1.00000
      2     -21.7623      1.00000
      3     -21.5716      1.00000
      4     -21.5388      1.00000
      5     -21.2087      1.00000
      6     -21.1638      1.00000
      7     -20.9881      1.00000
      8     -20.1027      1.00000
      9     -20.0585      1.00000
     10     -19.5472      1.00000
     11     -19.5225      1.00000
     12     -19.3500      1.00000
     13     -19.0256      1.00000
     14     -18.9905      1.00000
     15     -18.9822      1.00000
     16     -18.9700      1.00000
     17     -18.2982      1.00000
     18     -18.2789      1.00000
     19     -17.9529      1.00000
     20     -17.0105      1.00000
     21     -16.9604      1.00000
     22     -16.8794      1.00000
     23     -16.8694      1.00000
     24     -16.4056      1.00000
     25     -16.3907      1.00000
     26     -15.5529      1.00000
     27     -15.5367      1.00000
     28     -15.1985      1.00000
     29     -15.1699      1.00000
     30     -15.1156      1.00000
     31     -15.0286      1.00000
     32     -15.0035      1.00000
     33     -14.6370      1.00000
     34     -14.6252      1.00000
     35     -13.6681      1.00000
     36     -13.6528      1.00000
     37     -13.1704      1.00000
     38     -12.5519      1.00000
     39     -12.5182      1.00000
     40     -12.3919      1.00000
     41     -12.3789      1.00000
     42     -12.0580      1.00000
     43     -12.0351      1.00000
     44     -11.6601      1.00000
     45     -11.6179      1.00000
     46     -11.1813      1.00000
     47     -11.1574      1.00000
     48     -10.9658      1.00000
     49     -10.9416      1.00000
     50     -10.8744      1.00000
     51     -10.8380      1.00000
     52     -10.6035      1.00000
     53     -10.0942      1.00000
     54     -10.0895      1.00000
     55     -10.0470      1.00000
     56      -9.9711      1.00000
     57      -9.6550      1.00000
     58      -9.6300      1.00000
     59      -9.5928      1.00000
     60      -9.5301      1.00000
     61      -9.5115      1.00000
     62      -9.4799      1.00000
     63      -9.2649      1.00000
     64      -9.2419      1.00000
     65      -9.2217      1.00000
     66      -9.1670      1.00000
     67      -9.0691      1.00000
     68      -9.0477      1.00000
     69      -9.0415      1.00000
     70      -8.8833      1.00000
     71      -8.8070      1.00000
     72      -8.5777      1.00000
     73      -8.5232      1.00000
     74      -8.4597      1.00000
     75      -8.0358      1.00000
     76      -7.8119      1.00000
     77      -7.8076      1.00000
     78      -7.7932      1.00000
     79      -7.7011      1.00000
     80      -7.6912      1.00000
     81      -7.3639      1.00000
     82      -7.2741      1.00000
     83      -7.2652      1.00000
     84      -7.2162      1.00000
     85      -7.1734      1.00000
     86      -7.0093      1.00000
     87      -6.9480      1.00000
     88      -6.7475      1.00000
     89      -6.6729      1.00000
     90      -6.5946      1.00000
     91      -6.5599      1.00000
     92      -6.0511      1.00000
     93      -6.0477      1.00000
     94      -6.0223      1.00000
     95      -5.9594      1.00000
     96      -5.7371      1.00000
     97      -5.1560      1.00000
     98      -4.9902      1.00000
     99      -4.7193      1.00000
    100      -4.6116      1.00000
    101      -4.4403      1.00000
    102      -4.3741      1.00000
    103      -4.1224      1.00000
    104      -3.8684      1.00000
    105      -3.8336      1.00000
    106      -3.7907      1.00000
    107      -1.7856      0.00000
    108      -1.7391      0.00000
    109      -1.3952      0.00000
    110      -1.3464      0.00000
    111      -1.2647      0.00000
    112      -1.2260      0.00000
    113      -0.7459      0.00000
    114      -0.3797      0.00000
    115      -0.2205      0.00000
    116      -0.0192      0.00000
    117       0.5897      0.00000
    118       0.7365      0.00000
    119       0.7641      0.00000
    120       1.0495      0.00000
    121       1.1414      0.00000
    122       1.2499      0.00000
    123       1.2706      0.00000
    124       1.4133      0.00000
    125       1.4792      0.00000
    126       1.5854      0.00000
    127       1.7559      0.00000
    128       1.8402      0.00000
    129       1.8963      0.00000
    130       1.9585      0.00000
    131       2.1051      0.00000
    132       2.2351      0.00000
    133       2.2493      0.00000
    134       2.2964      0.00000
    135       2.4894      0.00000
    136       2.6143      0.00000
    137       2.6367      0.00000
    138       2.7675      0.00000
    139       2.7999      0.00000
    140       2.8561      0.00000
    141       2.8661      0.00000
    142       2.8923      0.00000
    143       2.9559      0.00000
    144       3.0832      0.00000
    145       3.2814      0.00000
    146       3.3060      0.00000
    147       3.3744      0.00000
    148       3.4059      0.00000
    149       3.4676      0.00000
    150       3.5891      0.00000
    151       3.6368      0.00000
    152       3.6709      0.00000
    153       3.7091      0.00000
    154       3.9072      0.00000
    155       3.9410      0.00000
    156       3.9821      0.00000
    157       4.0832      0.00000
    158       4.2040      0.00000
    159       4.2466      0.00000
    160       4.2971      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2153      1.00000
      2     -22.0089      1.00000
      3     -21.6503      1.00000
      4     -21.6132      1.00000
      5     -20.9140      1.00000
      6     -20.8676      1.00000
      7     -20.5467      1.00000
      8     -20.5073      1.00000
      9     -20.4968      1.00000
     10     -19.9645      1.00000
     11     -19.4434      1.00000
     12     -19.4163      1.00000
     13     -19.2425      1.00000
     14     -19.2281      1.00000
     15     -18.3851      1.00000
     16     -18.3408      1.00000
     17     -17.8609      1.00000
     18     -17.8398      1.00000
     19     -17.6988      1.00000
     20     -17.6562      1.00000
     21     -17.3729      1.00000
     22     -17.3569      1.00000
     23     -17.2752      1.00000
     24     -16.4021      1.00000
     25     -16.3872      1.00000
     26     -15.8974      1.00000
     27     -15.3535      1.00000
     28     -15.3380      1.00000
     29     -15.0357      1.00000
     30     -15.0217      1.00000
     31     -14.8003      1.00000
     32     -14.7757      1.00000
     33     -14.2229      1.00000
     34     -14.1905      1.00000
     35     -13.3719      1.00000
     36     -13.3378      1.00000
     37     -13.1207      1.00000
     38     -13.1032      1.00000
     39     -12.9173      1.00000
     40     -12.9038      1.00000
     41     -12.5575      1.00000
     42     -12.5396      1.00000
     43     -12.1339      1.00000
     44     -11.5228      1.00000
     45     -11.4748      1.00000
     46     -11.2545      1.00000
     47     -11.2207      1.00000
     48     -11.0802      1.00000
     49     -10.6598      1.00000
     50     -10.5895      1.00000
     51     -10.5245      1.00000
     52     -10.2586      1.00000
     53     -10.2500      1.00000
     54     -10.1235      1.00000
     55     -10.0493      1.00000
     56     -10.0420      1.00000
     57      -9.7704      1.00000
     58      -9.7061      1.00000
     59      -9.6809      1.00000
     60      -9.6312      1.00000
     61      -9.6271      1.00000
     62      -9.5887      1.00000
     63      -9.2953      1.00000
     64      -9.2861      1.00000
     65      -9.2540      1.00000
     66      -9.0881      1.00000
     67      -8.8979      1.00000
     68      -8.8842      1.00000
     69      -8.7255      1.00000
     70      -8.5896      1.00000
     71      -8.5149      1.00000
     72      -8.3315      1.00000
     73      -8.3034      1.00000
     74      -8.2652      1.00000
     75      -8.2340      1.00000
     76      -8.1955      1.00000
     77      -8.1869      1.00000
     78      -8.1715      1.00000
     79      -8.1009      1.00000
     80      -7.6891      1.00000
     81      -7.3567      1.00000
     82      -7.3111      1.00000
     83      -7.2649      1.00000
     84      -7.1879      1.00000
     85      -7.1258      1.00000
     86      -7.0775      1.00000
     87      -6.9076      1.00000
     88      -6.8830      1.00000
     89      -6.5501      1.00000
     90      -6.4931      1.00000
     91      -6.2105      1.00000
     92      -6.0705      1.00000
     93      -5.9426      1.00000
     94      -5.7156      1.00000
     95      -5.6337      1.00000
     96      -5.4531      1.00000
     97      -5.3055      1.00000
     98      -5.2348      1.00000
     99      -5.1528      1.00000
    100      -5.1520      1.00000
    101      -4.5224      1.00000
    102      -4.4707      1.00000
    103      -4.1433      1.00000
    104      -3.8368      1.00000
    105      -3.7574      1.00000
    106      -3.6800      1.00000
    107      -1.8713      0.00000
    108      -1.8245      0.00000
    109      -1.2781      0.00000
    110      -1.0365      0.00000
    111      -1.0119      0.00000
    112      -0.7130      0.00000
    113      -0.6401      0.00000
    114      -0.5885      0.00000
    115      -0.5462      0.00000
    116      -0.2036      0.00000
    117       0.2521      0.00000
    118       0.2786      0.00000
    119       0.7597      0.00000
    120       0.9445      0.00000
    121       1.1324      0.00000
    122       1.2264      0.00000
    123       1.3196      0.00000
    124       1.4111      0.00000
    125       1.6009      0.00000
    126       1.6334      0.00000
    127       1.7013      0.00000
    128       1.8223      0.00000
    129       1.9193      0.00000
    130       2.0128      0.00000
    131       2.1082      0.00000
    132       2.3266      0.00000
    133       2.3960      0.00000
    134       2.4323      0.00000
    135       2.5408      0.00000
    136       2.6345      0.00000
    137       2.7547      0.00000
    138       2.8199      0.00000
    139       2.8326      0.00000
    140       2.8880      0.00000
    141       3.0453      0.00000
    142       3.0905      0.00000
    143       3.1865      0.00000
    144       3.2391      0.00000
    145       3.3874      0.00000
    146       3.4226      0.00000
    147       3.4833      0.00000
    148       3.5768      0.00000
    149       3.6020      0.00000
    150       3.6274      0.00000
    151       3.6507      0.00000
    152       3.7418      0.00000
    153       3.7709      0.00000
    154       3.7870      0.00000
    155       3.8071      0.00000
    156       3.8951      0.00000
    157       3.9780      0.00000
    158       4.0070      0.00000
    159       4.1770      0.00000
    160       4.2383      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2491      1.00000
      2     -21.8947      1.00000
      3     -21.8240      1.00000
      4     -21.3127      1.00000
      5     -21.2823      1.00000
      6     -20.7714      1.00000
      7     -20.7055      1.00000
      8     -20.5571      1.00000
      9     -20.0099      1.00000
     10     -20.0022      1.00000
     11     -19.6488      1.00000
     12     -19.6244      1.00000
     13     -18.9304      1.00000
     14     -18.9217      1.00000
     15     -18.5713      1.00000
     16     -18.5575      1.00000
     17     -18.3947      1.00000
     18     -17.6157      1.00000
     19     -17.5594      1.00000
     20     -17.5543      1.00000
     21     -17.5129      1.00000
     22     -17.0566      1.00000
     23     -17.0388      1.00000
     24     -16.8919      1.00000
     25     -15.9302      1.00000
     26     -15.8684      1.00000
     27     -15.5170      1.00000
     28     -15.5165      1.00000
     29     -15.2292      1.00000
     30     -14.7952      1.00000
     31     -14.7679      1.00000
     32     -14.5158      1.00000
     33     -14.4719      1.00000
     34     -14.1025      1.00000
     35     -14.0914      1.00000
     36     -13.0768      1.00000
     37     -13.0337      1.00000
     38     -12.9676      1.00000
     39     -12.9553      1.00000
     40     -12.6461      1.00000
     41     -12.6391      1.00000
     42     -12.2749      1.00000
     43     -12.2435      1.00000
     44     -11.5881      1.00000
     45     -11.5612      1.00000
     46     -11.5074      1.00000
     47     -10.9052      1.00000
     48     -10.8517      1.00000
     49     -10.6218      1.00000
     50     -10.5596      1.00000
     51     -10.4859      1.00000
     52     -10.4343      1.00000
     53     -10.4246      1.00000
     54     -10.3714      1.00000
     55     -10.2944      1.00000
     56     -10.0658      1.00000
     57      -9.8340      1.00000
     58      -9.5487      1.00000
     59      -9.4891      1.00000
     60      -9.4713      1.00000
     61      -9.3469      1.00000
     62      -9.3313      1.00000
     63      -9.3110      1.00000
     64      -9.3091      1.00000
     65      -9.2150      1.00000
     66      -9.1128      1.00000
     67      -9.0812      1.00000
     68      -9.0506      1.00000
     69      -8.8482      1.00000
     70      -8.7934      1.00000
     71      -8.7748      1.00000
     72      -8.5277      1.00000
     73      -8.4759      1.00000
     74      -8.2221      1.00000
     75      -8.1107      1.00000
     76      -8.1000      1.00000
     77      -7.8079      1.00000
     78      -7.7843      1.00000
     79      -7.7823      1.00000
     80      -7.6739      1.00000
     81      -7.6320      1.00000
     82      -7.6309      1.00000
     83      -7.4012      1.00000
     84      -7.3253      1.00000
     85      -7.2001      1.00000
     86      -6.8403      1.00000
     87      -6.8297      1.00000
     88      -6.6625      1.00000
     89      -6.5392      1.00000
     90      -6.3448      1.00000
     91      -6.3078      1.00000
     92      -6.1847      1.00000
     93      -6.1483      1.00000
     94      -5.9782      1.00000
     95      -5.5730      1.00000
     96      -5.4267      1.00000
     97      -5.2593      1.00000
     98      -5.2503      1.00000
     99      -5.1496      1.00000
    100      -4.6960      1.00000
    101      -4.6656      1.00000
    102      -4.3492      1.00000
    103      -4.3156      1.00000
    104      -3.9647      1.00000
    105      -3.8300      1.00000
    106      -3.3898      1.00000
    107      -2.2207      0.00000
    108      -1.3774      0.00000
    109      -1.2874      0.00000
    110      -1.1735      0.00000
    111      -1.0782      0.00000
    112      -0.8938      0.00000
    113      -0.7683      0.00000
    114      -0.7575      0.00000
    115      -0.2195      0.00000
    116       0.1131      0.00000
    117       0.2634      0.00000
    118       0.3458      0.00000
    119       0.7337      0.00000
    120       0.9043      0.00000
    121       0.9714      0.00000
    122       1.0935      0.00000
    123       1.2068      0.00000
    124       1.5295      0.00000
    125       1.5637      0.00000
    126       1.7137      0.00000
    127       1.8381      0.00000
    128       1.8620      0.00000
    129       1.9687      0.00000
    130       1.9985      0.00000
    131       2.1599      0.00000
    132       2.2686      0.00000
    133       2.4570      0.00000
    134       2.4664      0.00000
    135       2.5045      0.00000
    136       2.6661      0.00000
    137       2.6858      0.00000
    138       2.7321      0.00000
    139       2.7459      0.00000
    140       2.8926      0.00000
    141       3.0229      0.00000
    142       3.0852      0.00000
    143       3.1940      0.00000
    144       3.2519      0.00000
    145       3.2587      0.00000
    146       3.2696      0.00000
    147       3.3627      0.00000
    148       3.4821      0.00000
    149       3.5289      0.00000
    150       3.6974      0.00000
    151       3.7539      0.00000
    152       3.7705      0.00000
    153       3.8362      0.00000
    154       3.8798      0.00000
    155       3.9440      0.00000
    156       3.9859      0.00000
    157       4.0244      0.00000
    158       4.0487      0.00000
    159       4.0552      0.00000
    160       4.0866      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1432      1.00000
      2     -22.0478      1.00000
      3     -21.8876      1.00000
      4     -21.3357      1.00000
      5     -20.9828      1.00000
      6     -20.9443      1.00000
      7     -20.4344      1.00000
      8     -20.3917      1.00000
      9     -20.2275      1.00000
     10     -20.2061      1.00000
     11     -19.8901      1.00000
     12     -19.8224      1.00000
     13     -18.8158      1.00000
     14     -18.7446      1.00000
     15     -18.2909      1.00000
     16     -18.2373      1.00000
     17     -18.0866      1.00000
     18     -18.0667      1.00000
     19     -17.7625      1.00000
     20     -17.7200      1.00000
     21     -17.1897      1.00000
     22     -17.1707      1.00000
     23     -17.1004      1.00000
     24     -17.0646      1.00000
     25     -16.0389      1.00000
     26     -15.8240      1.00000
     27     -15.8007      1.00000
     28     -15.7652      1.00000
     29     -15.1745      1.00000
     30     -14.4920      1.00000
     31     -14.4593      1.00000
     32     -14.2186      1.00000
     33     -13.8960      1.00000
     34     -13.8910      1.00000
     35     -13.7568      1.00000
     36     -13.7365      1.00000
     37     -13.5525      1.00000
     38     -13.5038      1.00000
     39     -13.3011      1.00000
     40     -12.5653      1.00000
     41     -12.1260      1.00000
     42     -12.0668      1.00000
     43     -12.0110      1.00000
     44     -11.9524      1.00000
     45     -11.6116      1.00000
     46     -11.5888      1.00000
     47     -11.0858      1.00000
     48     -11.0527      1.00000
     49     -10.7538      1.00000
     50     -10.6648      1.00000
     51     -10.5273      1.00000
     52     -10.1494      1.00000
     53     -10.1394      1.00000
     54     -10.0969      1.00000
     55      -9.9539      1.00000
     56      -9.9484      1.00000
     57      -9.9181      1.00000
     58      -9.7384      1.00000
     59      -9.7320      1.00000
     60      -9.7017      1.00000
     61      -9.6913      1.00000
     62      -9.4295      1.00000
     63      -9.3640      1.00000
     64      -9.0866      1.00000
     65      -9.0074      1.00000
     66      -8.9755      1.00000
     67      -8.8887      1.00000
     68      -8.8121      1.00000
     69      -8.6589      1.00000
     70      -8.6357      1.00000
     71      -8.5786      1.00000
     72      -8.4791      1.00000
     73      -8.4683      1.00000
     74      -8.3988      1.00000
     75      -8.3951      1.00000
     76      -8.1847      1.00000
     77      -8.1144      1.00000
     78      -7.9780      1.00000
     79      -7.9155      1.00000
     80      -7.8476      1.00000
     81      -7.6182      1.00000
     82      -7.5307      1.00000
     83      -7.4698      1.00000
     84      -7.2564      1.00000
     85      -6.9352      1.00000
     86      -6.8584      1.00000
     87      -6.8118      1.00000
     88      -6.5750      1.00000
     89      -6.4677      1.00000
     90      -6.4211      1.00000
     91      -6.3573      1.00000
     92      -6.0529      1.00000
     93      -5.8782      1.00000
     94      -5.7535      1.00000
     95      -5.7224      1.00000
     96      -5.4776      1.00000
     97      -5.3467      1.00000
     98      -5.1808      1.00000
     99      -5.1568      1.00000
    100      -5.1551      1.00000
    101      -4.7078      1.00000
    102      -4.4409      1.00000
    103      -4.2555      1.00000
    104      -3.9962      1.00000
    105      -3.8289      1.00000
    106      -3.1564      1.00000
    107      -2.4635      0.00000
    108      -1.3797      0.00000
    109      -1.2416      0.00000
    110      -1.1463      0.00000
    111      -1.1149      0.00000
    112      -0.5644      0.00000
    113      -0.4349      0.00000
    114      -0.4301      0.00000
    115      -0.3105      0.00000
    116      -0.1904      0.00000
    117       0.0616      0.00000
    118       0.1165      0.00000
    119       0.5400      0.00000
    120       0.6837      0.00000
    121       0.8706      0.00000
    122       0.9672      0.00000
    123       1.1103      0.00000
    124       1.4947      0.00000
    125       1.6608      0.00000
    126       1.8041      0.00000
    127       1.8749      0.00000
    128       2.0932      0.00000
    129       2.1418      0.00000
    130       2.1943      0.00000
    131       2.2143      0.00000
    132       2.3399      0.00000
    133       2.3617      0.00000
    134       2.4863      0.00000
    135       2.5778      0.00000
    136       2.6692      0.00000
    137       2.8795      0.00000
    138       2.9375      0.00000
    139       2.9656      0.00000
    140       2.9988      0.00000
    141       3.0412      0.00000
    142       3.1508      0.00000
    143       3.1805      0.00000
    144       3.2470      0.00000
    145       3.2902      0.00000
    146       3.3327      0.00000
    147       3.3493      0.00000
    148       3.3798      0.00000
    149       3.4121      0.00000
    150       3.4963      0.00000
    151       3.5509      0.00000
    152       3.6324      0.00000
    153       3.6937      0.00000
    154       3.7092      0.00000
    155       3.7240      0.00000
    156       3.9205      0.00000
    157       3.9386      0.00000
    158       4.0576      0.00000
    159       4.0893      0.00000
    160       4.2023      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2489      1.00000
      2     -21.8962      1.00000
      3     -21.8225      1.00000
      4     -21.3173      1.00000
      5     -21.2784      1.00000
      6     -20.7725      1.00000
      7     -20.7034      1.00000
      8     -20.5555      1.00000
      9     -20.0238      1.00000
     10     -19.9914      1.00000
     11     -19.6512      1.00000
     12     -19.6201      1.00000
     13     -18.9444      1.00000
     14     -18.9095      1.00000
     15     -18.5849      1.00000
     16     -18.5475      1.00000
     17     -18.3930      1.00000
     18     -17.6027      1.00000
     19     -17.5715      1.00000
     20     -17.5420      1.00000
     21     -17.5092      1.00000
     22     -17.0753      1.00000
     23     -17.0283      1.00000
     24     -16.9008      1.00000
     25     -15.9462      1.00000
     26     -15.8521      1.00000
     27     -15.5341      1.00000
     28     -15.5075      1.00000
     29     -15.2100      1.00000
     30     -14.8147      1.00000
     31     -14.7622      1.00000
     32     -14.5103      1.00000
     33     -14.4685      1.00000
     34     -14.0970      1.00000
     35     -14.0939      1.00000
     36     -13.1057      1.00000
     37     -13.0305      1.00000
     38     -12.9573      1.00000
     39     -12.9502      1.00000
     40     -12.6565      1.00000
     41     -12.6281      1.00000
     42     -12.2751      1.00000
     43     -12.2479      1.00000
     44     -11.5737      1.00000
     45     -11.5542      1.00000
     46     -11.5014      1.00000
     47     -10.8789      1.00000
     48     -10.8694      1.00000
     49     -10.6826      1.00000
     50     -10.5258      1.00000
     51     -10.5212      1.00000
     52     -10.4342      1.00000
     53     -10.4169      1.00000
     54     -10.3709      1.00000
     55     -10.2888      1.00000
     56     -10.0615      1.00000
     57      -9.8326      1.00000
     58      -9.5596      1.00000
     59      -9.4853      1.00000
     60      -9.4449      1.00000
     61      -9.3562      1.00000
     62      -9.3400      1.00000
     63      -9.3085      1.00000
     64      -9.3034      1.00000
     65      -9.2068      1.00000
     66      -9.1000      1.00000
     67      -9.0689      1.00000
     68      -9.0498      1.00000
     69      -8.8512      1.00000
     70      -8.7974      1.00000
     71      -8.7787      1.00000
     72      -8.5275      1.00000
     73      -8.4974      1.00000
     74      -8.2270      1.00000
     75      -8.1300      1.00000
     76      -8.0936      1.00000
     77      -7.8073      1.00000
     78      -7.7682      1.00000
     79      -7.7403      1.00000
     80      -7.7033      1.00000
     81      -7.6361      1.00000
     82      -7.6253      1.00000
     83      -7.3883      1.00000
     84      -7.3448      1.00000
     85      -7.2196      1.00000
     86      -6.8442      1.00000
     87      -6.8211      1.00000
     88      -6.6404      1.00000
     89      -6.5300      1.00000
     90      -6.3420      1.00000
     91      -6.2735      1.00000
     92      -6.1960      1.00000
     93      -6.1324      1.00000
     94      -6.0217      1.00000
     95      -5.6373      1.00000
     96      -5.5092      1.00000
     97      -5.2982      1.00000
     98      -5.1565      1.00000
     99      -5.0408      1.00000
    100      -4.7266      1.00000
    101      -4.6861      1.00000
    102      -4.3681      1.00000
    103      -4.1851      1.00000
    104      -4.0093      1.00000
    105      -3.8284      1.00000
    106      -3.4845      1.00000
    107      -2.1647      0.00000
    108      -1.3840      0.00000
    109      -1.2361      0.00000
    110      -1.1850      0.00000
    111      -1.0145      0.00000
    112      -0.9562      0.00000
    113      -0.7978      0.00000
    114      -0.7525      0.00000
    115      -0.3666      0.00000
    116       0.2451      0.00000
    117       0.2764      0.00000
    118       0.3640      0.00000
    119       0.6996      0.00000
    120       0.8685      0.00000
    121       0.9656      0.00000
    122       1.1255      0.00000
    123       1.2353      0.00000
    124       1.4549      0.00000
    125       1.5559      0.00000
    126       1.7819      0.00000
    127       1.8505      0.00000
    128       1.8826      0.00000
    129       1.9864      0.00000
    130       2.0306      0.00000
    131       2.1974      0.00000
    132       2.2115      0.00000
    133       2.4026      0.00000
    134       2.4556      0.00000
    135       2.5488      0.00000
    136       2.6581      0.00000
    137       2.6845      0.00000
    138       2.7288      0.00000
    139       2.7702      0.00000
    140       2.8532      0.00000
    141       2.9660      0.00000
    142       3.0833      0.00000
    143       3.1894      0.00000
    144       3.2403      0.00000
    145       3.2560      0.00000
    146       3.2961      0.00000
    147       3.3365      0.00000
    148       3.4812      0.00000
    149       3.5103      0.00000
    150       3.7118      0.00000
    151       3.7230      0.00000
    152       3.7705      0.00000
    153       3.8612      0.00000
    154       3.8738      0.00000
    155       3.9007      0.00000
    156       3.9982      0.00000
    157       4.0020      0.00000
    158       4.0541      0.00000
    159       4.0630      0.00000
    160       4.0879      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3208      1.00000
      2     -21.7627      1.00000
      3     -21.5688      1.00000
      4     -21.5416      1.00000
      5     -21.2062      1.00000
      6     -21.1671      1.00000
      7     -20.9867      1.00000
      8     -20.0998      1.00000
      9     -20.0607      1.00000
     10     -19.5475      1.00000
     11     -19.5270      1.00000
     12     -19.3458      1.00000
     13     -19.0293      1.00000
     14     -18.9891      1.00000
     15     -18.9785      1.00000
     16     -18.9726      1.00000
     17     -18.2970      1.00000
     18     -18.2832      1.00000
     19     -17.9471      1.00000
     20     -17.0014      1.00000
     21     -16.9604      1.00000
     22     -16.8834      1.00000
     23     -16.8704      1.00000
     24     -16.4168      1.00000
     25     -16.3942      1.00000
     26     -15.5417      1.00000
     27     -15.5385      1.00000
     28     -15.1735      1.00000
     29     -15.1722      1.00000
     30     -15.1320      1.00000
     31     -15.0375      1.00000
     32     -15.0016      1.00000
     33     -14.6342      1.00000
     34     -14.6274      1.00000
     35     -13.6635      1.00000
     36     -13.6539      1.00000
     37     -13.1718      1.00000
     38     -12.5741      1.00000
     39     -12.5137      1.00000
     40     -12.3866      1.00000
     41     -12.3862      1.00000
     42     -12.0358      1.00000
     43     -12.0320      1.00000
     44     -11.6558      1.00000
     45     -11.6155      1.00000
     46     -11.2073      1.00000
     47     -11.1576      1.00000
     48     -10.9561      1.00000
     49     -10.9431      1.00000
     50     -10.8613      1.00000
     51     -10.8290      1.00000
     52     -10.6259      1.00000
     53     -10.1472      1.00000
     54     -10.0853      1.00000
     55     -10.0260      1.00000
     56      -9.9470      1.00000
     57      -9.6318      1.00000
     58      -9.6301      1.00000
     59      -9.6040      1.00000
     60      -9.5412      1.00000
     61      -9.5041      1.00000
     62      -9.4796      1.00000
     63      -9.2733      1.00000
     64      -9.2362      1.00000
     65      -9.2081      1.00000
     66      -9.1803      1.00000
     67      -9.0631      1.00000
     68      -9.0477      1.00000
     69      -9.0442      1.00000
     70      -8.8776      1.00000
     71      -8.8094      1.00000
     72      -8.5360      1.00000
     73      -8.5332      1.00000
     74      -8.5006      1.00000
     75      -8.0320      1.00000
     76      -7.8325      1.00000
     77      -7.8005      1.00000
     78      -7.7748      1.00000
     79      -7.7043      1.00000
     80      -7.6849      1.00000
     81      -7.4138      1.00000
     82      -7.2884      1.00000
     83      -7.2519      1.00000
     84      -7.2043      1.00000
     85      -7.0825      1.00000
     86      -7.0754      1.00000
     87      -6.9387      1.00000
     88      -6.7121      1.00000
     89      -6.6749      1.00000
     90      -6.6298      1.00000
     91      -6.5577      1.00000
     92      -6.0723      1.00000
     93      -6.0322      1.00000
     94      -6.0017      1.00000
     95      -5.9379      1.00000
     96      -5.8007      1.00000
     97      -5.1816      1.00000
     98      -4.8952      1.00000
     99      -4.7945      1.00000
    100      -4.6115      1.00000
    101      -4.5128      1.00000
    102      -4.1409      1.00000
    103      -4.0915      1.00000
    104      -3.9310      1.00000
    105      -3.9167      1.00000
    106      -3.8276      1.00000
    107      -1.7522      0.00000
    108      -1.6963      0.00000
    109      -1.4107      0.00000
    110      -1.3715      0.00000
    111      -1.2648      0.00000
    112      -1.2361      0.00000
    113      -0.6249      0.00000
    114      -0.5988      0.00000
    115      -0.1901      0.00000
    116       0.0416      0.00000
    117       0.5835      0.00000
    118       0.7409      0.00000
    119       0.8493      0.00000
    120       0.9279      0.00000
    121       1.1674      0.00000
    122       1.2109      0.00000
    123       1.2457      0.00000
    124       1.4191      0.00000
    125       1.5979      0.00000
    126       1.6384      0.00000
    127       1.7044      0.00000
    128       1.8042      0.00000
    129       1.9224      0.00000
    130       1.9397      0.00000
    131       2.1478      0.00000
    132       2.1728      0.00000
    133       2.2614      0.00000
    134       2.3020      0.00000
    135       2.5422      0.00000
    136       2.5594      0.00000
    137       2.6361      0.00000
    138       2.7608      0.00000
    139       2.8110      0.00000
    140       2.8449      0.00000
    141       2.8935      0.00000
    142       2.9407      0.00000
    143       3.0138      0.00000
    144       3.0284      0.00000
    145       3.0892      0.00000
    146       3.3113      0.00000
    147       3.3689      0.00000
    148       3.4172      0.00000
    149       3.4793      0.00000
    150       3.6079      0.00000
    151       3.6581      0.00000
    152       3.6669      0.00000
    153       3.6800      0.00000
    154       3.8919      0.00000
    155       3.9785      0.00000
    156       4.0244      0.00000
    157       4.0739      0.00000
    158       4.2384      0.00000
    159       4.2574      0.00000
    160       4.2660      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1422      1.00000
      2     -22.0492      1.00000
      3     -21.8871      1.00000
      4     -21.3366      1.00000
      5     -20.9779      1.00000
      6     -20.9483      1.00000
      7     -20.4292      1.00000
      8     -20.3971      1.00000
      9     -20.2172      1.00000
     10     -20.2150      1.00000
     11     -19.8889      1.00000
     12     -19.8250      1.00000
     13     -18.8187      1.00000
     14     -18.7479      1.00000
     15     -18.2668      1.00000
     16     -18.2527      1.00000
     17     -18.0813      1.00000
     18     -18.0744      1.00000
     19     -17.7469      1.00000
     20     -17.7311      1.00000
     21     -17.1959      1.00000
     22     -17.1723      1.00000
     23     -17.0895      1.00000
     24     -17.0690      1.00000
     25     -16.0552      1.00000
     26     -15.8095      1.00000
     27     -15.7999      1.00000
     28     -15.7785      1.00000
     29     -15.1599      1.00000
     30     -14.4865      1.00000
     31     -14.4652      1.00000
     32     -14.2048      1.00000
     33     -13.9175      1.00000
     34     -13.8876      1.00000
     35     -13.7598      1.00000
     36     -13.7397      1.00000
     37     -13.5371      1.00000
     38     -13.5112      1.00000
     39     -13.3026      1.00000
     40     -12.5778      1.00000
     41     -12.1019      1.00000
     42     -12.0779      1.00000
     43     -11.9994      1.00000
     44     -11.9519      1.00000
     45     -11.6066      1.00000
     46     -11.5988      1.00000
     47     -11.0854      1.00000
     48     -11.0617      1.00000
     49     -10.7328      1.00000
     50     -10.6655      1.00000
     51     -10.5600      1.00000
     52     -10.1407      1.00000
     53     -10.1362      1.00000
     54     -10.1016      1.00000
     55      -9.9669      1.00000
     56      -9.9262      1.00000
     57      -9.9224      1.00000
     58      -9.7521      1.00000
     59      -9.7300      1.00000
     60      -9.6982      1.00000
     61      -9.6953      1.00000
     62      -9.4014      1.00000
     63      -9.3900      1.00000
     64      -9.0693      1.00000
     65      -8.9834      1.00000
     66      -8.9822      1.00000
     67      -8.9065      1.00000
     68      -8.8129      1.00000
     69      -8.6504      1.00000
     70      -8.6345      1.00000
     71      -8.5482      1.00000
     72      -8.5026      1.00000
     73      -8.4835      1.00000
     74      -8.3949      1.00000
     75      -8.3835      1.00000
     76      -8.2106      1.00000
     77      -8.1024      1.00000
     78      -8.0077      1.00000
     79      -7.9024      1.00000
     80      -7.8440      1.00000
     81      -7.6222      1.00000
     82      -7.5334      1.00000
     83      -7.4578      1.00000
     84      -7.2532      1.00000
     85      -6.9439      1.00000
     86      -6.8696      1.00000
     87      -6.8107      1.00000
     88      -6.4787      1.00000
     89      -6.4691      1.00000
     90      -6.4101      1.00000
     91      -6.3606      1.00000
     92      -6.1910      1.00000
     93      -5.8587      1.00000
     94      -5.7383      1.00000
     95      -5.7117      1.00000
     96      -5.5243      1.00000
     97      -5.3299      1.00000
     98      -5.1728      1.00000
     99      -5.1681      1.00000
    100      -5.1346      1.00000
    101      -4.6966      1.00000
    102      -4.3486      1.00000
    103      -4.2801      1.00000
    104      -4.0295      1.00000
    105      -3.8298      1.00000
    106      -3.2336      1.00000
    107      -2.4054      0.00000
    108      -1.3461      0.00000
    109      -1.2442      0.00000
    110      -1.1534      0.00000
    111      -1.1087      0.00000
    112      -0.5836      0.00000
    113      -0.5217      0.00000
    114      -0.4342      0.00000
    115      -0.2750      0.00000
    116      -0.0713      0.00000
    117      -0.0114      0.00000
    118       0.0596      0.00000
    119       0.5832      0.00000
    120       0.7103      0.00000
    121       0.8092      0.00000
    122       0.9430      0.00000
    123       1.1822      0.00000
    124       1.5095      0.00000
    125       1.6187      0.00000
    126       1.8601      0.00000
    127       2.0044      0.00000
    128       2.0501      0.00000
    129       2.1130      0.00000
    130       2.1511      0.00000
    131       2.2649      0.00000
    132       2.2853      0.00000
    133       2.3488      0.00000
    134       2.4581      0.00000
    135       2.6098      0.00000
    136       2.7010      0.00000
    137       2.8190      0.00000
    138       2.9148      0.00000
    139       2.9425      0.00000
    140       3.0175      0.00000
    141       3.0497      0.00000
    142       3.1571      0.00000
    143       3.1632      0.00000
    144       3.2279      0.00000
    145       3.2992      0.00000
    146       3.3100      0.00000
    147       3.3531      0.00000
    148       3.3731      0.00000
    149       3.4167      0.00000
    150       3.4458      0.00000
    151       3.5627      0.00000
    152       3.6116      0.00000
    153       3.7010      0.00000
    154       3.7235      0.00000
    155       3.8474      0.00000
    156       3.9069      0.00000
    157       3.9316      0.00000
    158       3.9616      0.00000
    159       4.1484      0.00000
    160       4.1826      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2149      1.00000
      2     -22.0096      1.00000
      3     -21.6476      1.00000
      4     -21.6162      1.00000
      5     -20.9112      1.00000
      6     -20.8703      1.00000
      7     -20.5405      1.00000
      8     -20.5078      1.00000
      9     -20.5009      1.00000
     10     -19.9635      1.00000
     11     -19.4423      1.00000
     12     -19.4199      1.00000
     13     -19.2412      1.00000
     14     -19.2339      1.00000
     15     -18.3773      1.00000
     16     -18.3421      1.00000
     17     -17.8600      1.00000
     18     -17.8437      1.00000
     19     -17.6925      1.00000
     20     -17.6564      1.00000
     21     -17.3734      1.00000
     22     -17.3589      1.00000
     23     -17.2682      1.00000
     24     -16.4144      1.00000
     25     -16.3911      1.00000
     26     -15.9059      1.00000
     27     -15.3446      1.00000
     28     -15.3398      1.00000
     29     -15.0321      1.00000
     30     -15.0225      1.00000
     31     -14.7770      1.00000
     32     -14.7751      1.00000
     33     -14.2389      1.00000
     34     -14.1877      1.00000
     35     -13.3890      1.00000
     36     -13.3340      1.00000
     37     -13.1119      1.00000
     38     -13.1041      1.00000
     39     -12.9192      1.00000
     40     -12.9134      1.00000
     41     -12.5461      1.00000
     42     -12.5387      1.00000
     43     -12.1345      1.00000
     44     -11.5147      1.00000
     45     -11.4703      1.00000
     46     -11.2457      1.00000
     47     -11.2141      1.00000
     48     -11.0873      1.00000
     49     -10.7065      1.00000
     50     -10.5961      1.00000
     51     -10.5103      1.00000
     52     -10.2525      1.00000
     53     -10.2486      1.00000
     54     -10.1226      1.00000
     55     -10.0547      1.00000
     56     -10.0400      1.00000
     57      -9.7854      1.00000
     58      -9.6882      1.00000
     59      -9.6747      1.00000
     60      -9.6385      1.00000
     61      -9.6289      1.00000
     62      -9.5867      1.00000
     63      -9.2965      1.00000
     64      -9.2846      1.00000
     65      -9.2539      1.00000
     66      -9.0654      1.00000
     67      -8.8956      1.00000
     68      -8.8850      1.00000
     69      -8.7193      1.00000
     70      -8.5818      1.00000
     71      -8.5269      1.00000
     72      -8.3516      1.00000
     73      -8.3056      1.00000
     74      -8.2441      1.00000
     75      -8.2393      1.00000
     76      -8.1949      1.00000
     77      -8.1825      1.00000
     78      -8.1703      1.00000
     79      -8.1076      1.00000
     80      -7.6905      1.00000
     81      -7.4186      1.00000
     82      -7.3447      1.00000
     83      -7.2589      1.00000
     84      -7.1697      1.00000
     85      -7.1115      1.00000
     86      -7.0047      1.00000
     87      -6.9047      1.00000
     88      -6.8480      1.00000
     89      -6.5425      1.00000
     90      -6.4995      1.00000
     91      -6.2131      1.00000
     92      -6.2022      1.00000
     93      -5.8954      1.00000
     94      -5.6744      1.00000
     95      -5.6084      1.00000
     96      -5.5811      1.00000
     97      -5.2538      1.00000
     98      -5.2321      1.00000
     99      -5.1654      1.00000
    100      -5.1351      1.00000
    101      -4.6000      1.00000
    102      -4.2500      1.00000
    103      -4.0460      1.00000
    104      -3.8853      1.00000
    105      -3.8419      1.00000
    106      -3.8011      1.00000
    107      -1.8080      0.00000
    108      -1.7810      0.00000
    109      -1.2262      0.00000
    110      -1.1759      0.00000
    111      -0.9741      0.00000
    112      -0.7348      0.00000
    113      -0.6503      0.00000
    114      -0.5942      0.00000
    115      -0.5499      0.00000
    116      -0.1536      0.00000
    117       0.1760      0.00000
    118       0.2878      0.00000
    119       0.7050      0.00000
    120       0.9483      0.00000
    121       1.1690      0.00000
    122       1.2775      0.00000
    123       1.3447      0.00000
    124       1.5113      0.00000
    125       1.6077      0.00000
    126       1.6278      0.00000
    127       1.6916      0.00000
    128       1.7729      0.00000
    129       1.8623      0.00000
    130       2.0776      0.00000
    131       2.1645      0.00000
    132       2.3186      0.00000
    133       2.3933      0.00000
    134       2.4235      0.00000
    135       2.5549      0.00000
    136       2.6243      0.00000
    137       2.6881      0.00000
    138       2.7451      0.00000
    139       2.8142      0.00000
    140       2.9085      0.00000
    141       3.0540      0.00000
    142       3.0612      0.00000
    143       3.1828      0.00000
    144       3.2816      0.00000
    145       3.3793      0.00000
    146       3.4140      0.00000
    147       3.4596      0.00000
    148       3.5487      0.00000
    149       3.5768      0.00000
    150       3.6347      0.00000
    151       3.6642      0.00000
    152       3.7014      0.00000
    153       3.7858      0.00000
    154       3.7984      0.00000
    155       3.8238      0.00000
    156       3.8933      0.00000
    157       3.9081      0.00000
    158       3.9766      0.00000
    159       4.1897      0.00000
    160       4.2313      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0396   -7.2563    3.9835   -1.1320   -0.1854   17.3753    0.4901   -0.8147    0.7712   -0.4764
x    -3.1258   -0.0254   -0.0209   -0.0258    0.0911   -3.0538    0.0300   -0.0244    0.0084    0.0018
x    -0.0954   -0.0029    0.0035   -0.0031    0.0021   -0.0242    0.0000    0.0000   -0.0001    0.0001
x    -0.0035   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0396    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0034    0.0000    0.0004    0.0007    0.0028   -0.0984   -0.0314    0.0619    0.0183
y     0.0231   -3.2429   -0.1791    0.1701   -2.4146   -0.6651
z   204.0396    1.7398    0.2889    0.0896   -0.0013    0.0776   -0.0019    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1048    0.0015   -0.0010   -0.0001    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0013   -0.0001    0.0001    0.0000
z    -0.0001    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  -16.7019
z     0.1388    0.2295   -0.0316    0.0574   -0.0902    0.0006
 total charge-density along one line
x   212.0000  -10.0875    5.9304   -1.9409   -0.4210   19.2948   -0.6593    0.2075    0.0664   -0.1060
x    -2.7058   -0.0091    0.0014   -0.0447    0.0968   -2.3452    0.0475   -0.0344    0.0117    0.0024
x    -0.0855   -0.0054    0.0083   -0.0079    0.0053   -0.0375    0.0000   -0.0001    0.0004   -0.0004
x    -0.0054    0.0000   -0.0002    0.0001    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  -10.0875    5.9304   -1.9409   -0.4210   19.2948   -0.6593    0.2075    0.0664   -0.1060
y    -2.7058   -0.0091    0.0014   -0.0447    0.0968   -2.3452    0.0475   -0.0344    0.0117    0.0024
y    -0.0855   -0.0054    0.0083   -0.0079    0.0053   -0.0375    0.0000   -0.0001    0.0004   -0.0004
y    -0.0054    0.0000   -0.0002    0.0001    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 -205.3043  188.8674 -170.1652  154.0922 -140.4209  126.5192 -111.0359   94.7608  -79.0909
z    64.7210  -51.7845   40.5530  -31.5090   24.7937  -19.8706   15.8690  -12.2177    8.9097   -6.2239
z     4.2937   -2.9615    1.9626   -1.1536    0.5433   -0.1584   -0.0598    0.2211   -0.3842    0.5192
z    -0.5684    0.5244   -0.4406    0.3766   -0.3480    0.3295   -0.2951    0.2451   -0.1976    0.1643
z    -0.1416    0.1197   -0.0958    0.0748   -0.0611    0.0533   -0.0469    0.0391   -0.0314    0.0258
z    -0.0227    0.0203   -0.0173    0.0141   -0.0113    0.0093   -0.0076    0.0058   -0.0043    0.0032
z    -0.0022    0.0013   -0.0004   -0.0002    0.0004   -0.0004    0.0005   -0.0008    0.0009   -0.0007
z     0.0004   -0.0002    0.0001   -0.0001    0.0000    0.0002   -0.0003    0.0003   -0.0003    0.0003
z    -0.0003    0.0003   -0.0002    0.0002   -0.0002    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001
z     0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 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
-10.940   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.269   0.000  -0.101   0.000   0.000   0.239   0.000
  0.041   0.000 -11.244   0.000  -0.024  -0.006   0.000   0.238
  0.000  -0.101   0.000 -11.152   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.937   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.238   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.226   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.199   0.000   0.000   0.000
  0.036   0.000   0.100   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.026   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.940   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.269   0.000  -0.101   0.000   0.000   0.239   0.000
  0.041   0.000 -11.244   0.000  -0.024  -0.006   0.000   0.238
  0.000  -0.101   0.000 -11.152   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.937   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.238   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.226   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.199   0.000   0.000   0.000
  0.036   0.000   0.100   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.026   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.960   0.000  -0.027   0.000   0.002   0.021   0.000   0.057   0.000  -0.014  -0.026   0.025   0.000  -0.001   0.000   0.000
  0.000   1.586   0.000  -0.147   0.000   0.000   0.594   0.000   0.260   0.000   0.000   0.000   0.160   0.000   0.106  -0.035
 -0.027   0.000   1.789   0.000   0.019   0.044   0.000   0.354   0.000  -0.027  -0.233  -0.043   0.000   0.096   0.000   0.000
  0.000  -0.147   0.000   1.756   0.000   0.000   0.260   0.000   0.294   0.000   0.000   0.000   0.108   0.000   0.039   0.005
  0.002   0.000   0.019   0.000   1.966  -0.014   0.000  -0.035   0.000   0.003   0.010  -0.015   0.000   0.003   0.000   0.000
  0.021   0.000   0.044   0.000  -0.014   0.063   0.000   0.101   0.000  -0.024   0.192  -0.052   0.000   0.115   0.000   0.000
  0.000   0.594   0.000   0.260   0.000   0.000   0.329   0.000   0.106   0.000   0.000   0.000   0.057   0.000   0.066  -0.011
  0.057   0.000   0.354   0.000  -0.035   0.101   0.000   0.562   0.000  -0.057   0.700  -0.291   0.000   0.087   0.000   0.000
  0.000   0.260   0.000   0.294   0.000   0.000   0.106   0.000   0.206   0.000   0.000   0.000   0.065   0.000  -0.020  -0.006
 -0.014   0.000  -0.027   0.000   0.003  -0.024   0.000  -0.057   0.000   0.036  -0.109   0.030   0.000  -0.068   0.000   0.000
 -0.026   0.000  -0.233   0.000   0.010   0.192   0.000   0.700   0.000  -0.109   1.351  -0.432   0.000   0.266   0.000   0.000
  0.025   0.000  -0.043   0.000  -0.015  -0.052   0.000  -0.291   0.000   0.030  -0.432   0.192   0.000  -0.034   0.000   0.000
  0.000   0.160   0.000   0.108   0.000   0.000   0.057   0.000   0.065   0.000   0.000   0.000   0.043   0.000   0.012  -0.004
 -0.001   0.000   0.096   0.000   0.003   0.115   0.000   0.087   0.000  -0.068   0.266  -0.034   0.000   0.309   0.000   0.000
  0.000   0.106   0.000   0.039   0.000   0.000   0.066   0.000  -0.020   0.000   0.000   0.000   0.012   0.000   0.031  -0.002
  0.000  -0.035   0.000   0.005   0.000   0.000  -0.011   0.000  -0.006   0.000   0.000   0.000  -0.004   0.000  -0.002   0.001
  0.002   0.000  -0.037   0.000  -0.001  -0.005   0.000  -0.009   0.000   0.003  -0.006   0.000   0.000  -0.014   0.000   0.000
  0.000   0.005   0.000  -0.041   0.000   0.000  -0.006   0.000  -0.004   0.000   0.000   0.000  -0.002   0.000  -0.002   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        0.638   0.277   8.026   8.941
  2        0.514   0.028   0.000   0.542
  3        0.514   0.028   0.000   0.542
  4        0.864   1.783   0.000   2.647
  5        0.864   1.783   0.000   2.646
  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   1.783   0.000   2.647
 10        0.864   1.784   0.000   2.648
 11        0.863   1.783   0.000   2.646
 12        0.864   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.646
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.863   1.777   0.000   2.640
 17        0.856   1.773   0.000   2.629
 18        0.864   1.784   0.000   2.648
 19        0.864   1.782   0.000   2.646
 20        0.864   1.782   0.000   2.646
 21        0.863   1.781   0.000   2.644
 22        0.863   1.776   0.000   2.640
 23        0.863   1.783   0.000   2.646
 24        0.864   1.783   0.000   2.647
 25        0.864   1.783   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   1.783   0.000   2.647
 29        0.864   1.783   0.000   2.647
 30        0.864   1.783   0.000   2.647
 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   2.646
 34        0.864   1.782   0.000   2.646
 35        0.863   1.783   0.000   2.646
 36        0.863   1.776   0.000   2.640
 37        0.863   1.781   0.000   2.644
 38        0.864   1.782   0.000   2.646
 39        0.864   1.784   0.000   2.648
 40        0.864   1.784   0.000   2.648
 41        0.856   1.773   0.000   2.629
 42        0.863   1.777   0.000   2.640
 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   2.646
 46        0.864   1.785   0.000   2.648
 47        0.863   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   1.783   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   1.783   0.000   2.646
------------------------------------------------
tot       44.832  89.438   8.026 142.296
 


 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   89.94: CPU time   45.41
    FORLOC:  VPU time    1.09: CPU time    1.09
    FORNL :  VPU time  364.78: CPU time  182.80
    STRESS:  VPU time 1097.43: CPU time  551.42
    FORCOR:  VPU time    7.43: CPU time    7.43
    FORHAR:  VPU time    1.97: CPU time    1.97
    MIXING:  VPU time    0.14: CPU time    0.13
 d Force = 0.3705206E-04[ 0.279E-04, 0.462E-04]  d Energy = 0.3993849E-04-0.289E-05
 d Force = 0.9147836E+00[ 0.915E+00, 0.915E+00]  d Ewald  =-0.1178943E+01 0.209E+01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.644844 eV

  energy  without entropy=     -471.644844  energy(sigma->0) =     -471.644844
 

  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    40733.14  40749.80 -47434.88     14.43      0.00      0.00
  Hartree  40198.95  40202.73 -39453.43      3.27      0.00      0.00
  E(xc)     -779.75   -779.55   -807.27      0.17      0.00      0.00
  Local   -83225.28 -83239.59  84205.71    -12.39      0.00      0.00
  n-local   -215.82   -215.71   -203.85     -0.16      0.00      0.00
  augment     22.10     20.53     17.36     -1.35      0.00      0.00
  Kinetic   3168.80   3171.48   3582.26     -6.14      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.15     -0.16     -0.16     -0.01      0.00      0.00
  in kB       -0.09     -0.10     -0.10      0.00      0.00      0.00
  external pressure =       -0.10 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
    12.347299537  0.001677055  0.000000000     0.080983021  0.046740972  0.000000000
    -6.172204039 10.693909646  0.000000000    -0.000012700  0.093503840  0.000000000
     0.000000000  0.000000000 19.977559307     0.000000000  0.000000000  0.050056165

  length of vectors
    12.347299651 12.347299551 19.977559307     0.093503840  0.093503841  0.050056165


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.400E-05 -.457E-04 -.960E+03   0.433E-05 -.275E-04 0.968E+03   -.868E-21 -.202E-22 -.789E+01   -.412E-07 0.182E-07 0.173E-01
   -.175E+02 -.304E+02 -.136E+03   0.184E+02 0.318E+02 0.139E+03   -.828E+00 -.143E+01 -.258E+01   -.391E-03 -.679E-03 -.610E-03
   0.175E+02 0.304E+02 -.136E+03   -.184E+02 -.318E+02 0.139E+03   0.828E+00 0.143E+01 -.258E+01   0.391E-03 0.679E-03 -.610E-03
   -.197E+01 0.114E+01 0.169E+02   0.198E+01 -.114E+01 -.169E+02   -.970E-02 0.560E-02 -.771E-02   -.290E-03 0.164E-03 0.441E-02
   0.581E+01 0.688E+01 0.197E+02   -.582E+01 -.691E+01 -.197E+02   0.594E-02 0.346E-01 -.200E-01   0.224E-03 -.961E-03 0.423E-02
   0.112E+02 0.507E+01 0.183E+02   -.113E+02 -.508E+01 -.183E+02   0.271E-01 0.869E-02 -.549E-01   -.415E-03 -.683E-03 0.107E-02
   0.453E+01 -.101E+01 0.164E+02   -.455E+01 0.102E+01 -.164E+02   0.200E-01 -.184E-01 -.191E-02   -.648E-03 -.559E-04 -.253E-03
   -.292E+01 -.241E+01 0.149E+02   0.293E+01 0.242E+01 -.149E+02   -.155E-01 -.156E-01 -.164E-02   -.559E-03 -.256E-03 0.230E-02
   0.626E+00 0.373E+01 0.149E+02   -.632E+00 -.375E+01 -.149E+02   0.580E-02 0.212E-01 -.164E-02   -.630E-04 0.606E-03 0.230E-02
   0.274E+01 0.182E+02 0.246E+02   -.275E+01 -.183E+02 -.246E+02   0.835E-02 0.108E+00 -.697E-02   -.517E-04 0.126E-03 0.139E-02
   0.215E+02 0.226E+02 0.398E+02   -.216E+02 -.228E+02 -.398E+02   0.117E+00 0.230E+00 -.175E-01   -.613E-03 -.181E-02 -.276E-02
   0.265E+02 -.451E+01 0.270E+02   -.268E+02 0.463E+01 -.269E+02   0.236E+00 -.119E+00 -.576E-01   -.814E-03 -.933E-03 -.237E-02
   0.920E+01 -.531E+01 0.155E+02   -.922E+01 0.533E+01 -.155E+02   0.158E-01 -.910E-02 0.532E-03   -.625E-04 0.298E-04 0.884E-03
   0.314E+01 -.342E+01 0.164E+02   -.316E+01 0.343E+01 -.164E+02   0.259E-01 -.816E-02 -.191E-02   -.278E-03 0.585E-03 -.261E-03
   -.605E+01 0.132E+02 0.200E+02   0.606E+01 -.133E+02 -.200E+02   -.400E-02 0.735E-01 -.100E-01   -.172E-03 0.354E-03 -.139E-02
   -.123E+02 0.335E+02 0.460E+02   0.124E+02 -.342E+02 -.464E+02   -.929E-01 0.681E+00 0.347E+00   0.826E-03 -.183E-02 -.211E-02
   0.264E+02 -.153E+02 0.697E+02   -.274E+02 0.158E+02 -.719E+02   0.970E+00 -.560E+00 0.210E+01   0.672E-04 -.415E-04 0.154E-02
   0.172E+02 -.207E+02 0.270E+02   -.174E+02 0.209E+02 -.269E+02   0.221E+00 -.145E+00 -.576E-01   0.399E-03 0.116E-02 -.237E-02
   0.124E+01 -.123E+02 0.183E+02   -.124E+01 0.123E+02 -.183E+02   0.600E-02 -.278E-01 -.549E-01   0.387E-03 0.700E-03 0.106E-02
   -.388E+01 0.154E+01 0.144E+02   0.388E+01 -.154E+01 -.143E+02   -.664E-02 0.368E-02 -.408E-01   0.295E-03 -.529E-03 0.110E-02
   -.182E+02 0.105E+02 0.211E+02   0.182E+02 -.105E+02 -.210E+02   -.656E-01 0.379E-01 -.123E+00   0.857E-03 -.491E-03 -.738E-03
   -.351E+02 -.613E+01 0.460E+02   0.358E+02 0.640E+01 -.464E+02   -.636E+00 -.260E+00 0.347E+00   0.200E-02 0.200E-03 -.210E-02
   -.885E+01 -.299E+02 0.398E+02   0.898E+01 0.301E+02 -.398E+02   -.141E+00 -.216E+00 -.175E-01   0.126E-02 0.143E-02 -.276E-02
   -.305E+01 -.847E+01 0.197E+02   0.307E+01 0.849E+01 -.197E+02   -.270E-01 -.225E-01 -.200E-01   0.946E-03 0.284E-03 0.423E-02
   0.127E+01 -.732E+00 0.147E+02   -.127E+01 0.732E+00 -.146E+02   -.237E-02 0.137E-02 -.320E-01   0.503E-03 -.288E-03 0.333E-02
   -.328E+01 0.259E+01 0.144E+02   0.328E+01 -.259E+01 -.143E+02   -.651E-02 0.391E-02 -.408E-01   0.607E-03 0.134E-04 0.110E-02
   -.144E+02 -.135E+01 0.200E+02   0.145E+02 0.138E+01 -.200E+02   -.656E-01 -.333E-01 -.100E-01   -.391E-03 -.292E-04 -.139E-02
   -.144E+02 -.115E+02 0.246E+02   0.145E+02 0.116E+02 -.246E+02   -.891E-01 -.611E-01 -.697E-02   -.133E-03 -.234E-04 0.140E-02
   0.305E+01 0.847E+01 0.197E+02   -.307E+01 -.849E+01 -.197E+02   0.270E-01 0.225E-01 -.200E-01   -.946E-03 -.284E-03 0.423E-02
   0.144E+02 0.115E+02 0.246E+02   -.145E+02 -.116E+02 -.246E+02   0.891E-01 0.611E-01 -.697E-02   0.133E-03 0.234E-04 0.140E-02
   0.144E+02 0.135E+01 0.200E+02   -.145E+02 -.138E+01 -.200E+02   0.656E-01 0.333E-01 -.100E-01   0.391E-03 0.292E-04 -.139E-02
   0.327E+01 -.259E+01 0.144E+02   -.328E+01 0.259E+01 -.143E+02   0.651E-02 -.391E-02 -.408E-01   -.607E-03 -.134E-04 0.110E-02
   -.127E+01 0.732E+00 0.147E+02   0.127E+01 -.732E+00 -.146E+02   0.237E-02 -.137E-02 -.320E-01   -.503E-03 0.288E-03 0.333E-02
   -.124E+01 0.123E+02 0.183E+02   0.124E+01 -.123E+02 -.183E+02   -.600E-02 0.278E-01 -.549E-01   -.387E-03 -.700E-03 0.106E-02
   0.885E+01 0.299E+02 0.398E+02   -.898E+01 -.301E+02 -.398E+02   0.141E+00 0.216E+00 -.175E-01   -.126E-02 -.143E-02 -.276E-02
   0.351E+02 0.613E+01 0.460E+02   -.358E+02 -.640E+01 -.464E+02   0.636E+00 0.260E+00 0.347E+00   -.200E-02 -.200E-03 -.210E-02
   0.182E+02 -.105E+02 0.211E+02   -.182E+02 0.105E+02 -.210E+02   0.656E-01 -.379E-01 -.123E+00   -.857E-03 0.491E-03 -.738E-03
   0.388E+01 -.154E+01 0.144E+02   -.388E+01 0.154E+01 -.143E+02   0.664E-02 -.368E-02 -.408E-01   -.295E-03 0.529E-03 0.110E-02
   -.314E+01 0.342E+01 0.164E+02   0.316E+01 -.343E+01 -.164E+02   -.259E-01 0.816E-02 -.191E-02   0.278E-03 -.585E-03 -.261E-03
   -.172E+02 0.207E+02 0.270E+02   0.174E+02 -.209E+02 -.269E+02   -.221E+00 0.145E+00 -.576E-01   -.399E-03 -.116E-02 -.237E-02
   -.264E+02 0.153E+02 0.697E+02   0.274E+02 -.158E+02 -.719E+02   -.970E+00 0.560E+00 0.210E+01   -.672E-04 0.415E-04 0.154E-02
   0.123E+02 -.335E+02 0.460E+02   -.124E+02 0.342E+02 -.464E+02   0.929E-01 -.681E+00 0.347E+00   -.826E-03 0.183E-02 -.211E-02
   0.605E+01 -.132E+02 0.200E+02   -.606E+01 0.133E+02 -.200E+02   0.400E-02 -.735E-01 -.100E-01   0.172E-03 -.354E-03 -.139E-02
   -.626E+00 -.373E+01 0.149E+02   0.632E+00 0.375E+01 -.149E+02   -.580E-02 -.212E-01 -.164E-02   0.630E-04 -.606E-03 0.230E-02
   -.920E+01 0.531E+01 0.155E+02   0.922E+01 -.533E+01 -.155E+02   -.158E-01 0.910E-02 0.532E-03   0.625E-04 -.298E-04 0.884E-03
   -.265E+02 0.451E+01 0.270E+02   0.268E+02 -.463E+01 -.269E+02   -.236E+00 0.119E+00 -.576E-01   0.814E-03 0.933E-03 -.237E-02
   -.215E+02 -.226E+02 0.398E+02   0.216E+02 0.228E+02 -.398E+02   -.117E+00 -.230E+00 -.175E-01   0.613E-03 0.181E-02 -.276E-02
   -.274E+01 -.182E+02 0.246E+02   0.275E+01 0.183E+02 -.246E+02   -.835E-02 -.108E+00 -.697E-02   0.517E-04 -.126E-03 0.139E-02
   0.197E+01 -.114E+01 0.169E+02   -.198E+01 0.114E+01 -.169E+02   0.970E-02 -.560E-02 -.771E-02   0.290E-03 -.164E-03 0.441E-02
   0.292E+01 0.241E+01 0.149E+02   -.293E+01 -.242E+01 -.149E+02   0.155E-01 0.156E-01 -.164E-02   0.559E-03 0.256E-03 0.230E-02
   -.453E+01 0.101E+01 0.164E+02   0.455E+01 -.102E+01 -.164E+02   -.200E-01 0.184E-01 -.191E-02   0.648E-03 0.559E-04 -.253E-03
   -.112E+02 -.507E+01 0.183E+02   0.113E+02 0.508E+01 -.183E+02   -.271E-01 -.869E-02 -.549E-01   0.415E-03 0.683E-03 0.107E-02
   -.581E+01 -.688E+01 0.197E+02   0.582E+01 0.691E+01 -.197E+02   -.594E-02 -.346E-01 -.200E-01   -.224E-03 0.961E-03 0.423E-02
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.306E-03 0.856E+01   -.506E-13 0.693E-13 -.984E-12   -.127E-15 0.833E-16 -.862E+01   -.490E-07 0.155E-07 0.397E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85291      6.06061     12.33448         0.000000      0.000000      0.018526
      2.26073      6.76697     13.65374         0.001611      0.002790      0.001647
      1.44510      5.35425     13.65374        -0.001611     -0.002790      0.001647
      0.00058     -0.00033      9.95786        -0.001223      0.000706     -0.004757
     11.11207      2.13924      9.95961        -0.001213      0.003947     -0.003731
      9.87650      4.27880      9.97142         0.003974     -0.001999     -0.000655
      8.64327      6.41809      9.97047         0.000128     -0.003189      0.000716
     -4.93611      8.55522      9.96610        -0.000975     -0.000192     -0.001976
      2.47021     -0.00114      9.96610        -0.000322      0.000940     -0.001976
      1.23473      2.13608      9.97104        -0.001143     -0.006699      0.000532
     -0.00398      4.27468      9.99964         0.000887      0.004744      0.001403
     -1.23840      6.41577     10.00549         0.000054      0.002137      0.001297
     -2.46697      8.55470      9.97866        -0.005915      0.003415     -0.001506
      4.93851      0.00125      9.97047         0.002826      0.001483      0.000716
      3.70479      2.13645      9.97849         0.003296     -0.002284      0.000837
      2.47074      4.26299     10.04310        -0.003482     -0.001145     -0.000475
      1.22844      6.42115     10.11441        -0.003037      0.001753      0.002636
     -0.00032      8.56018     10.00549        -0.001824     -0.001115      0.001297
      7.40781      0.00289      9.97142         0.003718     -0.002442     -0.000655
      6.17333      2.14000      9.97153         0.000291      0.003323     -0.001102
      4.94035      4.27808      9.99952        -0.004980      0.002875      0.002507
      3.71861      6.42437     10.04310        -0.000749      0.003588     -0.000475
      2.47113      8.56169      9.99964        -0.003665     -0.003140      0.001403
      9.87850      0.00263      9.95961        -0.004025     -0.000923     -0.003731
      8.64259      2.14059      9.96254        -0.001097      0.000633     -0.003478
      7.40847      4.27933      9.97153        -0.002733     -0.001913     -0.001102
      6.17727      6.41892      9.97849         0.003626     -0.001713      0.000837
      4.94256      8.55824      9.97104         0.005230      0.004340      0.000532
     -0.00047      1.42467      9.95961         0.004025      0.000923     -0.003731
     -1.23673      3.56298      9.97104        -0.005230     -0.004340      0.000532
     -2.47144      5.70230      9.97849        -0.003626      0.001713      0.000837
     -3.70264      7.84188      9.97153         0.002733      0.001913     -0.001102
     -4.93676      9.98063      9.96254         0.001097     -0.000633     -0.003478
      2.47022      1.42442      9.97142        -0.003718      0.002442     -0.000655
      1.23470      3.55953      9.99964         0.003665      0.003140      0.001403
     -0.01278      5.69685     10.04310         0.000749     -0.003588     -0.000475
     -1.23452      7.84314      9.99952         0.004980     -0.002875      0.002507
     -2.46750      9.98122      9.97153        -0.000291     -0.003323     -0.001102
      4.93952      1.42606      9.97047        -0.002826     -0.001483      0.000716
      3.70615      3.56104     10.00549         0.001824      0.001115      0.001297
      2.47739      5.70007     10.11441         0.003037     -0.001753      0.002636
      1.23509      7.85823     10.04310         0.003482      0.001145     -0.000475
      0.00104      9.98477      9.97849        -0.003296      0.002284      0.000837
      7.40782      1.42845      9.96610         0.000322     -0.000940     -0.001976
      6.17280      3.56652      9.97866         0.005915     -0.003415     -0.001506
      4.94423      5.70545     10.00549        -0.000054     -0.002137      0.001297
      3.70981      7.84654      9.99964        -0.000887     -0.004744      0.001403
      2.47110      9.98514      9.97104         0.001143      0.006699      0.000532
      9.87745      1.42764      9.95786         0.001223     -0.000706     -0.004757
      8.64193      3.56600      9.96610         0.000975      0.000192     -0.001976
      7.40986      5.70481      9.97047        -0.000128      0.003189      0.000716
      6.17663      7.84410      9.97142        -0.003974      0.001999     -0.000655
      4.94106      9.98365      9.95961         0.001213     -0.003947     -0.003731
 -----------------------------------------------------------------------------------
    total drift:                               -0.001814      0.000306     -0.022536


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




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


    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  150.29: CPU time   75.23
     LOOP+:  VPU time 4425.31: CPU time 2257.96


----------------------------------------- Iteration   18(   1)  ---------------------------------------


    POTLOK:  VPU time    7.92: CPU time    7.74
    SETDIJ:  VPU time    0.28: CPU time    0.29
    EDDAV :  VPU time 1437.18: CPU time  733.68
 BZINTS: Fermi energy: -3.155559;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   90.00: CPU time   45.38
    MIXING:  VPU time    0.13: CPU time    0.12
    ------------------------------------------
      LOOP:  VPU time 1535.57: CPU time  787.24

 eigenvalue-minimisations  :  5840
 total energy-change (2. order) :-0.4716448E+03  (-0.2203305E-02)
 number of electron  212.0000030 magnetization    0.0000000
 augmentation part     7.9606964 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.30810E-02    rms(broyden)= 0.30796E-02
  rms(prec ) = 0.32994E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34050.44442970
  -1/2 Hartree   DENC   =    -40950.08031625
  -V(xc)+E(xc)   XCENC  =       726.60936947
  PAW double counting   =      4092.97496605    -4131.35559789
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.67755384
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64484917 eV

  energy without entropy =     -471.64484917  energy(sigma->0) =     -471.64484917


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




----------------------------------------- Iteration   18(   2)  ---------------------------------------


    POTLOK:  VPU time    7.74: CPU time    7.75
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1461.93: CPU time  746.17
 BZINTS: Fermi energy: -3.081099;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1470.02: CPU time  754.23

 eigenvalue-minimisations  :  5968
 total energy-change (2. order) :-0.1812451E-04  (-0.4196553E-04)
 number of electron  212.0000030 magnetization    0.0000000
 augmentation part     7.9606964 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34050.44442970
  -1/2 Hartree   DENC   =    -40950.16917589
  -V(xc)+E(xc)   XCENC  =       726.61386847
  PAW double counting   =      4093.00142054    -4131.38067732
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.59458640
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64486729 eV

  energy without entropy =     -471.64486729  energy(sigma->0) =     -471.64486729


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




 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 -58.5374       2 -39.9762       3 -39.9762       4 -58.2459       5 -58.2504
       6 -58.2576       7 -58.2484       8 -58.2465       9 -58.2465      10 -58.2626
      11 -58.3174      12 -58.2941      13 -58.2517      14 -58.2484      15 -58.2594
      16 -58.4401      17 -58.7335      18 -58.2941      19 -58.2576      20 -58.2520
      21 -58.2793      22 -58.4401      23 -58.3174      24 -58.2504      25 -58.2455
      26 -58.2520      27 -58.2594      28 -58.2626      29 -58.2503      30 -58.2625
      31 -58.2593      32 -58.2519      33 -58.2454      34 -58.2575      35 -58.3173
      36 -58.4400      37 -58.2792      38 -58.2519      39 -58.2483      40 -58.2940
      41 -58.7334      42 -58.4400      43 -58.2593      44 -58.2464      45 -58.2516
      46 -58.2940      47 -58.3173      48 -58.2625      49 -58.2458      50 -58.2464
      51 -58.2483      52 -58.2575      53 -58.2503
 
 
 
 E-fermi :  -3.0811     XC(G=0):  -2.3476     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     -22.3590      1.00000
      2     -21.5393      1.00000
      3     -21.4096      1.00000
      4     -21.4085      1.00000
      5     -21.3772      1.00000
      6     -21.3681      1.00000
      7     -21.3608      1.00000
      8     -19.6485      1.00000
      9     -19.5747      1.00000
     10     -19.5674      1.00000
     11     -19.5607      1.00000
     12     -19.5425      1.00000
     13     -19.5399      1.00000
     14     -18.7300      1.00000
     15     -18.6822      1.00000
     16     -18.6740      1.00000
     17     -18.6611      1.00000
     18     -18.6458      1.00000
     19     -18.6435      1.00000
     20     -16.5872      1.00000
     21     -16.5289      1.00000
     22     -16.5265      1.00000
     23     -16.5128      1.00000
     24     -16.4885      1.00000
     25     -16.4870      1.00000
     26     -15.5603      1.00000
     27     -15.5291      1.00000
     28     -15.5282      1.00000
     29     -15.5023      1.00000
     30     -15.4961      1.00000
     31     -15.4913      1.00000
     32     -14.2077      1.00000
     33     -14.1825      1.00000
     34     -14.1701      1.00000
     35     -14.1673      1.00000
     36     -14.1618      1.00000
     37     -14.1504      1.00000
     38     -11.8844      1.00000
     39     -11.8098      1.00000
     40     -11.7943      1.00000
     41     -11.7939      1.00000
     42     -11.7901      1.00000
     43     -11.7849      1.00000
     44     -11.7070      1.00000
     45     -11.7001      1.00000
     46     -11.6746      1.00000
     47     -11.6604      1.00000
     48     -11.6593      1.00000
     49     -11.6527      1.00000
     50     -10.6741      1.00000
     51     -10.3306      1.00000
     52     -10.3233      1.00000
     53     -10.3079      1.00000
     54     -10.3057      1.00000
     55     -10.2934      1.00000
     56     -10.2803      1.00000
     57      -9.9272      1.00000
     58      -9.3746      1.00000
     59      -9.3610      1.00000
     60      -9.3019      1.00000
     61      -9.2937      1.00000
     62      -9.2869      1.00000
     63      -9.0933      1.00000
     64      -9.0572      1.00000
     65      -9.0510      1.00000
     66      -9.0290      1.00000
     67      -9.0087      1.00000
     68      -9.0028      1.00000
     69      -9.0024      1.00000
     70      -8.9975      1.00000
     71      -8.9936      1.00000
     72      -8.9742      1.00000
     73      -8.9661      1.00000
     74      -8.9563      1.00000
     75      -8.4934      1.00000
     76      -7.5145      1.00000
     77      -7.4127      1.00000
     78      -7.4111      1.00000
     79      -7.4012      1.00000
     80      -7.3849      1.00000
     81      -7.3661      1.00000
     82      -7.3426      1.00000
     83      -7.3120      1.00000
     84      -7.2699      1.00000
     85      -7.2084      1.00000
     86      -7.1817      1.00000
     87      -7.1815      1.00000
     88      -7.0756      1.00000
     89      -6.5096      1.00000
     90      -6.4623      1.00000
     91      -6.3563      1.00000
     92      -6.2952      1.00000
     93      -6.2891      1.00000
     94      -6.2883      1.00000
     95      -5.8977      1.00000
     96      -5.8875      1.00000
     97      -5.0451      1.00000
     98      -4.9370      1.00000
     99      -4.5401      1.00000
    100      -4.3419      1.00000
    101      -4.3193      1.00000
    102      -4.3184      1.00000
    103      -4.1156      1.00000
    104      -3.9127      1.00000
    105      -3.9022      1.00000
    106      -3.8321      1.00000
    107      -1.6833      0.00000
    108      -1.6679      0.00000
    109      -1.5383      0.00000
    110      -1.5356      0.00000
    111      -1.5246      0.00000
    112      -1.5103      0.00000
    113      -0.5891      0.00000
    114       0.1338      0.00000
    115       0.2059      0.00000
    116       0.3239      0.00000
    117       0.3255      0.00000
    118       0.3332      0.00000
    119       0.4932      0.00000
    120       0.5936      0.00000
    121       1.2575      0.00000
    122       1.2693      0.00000
    123       1.5221      0.00000
    124       1.7882      0.00000
    125       1.8022      0.00000
    126       1.8052      0.00000
    127       1.8102      0.00000
    128       1.9448      0.00000
    129       1.9775      0.00000
    130       2.0308      0.00000
    131       2.0448      0.00000
    132       2.0501      0.00000
    133       2.0545      0.00000
    134       2.0575      0.00000
    135       2.3034      0.00000
    136       2.3210      0.00000
    137       2.6103      0.00000
    138       2.6170      0.00000
    139       2.6459      0.00000
    140       2.7190      0.00000
    141       2.8601      0.00000
    142       3.0180      0.00000
    143       3.0456      0.00000
    144       3.0807      0.00000
    145       3.0877      0.00000
    146       3.0935      0.00000
    147       3.0936      0.00000
    148       3.2290      0.00000
    149       3.4406      0.00000
    150       3.5360      0.00000
    151       3.7835      0.00000
    152       3.9432      0.00000
    153       3.9472      0.00000
    154       3.9534      0.00000
    155       3.9590      0.00000
    156       3.9946      0.00000
    157       4.1743      0.00000
    158       4.2597      0.00000
    159       4.2857      0.00000
    160       4.2857      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3224      1.00000
      2     -21.7638      1.00000
      3     -21.5730      1.00000
      4     -21.5403      1.00000
      5     -21.2102      1.00000
      6     -21.1653      1.00000
      7     -20.9895      1.00000
      8     -20.1041      1.00000
      9     -20.0599      1.00000
     10     -19.5484      1.00000
     11     -19.5239      1.00000
     12     -19.3514      1.00000
     13     -19.0268      1.00000
     14     -18.9919      1.00000
     15     -18.9838      1.00000
     16     -18.9713      1.00000
     17     -18.2995      1.00000
     18     -18.2802      1.00000
     19     -17.9542      1.00000
     20     -17.0116      1.00000
     21     -16.9617      1.00000
     22     -16.8807      1.00000
     23     -16.8707      1.00000
     24     -16.4067      1.00000
     25     -16.3920      1.00000
     26     -15.5535      1.00000
     27     -15.5383      1.00000
     28     -15.1994      1.00000
     29     -15.1713      1.00000
     30     -15.1171      1.00000
     31     -15.0301      1.00000
     32     -15.0051      1.00000
     33     -14.6380      1.00000
     34     -14.6265      1.00000
     35     -13.6691      1.00000
     36     -13.6539      1.00000
     37     -13.1718      1.00000
     38     -12.5528      1.00000
     39     -12.5198      1.00000
     40     -12.3933      1.00000
     41     -12.3805      1.00000
     42     -12.0587      1.00000
     43     -12.0360      1.00000
     44     -11.6609      1.00000
     45     -11.6189      1.00000
     46     -11.1816      1.00000
     47     -11.1590      1.00000
     48     -10.9666      1.00000
     49     -10.9431      1.00000
     50     -10.8750      1.00000
     51     -10.8393      1.00000
     52     -10.6038      1.00000
     53     -10.0951      1.00000
     54     -10.0912      1.00000
     55     -10.0476      1.00000
     56      -9.9721      1.00000
     57      -9.6555      1.00000
     58      -9.6317      1.00000
     59      -9.5937      1.00000
     60      -9.5313      1.00000
     61      -9.5120      1.00000
     62      -9.4812      1.00000
     63      -9.2655      1.00000
     64      -9.2435      1.00000
     65      -9.2228      1.00000
     66      -9.1678      1.00000
     67      -9.0702      1.00000
     68      -9.0493      1.00000
     69      -9.0426      1.00000
     70      -8.8842      1.00000
     71      -8.8078      1.00000
     72      -8.5772      1.00000
     73      -8.5241      1.00000
     74      -8.4582      1.00000
     75      -8.0372      1.00000
     76      -7.8124      1.00000
     77      -7.8084      1.00000
     78      -7.7937      1.00000
     79      -7.7024      1.00000
     80      -7.6926      1.00000
     81      -7.3641      1.00000
     82      -7.2755      1.00000
     83      -7.2660      1.00000
     84      -7.2171      1.00000
     85      -7.1743      1.00000
     86      -7.0100      1.00000
     87      -6.9485      1.00000
     88      -6.7479      1.00000
     89      -6.6736      1.00000
     90      -6.5957      1.00000
     91      -6.5608      1.00000
     92      -6.0523      1.00000
     93      -6.0483      1.00000
     94      -6.0228      1.00000
     95      -5.9603      1.00000
     96      -5.7380      1.00000
     97      -5.1547      1.00000
     98      -4.9899      1.00000
     99      -4.7199      1.00000
    100      -4.6122      1.00000
    101      -4.4402      1.00000
    102      -4.3741      1.00000
    103      -4.1222      1.00000
    104      -3.8686      1.00000
    105      -3.8323      1.00000
    106      -3.7916      1.00000
    107      -1.7856      0.00000
    108      -1.7398      0.00000
    109      -1.3963      0.00000
    110      -1.3464      0.00000
    111      -1.2661      0.00000
    112      -1.2271      0.00000
    113      -0.7473      0.00000
    114      -0.3812      0.00000
    115      -0.2205      0.00000
    116      -0.0208      0.00000
    117       0.5880      0.00000
    118       0.7359      0.00000
    119       0.7638      0.00000
    120       1.0491      0.00000
    121       1.1406      0.00000
    122       1.2489      0.00000
    123       1.2682      0.00000
    124       1.4114      0.00000
    125       1.4774      0.00000
    126       1.5813      0.00000
    127       1.7527      0.00000
    128       1.8381      0.00000
    129       1.8949      0.00000
    130       1.9573      0.00000
    131       2.1013      0.00000
    132       2.2324      0.00000
    133       2.2473      0.00000
    134       2.2937      0.00000
    135       2.4872      0.00000
    136       2.6091      0.00000
    137       2.6319      0.00000
    138       2.7654      0.00000
    139       2.7944      0.00000
    140       2.8516      0.00000
    141       2.8634      0.00000
    142       2.8905      0.00000
    143       2.9502      0.00000
    144       3.0800      0.00000
    145       3.2791      0.00000
    146       3.2993      0.00000
    147       3.3682      0.00000
    148       3.4004      0.00000
    149       3.4637      0.00000
    150       3.5844      0.00000
    151       3.6311      0.00000
    152       3.6681      0.00000
    153       3.7059      0.00000
    154       3.9029      0.00000
    155       3.9355      0.00000
    156       3.9793      0.00000
    157       4.0779      0.00000
    158       4.1987      0.00000
    159       4.2427      0.00000
    160       4.2934      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2168      1.00000
      2     -22.0104      1.00000
      3     -21.6517      1.00000
      4     -21.6146      1.00000
      5     -20.9154      1.00000
      6     -20.8690      1.00000
      7     -20.5481      1.00000
      8     -20.5087      1.00000
      9     -20.4983      1.00000
     10     -19.9659      1.00000
     11     -19.4446      1.00000
     12     -19.4177      1.00000
     13     -19.2438      1.00000
     14     -19.2294      1.00000
     15     -18.3863      1.00000
     16     -18.3422      1.00000
     17     -17.8621      1.00000
     18     -17.8412      1.00000
     19     -17.7001      1.00000
     20     -17.6575      1.00000
     21     -17.3742      1.00000
     22     -17.3581      1.00000
     23     -17.2764      1.00000
     24     -16.4032      1.00000
     25     -16.3885      1.00000
     26     -15.8991      1.00000
     27     -15.3543      1.00000
     28     -15.3395      1.00000
     29     -15.0365      1.00000
     30     -15.0231      1.00000
     31     -14.8012      1.00000
     32     -14.7768      1.00000
     33     -14.2242      1.00000
     34     -14.1920      1.00000
     35     -13.3731      1.00000
     36     -13.3393      1.00000
     37     -13.1216      1.00000
     38     -13.1043      1.00000
     39     -12.9188      1.00000
     40     -12.9055      1.00000
     41     -12.5585      1.00000
     42     -12.5406      1.00000
     43     -12.1353      1.00000
     44     -11.5235      1.00000
     45     -11.4758      1.00000
     46     -11.2553      1.00000
     47     -11.2218      1.00000
     48     -11.0816      1.00000
     49     -10.6594      1.00000
     50     -10.5908      1.00000
     51     -10.5249      1.00000
     52     -10.2605      1.00000
     53     -10.2510      1.00000
     54     -10.1241      1.00000
     55     -10.0506      1.00000
     56     -10.0428      1.00000
     57      -9.7707      1.00000
     58      -9.7080      1.00000
     59      -9.6820      1.00000
     60      -9.6321      1.00000
     61      -9.6290      1.00000
     62      -9.5899      1.00000
     63      -9.2964      1.00000
     64      -9.2874      1.00000
     65      -9.2548      1.00000
     66      -9.0871      1.00000
     67      -8.8996      1.00000
     68      -8.8849      1.00000
     69      -8.7266      1.00000
     70      -8.5896      1.00000
     71      -8.5156      1.00000
     72      -8.3325      1.00000
     73      -8.3043      1.00000
     74      -8.2661      1.00000
     75      -8.2350      1.00000
     76      -8.1967      1.00000
     77      -8.1876      1.00000
     78      -8.1724      1.00000
     79      -8.0996      1.00000
     80      -7.6899      1.00000
     81      -7.3569      1.00000
     82      -7.3121      1.00000
     83      -7.2664      1.00000
     84      -7.1888      1.00000
     85      -7.1267      1.00000
     86      -7.0783      1.00000
     87      -6.9085      1.00000
     88      -6.8839      1.00000
     89      -6.5505      1.00000
     90      -6.4945      1.00000
     91      -6.2110      1.00000
     92      -6.0707      1.00000
     93      -5.9428      1.00000
     94      -5.7156      1.00000
     95      -5.6343      1.00000
     96      -5.4539      1.00000
     97      -5.3060      1.00000
     98      -5.2356      1.00000
     99      -5.1536      1.00000
    100      -5.1528      1.00000
    101      -4.5213      1.00000
    102      -4.4702      1.00000
    103      -4.1426      1.00000
    104      -3.8355      1.00000
    105      -3.7578      1.00000
    106      -3.6811      1.00000
    107      -1.8715      0.00000
    108      -1.8252      0.00000
    109      -1.2794      0.00000
    110      -1.0362      0.00000
    111      -1.0133      0.00000
    112      -0.7141      0.00000
    113      -0.6403      0.00000
    114      -0.5893      0.00000
    115      -0.5471      0.00000
    116      -0.2057      0.00000
    117       0.2515      0.00000
    118       0.2777      0.00000
    119       0.7577      0.00000
    120       0.9426      0.00000
    121       1.1321      0.00000
    122       1.2257      0.00000
    123       1.3178      0.00000
    124       1.4091      0.00000
    125       1.5992      0.00000
    126       1.6328      0.00000
    127       1.6992      0.00000
    128       1.8194      0.00000
    129       1.9158      0.00000
    130       2.0104      0.00000
    131       2.1013      0.00000
    132       2.3203      0.00000
    133       2.3948      0.00000
    134       2.4303      0.00000
    135       2.5368      0.00000
    136       2.6327      0.00000
    137       2.7490      0.00000
    138       2.8124      0.00000
    139       2.8307      0.00000
    140       2.8847      0.00000
    141       3.0415      0.00000
    142       3.0887      0.00000
    143       3.1836      0.00000
    144       3.2354      0.00000
    145       3.3830      0.00000
    146       3.4206      0.00000
    147       3.4804      0.00000
    148       3.5732      0.00000
    149       3.5982      0.00000
    150       3.6260      0.00000
    151       3.6484      0.00000
    152       3.7394      0.00000
    153       3.7664      0.00000
    154       3.7835      0.00000
    155       3.8009      0.00000
    156       3.8906      0.00000
    157       3.9756      0.00000
    158       4.0015      0.00000
    159       4.1740      0.00000
    160       4.2329      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2506      1.00000
      2     -21.8961      1.00000
      3     -21.8255      1.00000
      4     -21.3141      1.00000
      5     -21.2838      1.00000
      6     -20.7728      1.00000
      7     -20.7070      1.00000
      8     -20.5586      1.00000
      9     -20.0110      1.00000
     10     -20.0037      1.00000
     11     -19.6502      1.00000
     12     -19.6258      1.00000
     13     -18.9316      1.00000
     14     -18.9232      1.00000
     15     -18.5729      1.00000
     16     -18.5584      1.00000
     17     -18.3961      1.00000
     18     -17.6167      1.00000
     19     -17.5607      1.00000
     20     -17.5558      1.00000
     21     -17.5143      1.00000
     22     -17.0582      1.00000
     23     -17.0397      1.00000
     24     -16.8932      1.00000
     25     -15.9316      1.00000
     26     -15.8690      1.00000
     27     -15.5187      1.00000
     28     -15.5179      1.00000
     29     -15.2298      1.00000
     30     -14.7970      1.00000
     31     -14.7690      1.00000
     32     -14.5171      1.00000
     33     -14.4732      1.00000
     34     -14.1030      1.00000
     35     -14.0924      1.00000
     36     -13.0784      1.00000
     37     -13.0356      1.00000
     38     -12.9687      1.00000
     39     -12.9566      1.00000
     40     -12.6472      1.00000
     41     -12.6408      1.00000
     42     -12.2760      1.00000
     43     -12.2448      1.00000
     44     -11.5883      1.00000
     45     -11.5618      1.00000
     46     -11.5080      1.00000
     47     -10.9052      1.00000
     48     -10.8529      1.00000
     49     -10.6217      1.00000
     50     -10.5616      1.00000
     51     -10.4870      1.00000
     52     -10.4353      1.00000
     53     -10.4257      1.00000
     54     -10.3731      1.00000
     55     -10.2963      1.00000
     56     -10.0663      1.00000
     57      -9.8351      1.00000
     58      -9.5507      1.00000
     59      -9.4908      1.00000
     60      -9.4706      1.00000
     61      -9.3479      1.00000
     62      -9.3326      1.00000
     63      -9.3127      1.00000
     64      -9.3107      1.00000
     65      -9.2160      1.00000
     66      -9.1129      1.00000
     67      -9.0817      1.00000
     68      -9.0509      1.00000
     69      -8.8479      1.00000
     70      -8.7944      1.00000
     71      -8.7755      1.00000
     72      -8.5288      1.00000
     73      -8.4763      1.00000
     74      -8.2215      1.00000
     75      -8.1108      1.00000
     76      -8.1011      1.00000
     77      -7.8088      1.00000
     78      -7.7862      1.00000
     79      -7.7835      1.00000
     80      -7.6745      1.00000
     81      -7.6338      1.00000
     82      -7.6315      1.00000
     83      -7.4019      1.00000
     84      -7.3263      1.00000
     85      -7.2001      1.00000
     86      -6.8406      1.00000
     87      -6.8309      1.00000
     88      -6.6629      1.00000
     89      -6.5400      1.00000
     90      -6.3465      1.00000
     91      -6.3089      1.00000
     92      -6.1853      1.00000
     93      -6.1482      1.00000
     94      -5.9789      1.00000
     95      -5.5734      1.00000
     96      -5.4275      1.00000
     97      -5.2601      1.00000
     98      -5.2491      1.00000
     99      -5.1504      1.00000
    100      -4.6967      1.00000
    101      -4.6658      1.00000
    102      -4.3491      1.00000
    103      -4.3149      1.00000
    104      -3.9644      1.00000
    105      -3.8285      1.00000
    106      -3.3912      1.00000
    107      -2.2207      0.00000
    108      -1.3771      0.00000
    109      -1.2880      0.00000
    110      -1.1745      0.00000
    111      -1.0794      0.00000
    112      -0.8951      0.00000
    113      -0.7696      0.00000
    114      -0.7583      0.00000
    115      -0.2220      0.00000
    116       0.1134      0.00000
    117       0.2631      0.00000
    118       0.3449      0.00000
    119       0.7318      0.00000
    120       0.9042      0.00000
    121       0.9708      0.00000
    122       1.0917      0.00000
    123       1.2036      0.00000
    124       1.5284      0.00000
    125       1.5620      0.00000
    126       1.7088      0.00000
    127       1.8368      0.00000
    128       1.8610      0.00000
    129       1.9642      0.00000
    130       1.9957      0.00000
    131       2.1555      0.00000
    132       2.2658      0.00000
    133       2.4539      0.00000
    134       2.4609      0.00000
    135       2.4984      0.00000
    136       2.6656      0.00000
    137       2.6846      0.00000
    138       2.7303      0.00000
    139       2.7429      0.00000
    140       2.8880      0.00000
    141       3.0208      0.00000
    142       3.0819      0.00000
    143       3.1911      0.00000
    144       3.2446      0.00000
    145       3.2532      0.00000
    146       3.2646      0.00000
    147       3.3589      0.00000
    148       3.4773      0.00000
    149       3.5268      0.00000
    150       3.6960      0.00000
    151       3.7484      0.00000
    152       3.7697      0.00000
    153       3.8311      0.00000
    154       3.8759      0.00000
    155       3.9413      0.00000
    156       3.9839      0.00000
    157       4.0210      0.00000
    158       4.0432      0.00000
    159       4.0488      0.00000
    160       4.0853      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1447      1.00000
      2     -22.0492      1.00000
      3     -21.8891      1.00000
      4     -21.3371      1.00000
      5     -20.9841      1.00000
      6     -20.9458      1.00000
      7     -20.4357      1.00000
      8     -20.3932      1.00000
      9     -20.2289      1.00000
     10     -20.2076      1.00000
     11     -19.8915      1.00000
     12     -19.8237      1.00000
     13     -18.8171      1.00000
     14     -18.7459      1.00000
     15     -18.2918      1.00000
     16     -18.2391      1.00000
     17     -18.0880      1.00000
     18     -18.0680      1.00000
     19     -17.7634      1.00000
     20     -17.7217      1.00000
     21     -17.1908      1.00000
     22     -17.1720      1.00000
     23     -17.1015      1.00000
     24     -17.0658      1.00000
     25     -16.0406      1.00000
     26     -15.8248      1.00000
     27     -15.8022      1.00000
     28     -15.7665      1.00000
     29     -15.1755      1.00000
     30     -14.4929      1.00000
     31     -14.4605      1.00000
     32     -14.2195      1.00000
     33     -13.8976      1.00000
     34     -13.8922      1.00000
     35     -13.7581      1.00000
     36     -13.7378      1.00000
     37     -13.5532      1.00000
     38     -13.5053      1.00000
     39     -13.3027      1.00000
     40     -12.5670      1.00000
     41     -12.1263      1.00000
     42     -12.0682      1.00000
     43     -12.0119      1.00000
     44     -11.9537      1.00000
     45     -11.6129      1.00000
     46     -11.5902      1.00000
     47     -11.0864      1.00000
     48     -11.0538      1.00000
     49     -10.7539      1.00000
     50     -10.6658      1.00000
     51     -10.5271      1.00000
     52     -10.1511      1.00000
     53     -10.1403      1.00000
     54     -10.0981      1.00000
     55      -9.9554      1.00000
     56      -9.9494      1.00000
     57      -9.9194      1.00000
     58      -9.7391      1.00000
     59      -9.7338      1.00000
     60      -9.7022      1.00000
     61      -9.6930      1.00000
     62      -9.4294      1.00000
     63      -9.3649      1.00000
     64      -9.0863      1.00000
     65      -9.0092      1.00000
     66      -8.9763      1.00000
     67      -8.8894      1.00000
     68      -8.8133      1.00000
     69      -8.6596      1.00000
     70      -8.6374      1.00000
     71      -8.5782      1.00000
     72      -8.4800      1.00000
     73      -8.4689      1.00000
     74      -8.3998      1.00000
     75      -8.3961      1.00000
     76      -8.1858      1.00000
     77      -8.1146      1.00000
     78      -7.9790      1.00000
     79      -7.9156      1.00000
     80      -7.8491      1.00000
     81      -7.6185      1.00000
     82      -7.5317      1.00000
     83      -7.4703      1.00000
     84      -7.2562      1.00000
     85      -6.9368      1.00000
     86      -6.8594      1.00000
     87      -6.8134      1.00000
     88      -6.5751      1.00000
     89      -6.4678      1.00000
     90      -6.4221      1.00000
     91      -6.3582      1.00000
     92      -6.0528      1.00000
     93      -5.8786      1.00000
     94      -5.7543      1.00000
     95      -5.7232      1.00000
     96      -5.4778      1.00000
     97      -5.3471      1.00000
     98      -5.1817      1.00000
     99      -5.1576      1.00000
    100      -5.1558      1.00000
    101      -4.7079      1.00000
    102      -4.4404      1.00000
    103      -4.2548      1.00000
    104      -3.9957      1.00000
    105      -3.8274      1.00000
    106      -3.1575      1.00000
    107      -2.4641      0.00000
    108      -1.3807      0.00000
    109      -1.2414      0.00000
    110      -1.1474      0.00000
    111      -1.1156      0.00000
    112      -0.5659      0.00000
    113      -0.4356      0.00000
    114      -0.4311      0.00000
    115      -0.3105      0.00000
    116      -0.1919      0.00000
    117       0.0610      0.00000
    118       0.1151      0.00000
    119       0.5398      0.00000
    120       0.6829      0.00000
    121       0.8689      0.00000
    122       0.9648      0.00000
    123       1.1079      0.00000
    124       1.4927      0.00000
    125       1.6586      0.00000
    126       1.8011      0.00000
    127       1.8711      0.00000
    128       2.0909      0.00000
    129       2.1343      0.00000
    130       2.1907      0.00000
    131       2.2123      0.00000
    132       2.3392      0.00000
    133       2.3568      0.00000
    134       2.4836      0.00000
    135       2.5730      0.00000
    136       2.6668      0.00000
    137       2.8785      0.00000
    138       2.9364      0.00000
    139       2.9636      0.00000
    140       2.9938      0.00000
    141       3.0374      0.00000
    142       3.1491      0.00000
    143       3.1749      0.00000
    144       3.2428      0.00000
    145       3.2882      0.00000
    146       3.3314      0.00000
    147       3.3485      0.00000
    148       3.3785      0.00000
    149       3.4060      0.00000
    150       3.4941      0.00000
    151       3.5458      0.00000
    152       3.6281      0.00000
    153       3.6874      0.00000
    154       3.7065      0.00000
    155       3.7174      0.00000
    156       3.9188      0.00000
    157       3.9348      0.00000
    158       4.0539      0.00000
    159       4.0864      0.00000
    160       4.1985      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2504      1.00000
      2     -21.8977      1.00000
      3     -21.8239      1.00000
      4     -21.3187      1.00000
      5     -21.2799      1.00000
      6     -20.7740      1.00000
      7     -20.7048      1.00000
      8     -20.5569      1.00000
      9     -20.0251      1.00000
     10     -19.9928      1.00000
     11     -19.6526      1.00000
     12     -19.6216      1.00000
     13     -18.9456      1.00000
     14     -18.9109      1.00000
     15     -18.5859      1.00000
     16     -18.5492      1.00000
     17     -18.3943      1.00000
     18     -17.6040      1.00000
     19     -17.5728      1.00000
     20     -17.5433      1.00000
     21     -17.5103      1.00000
     22     -17.0762      1.00000
     23     -17.0299      1.00000
     24     -16.9019      1.00000
     25     -15.9472      1.00000
     26     -15.8538      1.00000
     27     -15.5352      1.00000
     28     -15.5088      1.00000
     29     -15.2115      1.00000
     30     -14.8155      1.00000
     31     -14.7637      1.00000
     32     -14.5114      1.00000
     33     -14.4696      1.00000
     34     -14.0985      1.00000
     35     -14.0953      1.00000
     36     -13.1063      1.00000
     37     -13.0317      1.00000
     38     -12.9583      1.00000
     39     -12.9516      1.00000
     40     -12.6574      1.00000
     41     -12.6292      1.00000
     42     -12.2765      1.00000
     43     -12.2493      1.00000
     44     -11.5749      1.00000
     45     -11.5556      1.00000
     46     -11.5030      1.00000
     47     -10.8797      1.00000
     48     -10.8708      1.00000
     49     -10.6817      1.00000
     50     -10.5267      1.00000
     51     -10.5222      1.00000
     52     -10.4359      1.00000
     53     -10.4180      1.00000
     54     -10.3717      1.00000
     55     -10.2898      1.00000
     56     -10.0620      1.00000
     57      -9.8338      1.00000
     58      -9.5600      1.00000
     59      -9.4862      1.00000
     60      -9.4449      1.00000
     61      -9.3581      1.00000
     62      -9.3409      1.00000
     63      -9.3096      1.00000
     64      -9.3043      1.00000
     65      -9.2079      1.00000
     66      -9.1014      1.00000
     67      -9.0704      1.00000
     68      -9.0514      1.00000
     69      -8.8508      1.00000
     70      -8.7991      1.00000
     71      -8.7793      1.00000
     72      -8.5284      1.00000
     73      -8.4977      1.00000
     74      -8.2263      1.00000
     75      -8.1318      1.00000
     76      -8.0943      1.00000
     77      -7.8076      1.00000
     78      -7.7691      1.00000
     79      -7.7415      1.00000
     80      -7.7036      1.00000
     81      -7.6362      1.00000
     82      -7.6269      1.00000
     83      -7.3889      1.00000
     84      -7.3456      1.00000
     85      -7.2196      1.00000
     86      -6.8452      1.00000
     87      -6.8223      1.00000
     88      -6.6407      1.00000
     89      -6.5308      1.00000
     90      -6.3424      1.00000
     91      -6.2741      1.00000
     92      -6.1968      1.00000
     93      -6.1339      1.00000
     94      -6.0223      1.00000
     95      -5.6370      1.00000
     96      -5.5098      1.00000
     97      -5.2990      1.00000
     98      -5.1572      1.00000
     99      -5.0412      1.00000
    100      -4.7267      1.00000
    101      -4.6865      1.00000
    102      -4.3681      1.00000
    103      -4.1847      1.00000
    104      -4.0087      1.00000
    105      -3.8268      1.00000
    106      -3.4851      1.00000
    107      -2.1658      0.00000
    108      -1.3850      0.00000
    109      -1.2361      0.00000
    110      -1.1865      0.00000
    111      -1.0154      0.00000
    112      -0.9561      0.00000
    113      -0.7982      0.00000
    114      -0.7533      0.00000
    115      -0.3687      0.00000
    116       0.2448      0.00000
    117       0.2756      0.00000
    118       0.3629      0.00000
    119       0.6977      0.00000
    120       0.8679      0.00000
    121       0.9648      0.00000
    122       1.1232      0.00000
    123       1.2332      0.00000
    124       1.4530      0.00000
    125       1.5538      0.00000
    126       1.7794      0.00000
    127       1.8490      0.00000
    128       1.8795      0.00000
    129       1.9837      0.00000
    130       2.0275      0.00000
    131       2.1931      0.00000
    132       2.2092      0.00000
    133       2.4005      0.00000
    134       2.4483      0.00000
    135       2.5427      0.00000
    136       2.6572      0.00000
    137       2.6836      0.00000
    138       2.7272      0.00000
    139       2.7671      0.00000
    140       2.8492      0.00000
    141       2.9641      0.00000
    142       3.0799      0.00000
    143       3.1849      0.00000
    144       3.2349      0.00000
    145       3.2506      0.00000
    146       3.2910      0.00000
    147       3.3316      0.00000
    148       3.4771      0.00000
    149       3.5080      0.00000
    150       3.7070      0.00000
    151       3.7199      0.00000
    152       3.7699      0.00000
    153       3.8581      0.00000
    154       3.8706      0.00000
    155       3.8979      0.00000
    156       3.9960      0.00000
    157       3.9978      0.00000
    158       4.0476      0.00000
    159       4.0576      0.00000
    160       4.0856      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3223      1.00000
      2     -21.7642      1.00000
      3     -21.5703      1.00000
      4     -21.5430      1.00000
      5     -21.2077      1.00000
      6     -21.1685      1.00000
      7     -20.9881      1.00000
      8     -20.1012      1.00000
      9     -20.0621      1.00000
     10     -19.5488      1.00000
     11     -19.5285      1.00000
     12     -19.3471      1.00000
     13     -19.0305      1.00000
     14     -18.9904      1.00000
     15     -18.9800      1.00000
     16     -18.9740      1.00000
     17     -18.2983      1.00000
     18     -18.2846      1.00000
     19     -17.9484      1.00000
     20     -17.0026      1.00000
     21     -16.9616      1.00000
     22     -16.8845      1.00000
     23     -16.8715      1.00000
     24     -16.4180      1.00000
     25     -16.3954      1.00000
     26     -15.5433      1.00000
     27     -15.5402      1.00000
     28     -15.1751      1.00000
     29     -15.1738      1.00000
     30     -15.1326      1.00000
     31     -15.0383      1.00000
     32     -15.0025      1.00000
     33     -14.6356      1.00000
     34     -14.6290      1.00000
     35     -13.6648      1.00000
     36     -13.6554      1.00000
     37     -13.1725      1.00000
     38     -12.5744      1.00000
     39     -12.5145      1.00000
     40     -12.3877      1.00000
     41     -12.3872      1.00000
     42     -12.0373      1.00000
     43     -12.0337      1.00000
     44     -11.6577      1.00000
     45     -11.6174      1.00000
     46     -11.2075      1.00000
     47     -11.1587      1.00000
     48     -10.9569      1.00000
     49     -10.9440      1.00000
     50     -10.8630      1.00000
     51     -10.8308      1.00000
     52     -10.6258      1.00000
     53     -10.1471      1.00000
     54     -10.0860      1.00000
     55     -10.0263      1.00000
     56      -9.9476      1.00000
     57      -9.6330      1.00000
     58      -9.6314      1.00000
     59      -9.6050      1.00000
     60      -9.5423      1.00000
     61      -9.5054      1.00000
     62      -9.4810      1.00000
     63      -9.2736      1.00000
     64      -9.2370      1.00000
     65      -9.2092      1.00000
     66      -9.1821      1.00000
     67      -9.0642      1.00000
     68      -9.0486      1.00000
     69      -9.0450      1.00000
     70      -8.8785      1.00000
     71      -8.8113      1.00000
     72      -8.5357      1.00000
     73      -8.5350      1.00000
     74      -8.4992      1.00000
     75      -8.0321      1.00000
     76      -7.8337      1.00000
     77      -7.8007      1.00000
     78      -7.7765      1.00000
     79      -7.7049      1.00000
     80      -7.6856      1.00000
     81      -7.4141      1.00000
     82      -7.2885      1.00000
     83      -7.2527      1.00000
     84      -7.2050      1.00000
     85      -7.0831      1.00000
     86      -7.0760      1.00000
     87      -6.9406      1.00000
     88      -6.7126      1.00000
     89      -6.6757      1.00000
     90      -6.6307      1.00000
     91      -6.5588      1.00000
     92      -6.0724      1.00000
     93      -6.0325      1.00000
     94      -6.0029      1.00000
     95      -5.9398      1.00000
     96      -5.8010      1.00000
     97      -5.1807      1.00000
     98      -4.8946      1.00000
     99      -4.7950      1.00000
    100      -4.6123      1.00000
    101      -4.5130      1.00000
    102      -4.1408      1.00000
    103      -4.0916      1.00000
    104      -3.9313      1.00000
    105      -3.9168      1.00000
    106      -3.8261      1.00000
    107      -1.7533      0.00000
    108      -1.6975      0.00000
    109      -1.4120      0.00000
    110      -1.3712      0.00000
    111      -1.2658      0.00000
    112      -1.2364      0.00000
    113      -0.6269      0.00000
    114      -0.5988      0.00000
    115      -0.1908      0.00000
    116       0.0400      0.00000
    117       0.5819      0.00000
    118       0.7403      0.00000
    119       0.8481      0.00000
    120       0.9273      0.00000
    121       1.1669      0.00000
    122       1.2099      0.00000
    123       1.2443      0.00000
    124       1.4171      0.00000
    125       1.5959      0.00000
    126       1.6344      0.00000
    127       1.7028      0.00000
    128       1.8000      0.00000
    129       1.9209      0.00000
    130       1.9387      0.00000
    131       2.1435      0.00000
    132       2.1712      0.00000
    133       2.2592      0.00000
    134       2.2990      0.00000
    135       2.5397      0.00000
    136       2.5569      0.00000
    137       2.6292      0.00000
    138       2.7586      0.00000
    139       2.8057      0.00000
    140       2.8395      0.00000
    141       2.8928      0.00000
    142       2.9346      0.00000
    143       3.0108      0.00000
    144       3.0263      0.00000
    145       3.0859      0.00000
    146       3.3049      0.00000
    147       3.3633      0.00000
    148       3.4118      0.00000
    149       3.4754      0.00000
    150       3.6021      0.00000
    151       3.6555      0.00000
    152       3.6606      0.00000
    153       3.6772      0.00000
    154       3.8880      0.00000
    155       3.9726      0.00000
    156       4.0188      0.00000
    157       4.0712      0.00000
    158       4.2342      0.00000
    159       4.2548      0.00000
    160       4.2611      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1437      1.00000
      2     -22.0507      1.00000
      3     -21.8886      1.00000
      4     -21.3380      1.00000
      5     -20.9793      1.00000
      6     -20.9497      1.00000
      7     -20.4305      1.00000
      8     -20.3985      1.00000
      9     -20.2183      1.00000
     10     -20.2166      1.00000
     11     -19.8903      1.00000
     12     -19.8265      1.00000
     13     -18.8200      1.00000
     14     -18.7493      1.00000
     15     -18.2685      1.00000
     16     -18.2536      1.00000
     17     -18.0825      1.00000
     18     -18.0759      1.00000
     19     -17.7485      1.00000
     20     -17.7319      1.00000
     21     -17.1968      1.00000
     22     -17.1736      1.00000
     23     -17.0908      1.00000
     24     -17.0704      1.00000
     25     -16.0559      1.00000
     26     -15.8112      1.00000
     27     -15.8016      1.00000
     28     -15.7796      1.00000
     29     -15.1613      1.00000
     30     -14.4880      1.00000
     31     -14.4666      1.00000
     32     -14.2064      1.00000
     33     -13.9178      1.00000
     34     -13.8886      1.00000
     35     -13.7603      1.00000
     36     -13.7407      1.00000
     37     -13.5389      1.00000
     38     -13.5122      1.00000
     39     -13.3039      1.00000
     40     -12.5787      1.00000
     41     -12.1038      1.00000
     42     -12.0789      1.00000
     43     -12.0014      1.00000
     44     -11.9536      1.00000
     45     -11.6068      1.00000
     46     -11.5993      1.00000
     47     -11.0861      1.00000
     48     -11.0633      1.00000
     49     -10.7345      1.00000
     50     -10.6672      1.00000
     51     -10.5594      1.00000
     52     -10.1415      1.00000
     53     -10.1371      1.00000
     54     -10.1028      1.00000
     55      -9.9674      1.00000
     56      -9.9274      1.00000
     57      -9.9236      1.00000
     58      -9.7524      1.00000
     59      -9.7309      1.00000
     60      -9.6991      1.00000
     61      -9.6964      1.00000
     62      -9.4015      1.00000
     63      -9.3918      1.00000
     64      -9.0695      1.00000
     65      -8.9837      1.00000
     66      -8.9834      1.00000
     67      -8.9081      1.00000
     68      -8.8142      1.00000
     69      -8.6510      1.00000
     70      -8.6356      1.00000
     71      -8.5476      1.00000
     72      -8.5044      1.00000
     73      -8.4854      1.00000
     74      -8.3962      1.00000
     75      -8.3845      1.00000
     76      -8.2115      1.00000
     77      -8.1027      1.00000
     78      -8.0087      1.00000
     79      -7.9027      1.00000
     80      -7.8440      1.00000
     81      -7.6228      1.00000
     82      -7.5346      1.00000
     83      -7.4597      1.00000
     84      -7.2528      1.00000
     85      -6.9432      1.00000
     86      -6.8702      1.00000
     87      -6.8109      1.00000
     88      -6.4793      1.00000
     89      -6.4712      1.00000
     90      -6.4116      1.00000
     91      -6.3615      1.00000
     92      -6.1901      1.00000
     93      -5.8595      1.00000
     94      -5.7391      1.00000
     95      -5.7127      1.00000
     96      -5.5248      1.00000
     97      -5.3302      1.00000
     98      -5.1739      1.00000
     99      -5.1687      1.00000
    100      -5.1353      1.00000
    101      -4.6970      1.00000
    102      -4.3486      1.00000
    103      -4.2790      1.00000
    104      -4.0286      1.00000
    105      -3.8283      1.00000
    106      -3.2340      1.00000
    107      -2.4068      0.00000
    108      -1.3472      0.00000
    109      -1.2439      0.00000
    110      -1.1550      0.00000
    111      -1.1095      0.00000
    112      -0.5851      0.00000
    113      -0.5216      0.00000
    114      -0.4349      0.00000
    115      -0.2758      0.00000
    116      -0.0722      0.00000
    117      -0.0120      0.00000
    118       0.0591      0.00000
    119       0.5824      0.00000
    120       0.7094      0.00000
    121       0.8075      0.00000
    122       0.9402      0.00000
    123       1.1798      0.00000
    124       1.5071      0.00000
    125       1.6162      0.00000
    126       1.8557      0.00000
    127       2.0027      0.00000
    128       2.0481      0.00000
    129       2.1100      0.00000
    130       2.1448      0.00000
    131       2.2585      0.00000
    132       2.2839      0.00000
    133       2.3465      0.00000
    134       2.4536      0.00000
    135       2.6064      0.00000
    136       2.6991      0.00000
    137       2.8168      0.00000
    138       2.9144      0.00000
    139       2.9416      0.00000
    140       3.0135      0.00000
    141       3.0455      0.00000
    142       3.1556      0.00000
    143       3.1576      0.00000
    144       3.2233      0.00000
    145       3.2981      0.00000
    146       3.3074      0.00000
    147       3.3518      0.00000
    148       3.3718      0.00000
    149       3.4148      0.00000
    150       3.4400      0.00000
    151       3.5567      0.00000
    152       3.6081      0.00000
    153       3.6947      0.00000
    154       3.7163      0.00000
    155       3.8450      0.00000
    156       3.9020      0.00000
    157       3.9302      0.00000
    158       3.9581      0.00000
    159       4.1456      0.00000
    160       4.1797      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2163      1.00000
      2     -22.0111      1.00000
      3     -21.6491      1.00000
      4     -21.6176      1.00000
      5     -20.9127      1.00000
      6     -20.8717      1.00000
      7     -20.5419      1.00000
      8     -20.5092      1.00000
      9     -20.5023      1.00000
     10     -19.9649      1.00000
     11     -19.4436      1.00000
     12     -19.4214      1.00000
     13     -19.2427      1.00000
     14     -19.2353      1.00000
     15     -18.3786      1.00000
     16     -18.3433      1.00000
     17     -17.8613      1.00000
     18     -17.8450      1.00000
     19     -17.6938      1.00000
     20     -17.6576      1.00000
     21     -17.3746      1.00000
     22     -17.3601      1.00000
     23     -17.2694      1.00000
     24     -16.4156      1.00000
     25     -16.3923      1.00000
     26     -15.9067      1.00000
     27     -15.3461      1.00000
     28     -15.3414      1.00000
     29     -15.0336      1.00000
     30     -15.0241      1.00000
     31     -14.7786      1.00000
     32     -14.7766      1.00000
     33     -14.2395      1.00000
     34     -14.1886      1.00000
     35     -13.3894      1.00000
     36     -13.3348      1.00000
     37     -13.1133      1.00000
     38     -13.1056      1.00000
     39     -12.9203      1.00000
     40     -12.9145      1.00000
     41     -12.5475      1.00000
     42     -12.5402      1.00000
     43     -12.1350      1.00000
     44     -11.5167      1.00000
     45     -11.4722      1.00000
     46     -11.2475      1.00000
     47     -11.2160      1.00000
     48     -11.0875      1.00000
     49     -10.7055      1.00000
     50     -10.5974      1.00000
     51     -10.5111      1.00000
     52     -10.2534      1.00000
     53     -10.2496      1.00000
     54     -10.1233      1.00000
     55     -10.0561      1.00000
     56     -10.0413      1.00000
     57      -9.7856      1.00000
     58      -9.6889      1.00000
     59      -9.6757      1.00000
     60      -9.6393      1.00000
     61      -9.6300      1.00000
     62      -9.5879      1.00000
     63      -9.2973      1.00000
     64      -9.2854      1.00000
     65      -9.2558      1.00000
     66      -9.0646      1.00000
     67      -8.8967      1.00000
     68      -8.8861      1.00000
     69      -8.7204      1.00000
     70      -8.5816      1.00000
     71      -8.5287      1.00000
     72      -8.3523      1.00000
     73      -8.3066      1.00000
     74      -8.2460      1.00000
     75      -8.2403      1.00000
     76      -8.1965      1.00000
     77      -8.1840      1.00000
     78      -8.1717      1.00000
     79      -8.1066      1.00000
     80      -7.6912      1.00000
     81      -7.4183      1.00000
     82      -7.3442      1.00000
     83      -7.2597      1.00000
     84      -7.1699      1.00000
     85      -7.1121      1.00000
     86      -7.0054      1.00000
     87      -6.9057      1.00000
     88      -6.8489      1.00000
     89      -6.5446      1.00000
     90      -6.4994      1.00000
     91      -6.2122      1.00000
     92      -6.2041      1.00000
     93      -5.8964      1.00000
     94      -5.6748      1.00000
     95      -5.6083      1.00000
     96      -5.5820      1.00000
     97      -5.2549      1.00000
     98      -5.2330      1.00000
     99      -5.1661      1.00000
    100      -5.1358      1.00000
    101      -4.5997      1.00000
    102      -4.2491      1.00000
    103      -4.0452      1.00000
    104      -3.8858      1.00000
    105      -3.8407      1.00000
    106      -3.8012      1.00000
    107      -1.8092      0.00000
    108      -1.7823      0.00000
    109      -1.2274      0.00000
    110      -1.1754      0.00000
    111      -0.9750      0.00000
    112      -0.7362      0.00000
    113      -0.6504      0.00000
    114      -0.5950      0.00000
    115      -0.5502      0.00000
    116      -0.1559      0.00000
    117       0.1759      0.00000
    118       0.2874      0.00000
    119       0.7035      0.00000
    120       0.9459      0.00000
    121       1.1684      0.00000
    122       1.2765      0.00000
    123       1.3418      0.00000
    124       1.5089      0.00000
    125       1.6063      0.00000
    126       1.6264      0.00000
    127       1.6902      0.00000
    128       1.7712      0.00000
    129       1.8576      0.00000
    130       2.0721      0.00000
    131       2.1610      0.00000
    132       2.3134      0.00000
    133       2.3911      0.00000
    134       2.4211      0.00000
    135       2.5515      0.00000
    136       2.6226      0.00000
    137       2.6859      0.00000
    138       2.7393      0.00000
    139       2.8066      0.00000
    140       2.9054      0.00000
    141       3.0505      0.00000
    142       3.0598      0.00000
    143       3.1792      0.00000
    144       3.2785      0.00000
    145       3.3772      0.00000
    146       3.4104      0.00000
    147       3.4571      0.00000
    148       3.5454      0.00000
    149       3.5723      0.00000
    150       3.6321      0.00000
    151       3.6611      0.00000
    152       3.7007      0.00000
    153       3.7802      0.00000
    154       3.7923      0.00000
    155       3.8214      0.00000
    156       3.8908      0.00000
    157       3.9024      0.00000
    158       3.9707      0.00000
    159       4.1878      0.00000
    160       4.2252      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3590      1.00000
      2     -21.5393      1.00000
      3     -21.4096      1.00000
      4     -21.4085      1.00000
      5     -21.3772      1.00000
      6     -21.3681      1.00000
      7     -21.3608      1.00000
      8     -19.6485      1.00000
      9     -19.5747      1.00000
     10     -19.5674      1.00000
     11     -19.5607      1.00000
     12     -19.5425      1.00000
     13     -19.5399      1.00000
     14     -18.7300      1.00000
     15     -18.6822      1.00000
     16     -18.6740      1.00000
     17     -18.6611      1.00000
     18     -18.6458      1.00000
     19     -18.6435      1.00000
     20     -16.5872      1.00000
     21     -16.5289      1.00000
     22     -16.5265      1.00000
     23     -16.5128      1.00000
     24     -16.4885      1.00000
     25     -16.4870      1.00000
     26     -15.5603      1.00000
     27     -15.5291      1.00000
     28     -15.5282      1.00000
     29     -15.5023      1.00000
     30     -15.4961      1.00000
     31     -15.4913      1.00000
     32     -14.2077      1.00000
     33     -14.1825      1.00000
     34     -14.1701      1.00000
     35     -14.1673      1.00000
     36     -14.1618      1.00000
     37     -14.1504      1.00000
     38     -11.8844      1.00000
     39     -11.8098      1.00000
     40     -11.7943      1.00000
     41     -11.7939      1.00000
     42     -11.7901      1.00000
     43     -11.7849      1.00000
     44     -11.7070      1.00000
     45     -11.7001      1.00000
     46     -11.6746      1.00000
     47     -11.6604      1.00000
     48     -11.6593      1.00000
     49     -11.6527      1.00000
     50     -10.6741      1.00000
     51     -10.3306      1.00000
     52     -10.3233      1.00000
     53     -10.3079      1.00000
     54     -10.3057      1.00000
     55     -10.2934      1.00000
     56     -10.2803      1.00000
     57      -9.9272      1.00000
     58      -9.3746      1.00000
     59      -9.3610      1.00000
     60      -9.3019      1.00000
     61      -9.2937      1.00000
     62      -9.2869      1.00000
     63      -9.0933      1.00000
     64      -9.0572      1.00000
     65      -9.0510      1.00000
     66      -9.0290      1.00000
     67      -9.0087      1.00000
     68      -9.0028      1.00000
     69      -9.0024      1.00000
     70      -8.9975      1.00000
     71      -8.9936      1.00000
     72      -8.9742      1.00000
     73      -8.9661      1.00000
     74      -8.9563      1.00000
     75      -8.4934      1.00000
     76      -7.5145      1.00000
     77      -7.4127      1.00000
     78      -7.4111      1.00000
     79      -7.4012      1.00000
     80      -7.3849      1.00000
     81      -7.3661      1.00000
     82      -7.3426      1.00000
     83      -7.3120      1.00000
     84      -7.2699      1.00000
     85      -7.2084      1.00000
     86      -7.1817      1.00000
     87      -7.1815      1.00000
     88      -7.0756      1.00000
     89      -6.5096      1.00000
     90      -6.4623      1.00000
     91      -6.3563      1.00000
     92      -6.2952      1.00000
     93      -6.2891      1.00000
     94      -6.2883      1.00000
     95      -5.8977      1.00000
     96      -5.8875      1.00000
     97      -5.0451      1.00000
     98      -4.9370      1.00000
     99      -4.5401      1.00000
    100      -4.3419      1.00000
    101      -4.3193      1.00000
    102      -4.3184      1.00000
    103      -4.1156      1.00000
    104      -3.9127      1.00000
    105      -3.9022      1.00000
    106      -3.8321      1.00000
    107      -1.6833      0.00000
    108      -1.6679      0.00000
    109      -1.5383      0.00000
    110      -1.5356      0.00000
    111      -1.5246      0.00000
    112      -1.5103      0.00000
    113      -0.5891      0.00000
    114       0.1338      0.00000
    115       0.2059      0.00000
    116       0.3239      0.00000
    117       0.3255      0.00000
    118       0.3332      0.00000
    119       0.4932      0.00000
    120       0.5936      0.00000
    121       1.2575      0.00000
    122       1.2693      0.00000
    123       1.5221      0.00000
    124       1.7882      0.00000
    125       1.8022      0.00000
    126       1.8052      0.00000
    127       1.8102      0.00000
    128       1.9448      0.00000
    129       1.9775      0.00000
    130       2.0308      0.00000
    131       2.0448      0.00000
    132       2.0501      0.00000
    133       2.0545      0.00000
    134       2.0575      0.00000
    135       2.3034      0.00000
    136       2.3210      0.00000
    137       2.6103      0.00000
    138       2.6170      0.00000
    139       2.6459      0.00000
    140       2.7190      0.00000
    141       2.8601      0.00000
    142       3.0180      0.00000
    143       3.0456      0.00000
    144       3.0807      0.00000
    145       3.0877      0.00000
    146       3.0935      0.00000
    147       3.0936      0.00000
    148       3.2290      0.00000
    149       3.4406      0.00000
    150       3.5360      0.00000
    151       3.7835      0.00000
    152       3.9432      0.00000
    153       3.9472      0.00000
    154       3.9534      0.00000
    155       3.9590      0.00000
    156       3.9946      0.00000
    157       4.1743      0.00000
    158       4.2597      0.00000
    159       4.2857      0.00000
    160       4.2857      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3224      1.00000
      2     -21.7638      1.00000
      3     -21.5730      1.00000
      4     -21.5403      1.00000
      5     -21.2102      1.00000
      6     -21.1653      1.00000
      7     -20.9895      1.00000
      8     -20.1041      1.00000
      9     -20.0599      1.00000
     10     -19.5484      1.00000
     11     -19.5239      1.00000
     12     -19.3514      1.00000
     13     -19.0268      1.00000
     14     -18.9919      1.00000
     15     -18.9838      1.00000
     16     -18.9713      1.00000
     17     -18.2995      1.00000
     18     -18.2802      1.00000
     19     -17.9542      1.00000
     20     -17.0116      1.00000
     21     -16.9617      1.00000
     22     -16.8807      1.00000
     23     -16.8707      1.00000
     24     -16.4067      1.00000
     25     -16.3920      1.00000
     26     -15.5535      1.00000
     27     -15.5383      1.00000
     28     -15.1994      1.00000
     29     -15.1713      1.00000
     30     -15.1171      1.00000
     31     -15.0301      1.00000
     32     -15.0051      1.00000
     33     -14.6380      1.00000
     34     -14.6265      1.00000
     35     -13.6691      1.00000
     36     -13.6539      1.00000
     37     -13.1718      1.00000
     38     -12.5528      1.00000
     39     -12.5198      1.00000
     40     -12.3933      1.00000
     41     -12.3805      1.00000
     42     -12.0587      1.00000
     43     -12.0360      1.00000
     44     -11.6609      1.00000
     45     -11.6189      1.00000
     46     -11.1816      1.00000
     47     -11.1590      1.00000
     48     -10.9666      1.00000
     49     -10.9431      1.00000
     50     -10.8750      1.00000
     51     -10.8393      1.00000
     52     -10.6038      1.00000
     53     -10.0951      1.00000
     54     -10.0912      1.00000
     55     -10.0476      1.00000
     56      -9.9721      1.00000
     57      -9.6555      1.00000
     58      -9.6317      1.00000
     59      -9.5937      1.00000
     60      -9.5313      1.00000
     61      -9.5120      1.00000
     62      -9.4812      1.00000
     63      -9.2655      1.00000
     64      -9.2435      1.00000
     65      -9.2228      1.00000
     66      -9.1678      1.00000
     67      -9.0702      1.00000
     68      -9.0493      1.00000
     69      -9.0426      1.00000
     70      -8.8842      1.00000
     71      -8.8078      1.00000
     72      -8.5772      1.00000
     73      -8.5241      1.00000
     74      -8.4582      1.00000
     75      -8.0372      1.00000
     76      -7.8124      1.00000
     77      -7.8084      1.00000
     78      -7.7937      1.00000
     79      -7.7024      1.00000
     80      -7.6926      1.00000
     81      -7.3641      1.00000
     82      -7.2755      1.00000
     83      -7.2660      1.00000
     84      -7.2171      1.00000
     85      -7.1743      1.00000
     86      -7.0100      1.00000
     87      -6.9485      1.00000
     88      -6.7479      1.00000
     89      -6.6736      1.00000
     90      -6.5957      1.00000
     91      -6.5608      1.00000
     92      -6.0523      1.00000
     93      -6.0483      1.00000
     94      -6.0228      1.00000
     95      -5.9603      1.00000
     96      -5.7380      1.00000
     97      -5.1547      1.00000
     98      -4.9899      1.00000
     99      -4.7199      1.00000
    100      -4.6122      1.00000
    101      -4.4402      1.00000
    102      -4.3741      1.00000
    103      -4.1222      1.00000
    104      -3.8686      1.00000
    105      -3.8323      1.00000
    106      -3.7916      1.00000
    107      -1.7856      0.00000
    108      -1.7398      0.00000
    109      -1.3963      0.00000
    110      -1.3464      0.00000
    111      -1.2661      0.00000
    112      -1.2271      0.00000
    113      -0.7473      0.00000
    114      -0.3812      0.00000
    115      -0.2205      0.00000
    116      -0.0208      0.00000
    117       0.5880      0.00000
    118       0.7359      0.00000
    119       0.7638      0.00000
    120       1.0491      0.00000
    121       1.1406      0.00000
    122       1.2489      0.00000
    123       1.2682      0.00000
    124       1.4114      0.00000
    125       1.4774      0.00000
    126       1.5813      0.00000
    127       1.7527      0.00000
    128       1.8381      0.00000
    129       1.8949      0.00000
    130       1.9573      0.00000
    131       2.1013      0.00000
    132       2.2324      0.00000
    133       2.2473      0.00000
    134       2.2937      0.00000
    135       2.4872      0.00000
    136       2.6091      0.00000
    137       2.6319      0.00000
    138       2.7654      0.00000
    139       2.7944      0.00000
    140       2.8516      0.00000
    141       2.8634      0.00000
    142       2.8905      0.00000
    143       2.9502      0.00000
    144       3.0800      0.00000
    145       3.2791      0.00000
    146       3.2993      0.00000
    147       3.3682      0.00000
    148       3.4004      0.00000
    149       3.4637      0.00000
    150       3.5844      0.00000
    151       3.6312      0.00000
    152       3.6681      0.00000
    153       3.7059      0.00000
    154       3.9029      0.00000
    155       3.9355      0.00000
    156       3.9793      0.00000
    157       4.0779      0.00000
    158       4.1987      0.00000
    159       4.2427      0.00000
    160       4.2934      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2168      1.00000
      2     -22.0104      1.00000
      3     -21.6517      1.00000
      4     -21.6146      1.00000
      5     -20.9154      1.00000
      6     -20.8690      1.00000
      7     -20.5481      1.00000
      8     -20.5087      1.00000
      9     -20.4983      1.00000
     10     -19.9659      1.00000
     11     -19.4446      1.00000
     12     -19.4177      1.00000
     13     -19.2438      1.00000
     14     -19.2294      1.00000
     15     -18.3863      1.00000
     16     -18.3422      1.00000
     17     -17.8621      1.00000
     18     -17.8412      1.00000
     19     -17.7001      1.00000
     20     -17.6575      1.00000
     21     -17.3742      1.00000
     22     -17.3581      1.00000
     23     -17.2764      1.00000
     24     -16.4032      1.00000
     25     -16.3885      1.00000
     26     -15.8991      1.00000
     27     -15.3543      1.00000
     28     -15.3395      1.00000
     29     -15.0365      1.00000
     30     -15.0231      1.00000
     31     -14.8012      1.00000
     32     -14.7768      1.00000
     33     -14.2242      1.00000
     34     -14.1920      1.00000
     35     -13.3731      1.00000
     36     -13.3393      1.00000
     37     -13.1216      1.00000
     38     -13.1043      1.00000
     39     -12.9188      1.00000
     40     -12.9055      1.00000
     41     -12.5585      1.00000
     42     -12.5406      1.00000
     43     -12.1353      1.00000
     44     -11.5235      1.00000
     45     -11.4758      1.00000
     46     -11.2553      1.00000
     47     -11.2218      1.00000
     48     -11.0816      1.00000
     49     -10.6594      1.00000
     50     -10.5908      1.00000
     51     -10.5249      1.00000
     52     -10.2605      1.00000
     53     -10.2510      1.00000
     54     -10.1241      1.00000
     55     -10.0506      1.00000
     56     -10.0428      1.00000
     57      -9.7707      1.00000
     58      -9.7080      1.00000
     59      -9.6820      1.00000
     60      -9.6321      1.00000
     61      -9.6290      1.00000
     62      -9.5899      1.00000
     63      -9.2964      1.00000
     64      -9.2874      1.00000
     65      -9.2548      1.00000
     66      -9.0871      1.00000
     67      -8.8996      1.00000
     68      -8.8849      1.00000
     69      -8.7266      1.00000
     70      -8.5896      1.00000
     71      -8.5156      1.00000
     72      -8.3325      1.00000
     73      -8.3043      1.00000
     74      -8.2661      1.00000
     75      -8.2350      1.00000
     76      -8.1967      1.00000
     77      -8.1876      1.00000
     78      -8.1724      1.00000
     79      -8.0996      1.00000
     80      -7.6899      1.00000
     81      -7.3569      1.00000
     82      -7.3121      1.00000
     83      -7.2664      1.00000
     84      -7.1888      1.00000
     85      -7.1267      1.00000
     86      -7.0783      1.00000
     87      -6.9085      1.00000
     88      -6.8839      1.00000
     89      -6.5505      1.00000
     90      -6.4945      1.00000
     91      -6.2110      1.00000
     92      -6.0707      1.00000
     93      -5.9428      1.00000
     94      -5.7156      1.00000
     95      -5.6343      1.00000
     96      -5.4539      1.00000
     97      -5.3060      1.00000
     98      -5.2356      1.00000
     99      -5.1536      1.00000
    100      -5.1528      1.00000
    101      -4.5213      1.00000
    102      -4.4702      1.00000
    103      -4.1426      1.00000
    104      -3.8355      1.00000
    105      -3.7578      1.00000
    106      -3.6811      1.00000
    107      -1.8715      0.00000
    108      -1.8252      0.00000
    109      -1.2794      0.00000
    110      -1.0362      0.00000
    111      -1.0133      0.00000
    112      -0.7141      0.00000
    113      -0.6403      0.00000
    114      -0.5893      0.00000
    115      -0.5471      0.00000
    116      -0.2057      0.00000
    117       0.2515      0.00000
    118       0.2777      0.00000
    119       0.7577      0.00000
    120       0.9426      0.00000
    121       1.1321      0.00000
    122       1.2257      0.00000
    123       1.3178      0.00000
    124       1.4091      0.00000
    125       1.5992      0.00000
    126       1.6328      0.00000
    127       1.6992      0.00000
    128       1.8194      0.00000
    129       1.9158      0.00000
    130       2.0104      0.00000
    131       2.1013      0.00000
    132       2.3203      0.00000
    133       2.3948      0.00000
    134       2.4303      0.00000
    135       2.5368      0.00000
    136       2.6327      0.00000
    137       2.7490      0.00000
    138       2.8124      0.00000
    139       2.8307      0.00000
    140       2.8847      0.00000
    141       3.0415      0.00000
    142       3.0887      0.00000
    143       3.1836      0.00000
    144       3.2354      0.00000
    145       3.3830      0.00000
    146       3.4206      0.00000
    147       3.4804      0.00000
    148       3.5732      0.00000
    149       3.5982      0.00000
    150       3.6260      0.00000
    151       3.6484      0.00000
    152       3.7394      0.00000
    153       3.7664      0.00000
    154       3.7835      0.00000
    155       3.8009      0.00000
    156       3.8906      0.00000
    157       3.9756      0.00000
    158       4.0015      0.00000
    159       4.1740      0.00000
    160       4.2329      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2506      1.00000
      2     -21.8961      1.00000
      3     -21.8255      1.00000
      4     -21.3141      1.00000
      5     -21.2838      1.00000
      6     -20.7728      1.00000
      7     -20.7070      1.00000
      8     -20.5586      1.00000
      9     -20.0110      1.00000
     10     -20.0037      1.00000
     11     -19.6502      1.00000
     12     -19.6258      1.00000
     13     -18.9316      1.00000
     14     -18.9232      1.00000
     15     -18.5729      1.00000
     16     -18.5584      1.00000
     17     -18.3961      1.00000
     18     -17.6167      1.00000
     19     -17.5607      1.00000
     20     -17.5558      1.00000
     21     -17.5143      1.00000
     22     -17.0582      1.00000
     23     -17.0397      1.00000
     24     -16.8932      1.00000
     25     -15.9316      1.00000
     26     -15.8690      1.00000
     27     -15.5187      1.00000
     28     -15.5179      1.00000
     29     -15.2298      1.00000
     30     -14.7970      1.00000
     31     -14.7690      1.00000
     32     -14.5171      1.00000
     33     -14.4732      1.00000
     34     -14.1030      1.00000
     35     -14.0924      1.00000
     36     -13.0784      1.00000
     37     -13.0356      1.00000
     38     -12.9687      1.00000
     39     -12.9566      1.00000
     40     -12.6472      1.00000
     41     -12.6408      1.00000
     42     -12.2760      1.00000
     43     -12.2448      1.00000
     44     -11.5883      1.00000
     45     -11.5618      1.00000
     46     -11.5080      1.00000
     47     -10.9052      1.00000
     48     -10.8529      1.00000
     49     -10.6217      1.00000
     50     -10.5616      1.00000
     51     -10.4870      1.00000
     52     -10.4353      1.00000
     53     -10.4257      1.00000
     54     -10.3731      1.00000
     55     -10.2963      1.00000
     56     -10.0663      1.00000
     57      -9.8351      1.00000
     58      -9.5507      1.00000
     59      -9.4908      1.00000
     60      -9.4706      1.00000
     61      -9.3479      1.00000
     62      -9.3326      1.00000
     63      -9.3127      1.00000
     64      -9.3107      1.00000
     65      -9.2160      1.00000
     66      -9.1129      1.00000
     67      -9.0817      1.00000
     68      -9.0509      1.00000
     69      -8.8479      1.00000
     70      -8.7944      1.00000
     71      -8.7755      1.00000
     72      -8.5288      1.00000
     73      -8.4763      1.00000
     74      -8.2215      1.00000
     75      -8.1108      1.00000
     76      -8.1011      1.00000
     77      -7.8088      1.00000
     78      -7.7862      1.00000
     79      -7.7835      1.00000
     80      -7.6745      1.00000
     81      -7.6338      1.00000
     82      -7.6315      1.00000
     83      -7.4019      1.00000
     84      -7.3263      1.00000
     85      -7.2001      1.00000
     86      -6.8406      1.00000
     87      -6.8309      1.00000
     88      -6.6629      1.00000
     89      -6.5400      1.00000
     90      -6.3465      1.00000
     91      -6.3089      1.00000
     92      -6.1853      1.00000
     93      -6.1482      1.00000
     94      -5.9789      1.00000
     95      -5.5734      1.00000
     96      -5.4275      1.00000
     97      -5.2601      1.00000
     98      -5.2491      1.00000
     99      -5.1504      1.00000
    100      -4.6967      1.00000
    101      -4.6658      1.00000
    102      -4.3491      1.00000
    103      -4.3149      1.00000
    104      -3.9644      1.00000
    105      -3.8285      1.00000
    106      -3.3912      1.00000
    107      -2.2207      0.00000
    108      -1.3771      0.00000
    109      -1.2880      0.00000
    110      -1.1745      0.00000
    111      -1.0794      0.00000
    112      -0.8951      0.00000
    113      -0.7696      0.00000
    114      -0.7583      0.00000
    115      -0.2220      0.00000
    116       0.1134      0.00000
    117       0.2631      0.00000
    118       0.3449      0.00000
    119       0.7318      0.00000
    120       0.9042      0.00000
    121       0.9708      0.00000
    122       1.0917      0.00000
    123       1.2036      0.00000
    124       1.5284      0.00000
    125       1.5620      0.00000
    126       1.7088      0.00000
    127       1.8368      0.00000
    128       1.8610      0.00000
    129       1.9642      0.00000
    130       1.9957      0.00000
    131       2.1555      0.00000
    132       2.2658      0.00000
    133       2.4539      0.00000
    134       2.4609      0.00000
    135       2.4984      0.00000
    136       2.6656      0.00000
    137       2.6846      0.00000
    138       2.7303      0.00000
    139       2.7429      0.00000
    140       2.8880      0.00000
    141       3.0208      0.00000
    142       3.0819      0.00000
    143       3.1911      0.00000
    144       3.2446      0.00000
    145       3.2532      0.00000
    146       3.2646      0.00000
    147       3.3589      0.00000
    148       3.4773      0.00000
    149       3.5268      0.00000
    150       3.6960      0.00000
    151       3.7484      0.00000
    152       3.7697      0.00000
    153       3.8311      0.00000
    154       3.8759      0.00000
    155       3.9413      0.00000
    156       3.9839      0.00000
    157       4.0210      0.00000
    158       4.0432      0.00000
    159       4.0488      0.00000
    160       4.0853      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1447      1.00000
      2     -22.0492      1.00000
      3     -21.8891      1.00000
      4     -21.3371      1.00000
      5     -20.9841      1.00000
      6     -20.9458      1.00000
      7     -20.4357      1.00000
      8     -20.3932      1.00000
      9     -20.2289      1.00000
     10     -20.2076      1.00000
     11     -19.8915      1.00000
     12     -19.8237      1.00000
     13     -18.8171      1.00000
     14     -18.7459      1.00000
     15     -18.2918      1.00000
     16     -18.2391      1.00000
     17     -18.0880      1.00000
     18     -18.0680      1.00000
     19     -17.7634      1.00000
     20     -17.7217      1.00000
     21     -17.1908      1.00000
     22     -17.1720      1.00000
     23     -17.1015      1.00000
     24     -17.0658      1.00000
     25     -16.0406      1.00000
     26     -15.8248      1.00000
     27     -15.8022      1.00000
     28     -15.7665      1.00000
     29     -15.1755      1.00000
     30     -14.4929      1.00000
     31     -14.4605      1.00000
     32     -14.2195      1.00000
     33     -13.8976      1.00000
     34     -13.8922      1.00000
     35     -13.7581      1.00000
     36     -13.7378      1.00000
     37     -13.5532      1.00000
     38     -13.5053      1.00000
     39     -13.3027      1.00000
     40     -12.5670      1.00000
     41     -12.1263      1.00000
     42     -12.0682      1.00000
     43     -12.0119      1.00000
     44     -11.9537      1.00000
     45     -11.6129      1.00000
     46     -11.5902      1.00000
     47     -11.0864      1.00000
     48     -11.0538      1.00000
     49     -10.7539      1.00000
     50     -10.6658      1.00000
     51     -10.5271      1.00000
     52     -10.1511      1.00000
     53     -10.1403      1.00000
     54     -10.0981      1.00000
     55      -9.9554      1.00000
     56      -9.9494      1.00000
     57      -9.9194      1.00000
     58      -9.7391      1.00000
     59      -9.7338      1.00000
     60      -9.7022      1.00000
     61      -9.6930      1.00000
     62      -9.4294      1.00000
     63      -9.3649      1.00000
     64      -9.0863      1.00000
     65      -9.0092      1.00000
     66      -8.9763      1.00000
     67      -8.8894      1.00000
     68      -8.8133      1.00000
     69      -8.6596      1.00000
     70      -8.6374      1.00000
     71      -8.5782      1.00000
     72      -8.4800      1.00000
     73      -8.4689      1.00000
     74      -8.3998      1.00000
     75      -8.3961      1.00000
     76      -8.1858      1.00000
     77      -8.1146      1.00000
     78      -7.9790      1.00000
     79      -7.9156      1.00000
     80      -7.8491      1.00000
     81      -7.6185      1.00000
     82      -7.5317      1.00000
     83      -7.4703      1.00000
     84      -7.2562      1.00000
     85      -6.9368      1.00000
     86      -6.8594      1.00000
     87      -6.8134      1.00000
     88      -6.5751      1.00000
     89      -6.4678      1.00000
     90      -6.4221      1.00000
     91      -6.3582      1.00000
     92      -6.0528      1.00000
     93      -5.8786      1.00000
     94      -5.7543      1.00000
     95      -5.7232      1.00000
     96      -5.4778      1.00000
     97      -5.3471      1.00000
     98      -5.1817      1.00000
     99      -5.1576      1.00000
    100      -5.1558      1.00000
    101      -4.7079      1.00000
    102      -4.4404      1.00000
    103      -4.2548      1.00000
    104      -3.9957      1.00000
    105      -3.8274      1.00000
    106      -3.1575      1.00000
    107      -2.4641      0.00000
    108      -1.3807      0.00000
    109      -1.2414      0.00000
    110      -1.1474      0.00000
    111      -1.1156      0.00000
    112      -0.5659      0.00000
    113      -0.4356      0.00000
    114      -0.4311      0.00000
    115      -0.3105      0.00000
    116      -0.1919      0.00000
    117       0.0610      0.00000
    118       0.1151      0.00000
    119       0.5398      0.00000
    120       0.6829      0.00000
    121       0.8689      0.00000
    122       0.9648      0.00000
    123       1.1079      0.00000
    124       1.4927      0.00000
    125       1.6586      0.00000
    126       1.8011      0.00000
    127       1.8711      0.00000
    128       2.0909      0.00000
    129       2.1343      0.00000
    130       2.1907      0.00000
    131       2.2123      0.00000
    132       2.3392      0.00000
    133       2.3568      0.00000
    134       2.4836      0.00000
    135       2.5730      0.00000
    136       2.6668      0.00000
    137       2.8785      0.00000
    138       2.9364      0.00000
    139       2.9636      0.00000
    140       2.9939      0.00000
    141       3.0374      0.00000
    142       3.1491      0.00000
    143       3.1749      0.00000
    144       3.2428      0.00000
    145       3.2882      0.00000
    146       3.3314      0.00000
    147       3.3485      0.00000
    148       3.3785      0.00000
    149       3.4060      0.00000
    150       3.4941      0.00000
    151       3.5458      0.00000
    152       3.6281      0.00000
    153       3.6874      0.00000
    154       3.7065      0.00000
    155       3.7174      0.00000
    156       3.9188      0.00000
    157       3.9348      0.00000
    158       4.0539      0.00000
    159       4.0864      0.00000
    160       4.1985      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2504      1.00000
      2     -21.8977      1.00000
      3     -21.8239      1.00000
      4     -21.3187      1.00000
      5     -21.2799      1.00000
      6     -20.7740      1.00000
      7     -20.7048      1.00000
      8     -20.5569      1.00000
      9     -20.0251      1.00000
     10     -19.9928      1.00000
     11     -19.6526      1.00000
     12     -19.6216      1.00000
     13     -18.9456      1.00000
     14     -18.9109      1.00000
     15     -18.5859      1.00000
     16     -18.5492      1.00000
     17     -18.3943      1.00000
     18     -17.6040      1.00000
     19     -17.5728      1.00000
     20     -17.5433      1.00000
     21     -17.5103      1.00000
     22     -17.0762      1.00000
     23     -17.0299      1.00000
     24     -16.9019      1.00000
     25     -15.9472      1.00000
     26     -15.8538      1.00000
     27     -15.5352      1.00000
     28     -15.5088      1.00000
     29     -15.2115      1.00000
     30     -14.8155      1.00000
     31     -14.7637      1.00000
     32     -14.5114      1.00000
     33     -14.4696      1.00000
     34     -14.0985      1.00000
     35     -14.0953      1.00000
     36     -13.1063      1.00000
     37     -13.0317      1.00000
     38     -12.9583      1.00000
     39     -12.9516      1.00000
     40     -12.6574      1.00000
     41     -12.6292      1.00000
     42     -12.2765      1.00000
     43     -12.2493      1.00000
     44     -11.5749      1.00000
     45     -11.5556      1.00000
     46     -11.5030      1.00000
     47     -10.8797      1.00000
     48     -10.8708      1.00000
     49     -10.6817      1.00000
     50     -10.5267      1.00000
     51     -10.5222      1.00000
     52     -10.4359      1.00000
     53     -10.4180      1.00000
     54     -10.3717      1.00000
     55     -10.2898      1.00000
     56     -10.0620      1.00000
     57      -9.8338      1.00000
     58      -9.5600      1.00000
     59      -9.4862      1.00000
     60      -9.4449      1.00000
     61      -9.3581      1.00000
     62      -9.3409      1.00000
     63      -9.3096      1.00000
     64      -9.3043      1.00000
     65      -9.2079      1.00000
     66      -9.1014      1.00000
     67      -9.0704      1.00000
     68      -9.0514      1.00000
     69      -8.8508      1.00000
     70      -8.7991      1.00000
     71      -8.7793      1.00000
     72      -8.5284      1.00000
     73      -8.4977      1.00000
     74      -8.2263      1.00000
     75      -8.1318      1.00000
     76      -8.0943      1.00000
     77      -7.8076      1.00000
     78      -7.7691      1.00000
     79      -7.7415      1.00000
     80      -7.7036      1.00000
     81      -7.6362      1.00000
     82      -7.6269      1.00000
     83      -7.3889      1.00000
     84      -7.3456      1.00000
     85      -7.2196      1.00000
     86      -6.8452      1.00000
     87      -6.8223      1.00000
     88      -6.6407      1.00000
     89      -6.5308      1.00000
     90      -6.3424      1.00000
     91      -6.2741      1.00000
     92      -6.1968      1.00000
     93      -6.1339      1.00000
     94      -6.0223      1.00000
     95      -5.6370      1.00000
     96      -5.5098      1.00000
     97      -5.2990      1.00000
     98      -5.1572      1.00000
     99      -5.0412      1.00000
    100      -4.7267      1.00000
    101      -4.6865      1.00000
    102      -4.3681      1.00000
    103      -4.1847      1.00000
    104      -4.0087      1.00000
    105      -3.8268      1.00000
    106      -3.4851      1.00000
    107      -2.1658      0.00000
    108      -1.3850      0.00000
    109      -1.2361      0.00000
    110      -1.1865      0.00000
    111      -1.0154      0.00000
    112      -0.9561      0.00000
    113      -0.7982      0.00000
    114      -0.7533      0.00000
    115      -0.3687      0.00000
    116       0.2448      0.00000
    117       0.2756      0.00000
    118       0.3629      0.00000
    119       0.6977      0.00000
    120       0.8679      0.00000
    121       0.9648      0.00000
    122       1.1232      0.00000
    123       1.2332      0.00000
    124       1.4530      0.00000
    125       1.5538      0.00000
    126       1.7794      0.00000
    127       1.8490      0.00000
    128       1.8795      0.00000
    129       1.9837      0.00000
    130       2.0275      0.00000
    131       2.1931      0.00000
    132       2.2092      0.00000
    133       2.4005      0.00000
    134       2.4483      0.00000
    135       2.5427      0.00000
    136       2.6572      0.00000
    137       2.6836      0.00000
    138       2.7272      0.00000
    139       2.7671      0.00000
    140       2.8492      0.00000
    141       2.9641      0.00000
    142       3.0799      0.00000
    143       3.1849      0.00000
    144       3.2349      0.00000
    145       3.2506      0.00000
    146       3.2910      0.00000
    147       3.3316      0.00000
    148       3.4771      0.00000
    149       3.5080      0.00000
    150       3.7070      0.00000
    151       3.7199      0.00000
    152       3.7699      0.00000
    153       3.8581      0.00000
    154       3.8706      0.00000
    155       3.8979      0.00000
    156       3.9960      0.00000
    157       3.9978      0.00000
    158       4.0476      0.00000
    159       4.0576      0.00000
    160       4.0856      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3223      1.00000
      2     -21.7642      1.00000
      3     -21.5703      1.00000
      4     -21.5430      1.00000
      5     -21.2077      1.00000
      6     -21.1685      1.00000
      7     -20.9881      1.00000
      8     -20.1012      1.00000
      9     -20.0621      1.00000
     10     -19.5488      1.00000
     11     -19.5285      1.00000
     12     -19.3471      1.00000
     13     -19.0305      1.00000
     14     -18.9904      1.00000
     15     -18.9800      1.00000
     16     -18.9740      1.00000
     17     -18.2983      1.00000
     18     -18.2846      1.00000
     19     -17.9484      1.00000
     20     -17.0026      1.00000
     21     -16.9616      1.00000
     22     -16.8845      1.00000
     23     -16.8715      1.00000
     24     -16.4180      1.00000
     25     -16.3954      1.00000
     26     -15.5433      1.00000
     27     -15.5402      1.00000
     28     -15.1751      1.00000
     29     -15.1738      1.00000
     30     -15.1326      1.00000
     31     -15.0383      1.00000
     32     -15.0025      1.00000
     33     -14.6356      1.00000
     34     -14.6290      1.00000
     35     -13.6648      1.00000
     36     -13.6554      1.00000
     37     -13.1725      1.00000
     38     -12.5744      1.00000
     39     -12.5145      1.00000
     40     -12.3877      1.00000
     41     -12.3872      1.00000
     42     -12.0373      1.00000
     43     -12.0337      1.00000
     44     -11.6577      1.00000
     45     -11.6174      1.00000
     46     -11.2075      1.00000
     47     -11.1587      1.00000
     48     -10.9569      1.00000
     49     -10.9440      1.00000
     50     -10.8630      1.00000
     51     -10.8308      1.00000
     52     -10.6258      1.00000
     53     -10.1471      1.00000
     54     -10.0860      1.00000
     55     -10.0263      1.00000
     56      -9.9476      1.00000
     57      -9.6330      1.00000
     58      -9.6314      1.00000
     59      -9.6050      1.00000
     60      -9.5423      1.00000
     61      -9.5054      1.00000
     62      -9.4810      1.00000
     63      -9.2736      1.00000
     64      -9.2370      1.00000
     65      -9.2092      1.00000
     66      -9.1821      1.00000
     67      -9.0642      1.00000
     68      -9.0486      1.00000
     69      -9.0450      1.00000
     70      -8.8785      1.00000
     71      -8.8113      1.00000
     72      -8.5357      1.00000
     73      -8.5350      1.00000
     74      -8.4992      1.00000
     75      -8.0321      1.00000
     76      -7.8337      1.00000
     77      -7.8007      1.00000
     78      -7.7765      1.00000
     79      -7.7049      1.00000
     80      -7.6856      1.00000
     81      -7.4141      1.00000
     82      -7.2885      1.00000
     83      -7.2527      1.00000
     84      -7.2050      1.00000
     85      -7.0831      1.00000
     86      -7.0760      1.00000
     87      -6.9406      1.00000
     88      -6.7126      1.00000
     89      -6.6757      1.00000
     90      -6.6307      1.00000
     91      -6.5588      1.00000
     92      -6.0724      1.00000
     93      -6.0325      1.00000
     94      -6.0029      1.00000
     95      -5.9398      1.00000
     96      -5.8010      1.00000
     97      -5.1807      1.00000
     98      -4.8946      1.00000
     99      -4.7950      1.00000
    100      -4.6123      1.00000
    101      -4.5130      1.00000
    102      -4.1408      1.00000
    103      -4.0916      1.00000
    104      -3.9313      1.00000
    105      -3.9168      1.00000
    106      -3.8261      1.00000
    107      -1.7533      0.00000
    108      -1.6975      0.00000
    109      -1.4120      0.00000
    110      -1.3712      0.00000
    111      -1.2658      0.00000
    112      -1.2364      0.00000
    113      -0.6269      0.00000
    114      -0.5988      0.00000
    115      -0.1908      0.00000
    116       0.0400      0.00000
    117       0.5819      0.00000
    118       0.7403      0.00000
    119       0.8481      0.00000
    120       0.9273      0.00000
    121       1.1669      0.00000
    122       1.2099      0.00000
    123       1.2443      0.00000
    124       1.4171      0.00000
    125       1.5959      0.00000
    126       1.6344      0.00000
    127       1.7028      0.00000
    128       1.8000      0.00000
    129       1.9209      0.00000
    130       1.9387      0.00000
    131       2.1435      0.00000
    132       2.1712      0.00000
    133       2.2592      0.00000
    134       2.2990      0.00000
    135       2.5397      0.00000
    136       2.5569      0.00000
    137       2.6292      0.00000
    138       2.7586      0.00000
    139       2.8057      0.00000
    140       2.8395      0.00000
    141       2.8928      0.00000
    142       2.9346      0.00000
    143       3.0108      0.00000
    144       3.0263      0.00000
    145       3.0859      0.00000
    146       3.3050      0.00000
    147       3.3633      0.00000
    148       3.4118      0.00000
    149       3.4754      0.00000
    150       3.6021      0.00000
    151       3.6555      0.00000
    152       3.6606      0.00000
    153       3.6772      0.00000
    154       3.8880      0.00000
    155       3.9726      0.00000
    156       4.0188      0.00000
    157       4.0712      0.00000
    158       4.2342      0.00000
    159       4.2548      0.00000
    160       4.2611      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1437      1.00000
      2     -22.0507      1.00000
      3     -21.8886      1.00000
      4     -21.3380      1.00000
      5     -20.9793      1.00000
      6     -20.9497      1.00000
      7     -20.4305      1.00000
      8     -20.3985      1.00000
      9     -20.2183      1.00000
     10     -20.2166      1.00000
     11     -19.8903      1.00000
     12     -19.8265      1.00000
     13     -18.8200      1.00000
     14     -18.7493      1.00000
     15     -18.2685      1.00000
     16     -18.2536      1.00000
     17     -18.0825      1.00000
     18     -18.0759      1.00000
     19     -17.7485      1.00000
     20     -17.7319      1.00000
     21     -17.1968      1.00000
     22     -17.1736      1.00000
     23     -17.0908      1.00000
     24     -17.0704      1.00000
     25     -16.0559      1.00000
     26     -15.8112      1.00000
     27     -15.8016      1.00000
     28     -15.7796      1.00000
     29     -15.1613      1.00000
     30     -14.4880      1.00000
     31     -14.4666      1.00000
     32     -14.2064      1.00000
     33     -13.9178      1.00000
     34     -13.8886      1.00000
     35     -13.7603      1.00000
     36     -13.7407      1.00000
     37     -13.5389      1.00000
     38     -13.5122      1.00000
     39     -13.3039      1.00000
     40     -12.5787      1.00000
     41     -12.1038      1.00000
     42     -12.0789      1.00000
     43     -12.0014      1.00000
     44     -11.9536      1.00000
     45     -11.6068      1.00000
     46     -11.5993      1.00000
     47     -11.0861      1.00000
     48     -11.0633      1.00000
     49     -10.7345      1.00000
     50     -10.6672      1.00000
     51     -10.5594      1.00000
     52     -10.1415      1.00000
     53     -10.1371      1.00000
     54     -10.1028      1.00000
     55      -9.9674      1.00000
     56      -9.9274      1.00000
     57      -9.9236      1.00000
     58      -9.7524      1.00000
     59      -9.7309      1.00000
     60      -9.6991      1.00000
     61      -9.6964      1.00000
     62      -9.4015      1.00000
     63      -9.3918      1.00000
     64      -9.0695      1.00000
     65      -8.9837      1.00000
     66      -8.9834      1.00000
     67      -8.9081      1.00000
     68      -8.8142      1.00000
     69      -8.6510      1.00000
     70      -8.6356      1.00000
     71      -8.5476      1.00000
     72      -8.5044      1.00000
     73      -8.4854      1.00000
     74      -8.3962      1.00000
     75      -8.3845      1.00000
     76      -8.2115      1.00000
     77      -8.1027      1.00000
     78      -8.0087      1.00000
     79      -7.9027      1.00000
     80      -7.8440      1.00000
     81      -7.6228      1.00000
     82      -7.5346      1.00000
     83      -7.4597      1.00000
     84      -7.2528      1.00000
     85      -6.9432      1.00000
     86      -6.8702      1.00000
     87      -6.8109      1.00000
     88      -6.4793      1.00000
     89      -6.4712      1.00000
     90      -6.4116      1.00000
     91      -6.3615      1.00000
     92      -6.1901      1.00000
     93      -5.8595      1.00000
     94      -5.7391      1.00000
     95      -5.7127      1.00000
     96      -5.5248      1.00000
     97      -5.3302      1.00000
     98      -5.1739      1.00000
     99      -5.1687      1.00000
    100      -5.1353      1.00000
    101      -4.6970      1.00000
    102      -4.3486      1.00000
    103      -4.2790      1.00000
    104      -4.0286      1.00000
    105      -3.8283      1.00000
    106      -3.2340      1.00000
    107      -2.4068      0.00000
    108      -1.3472      0.00000
    109      -1.2439      0.00000
    110      -1.1550      0.00000
    111      -1.1095      0.00000
    112      -0.5851      0.00000
    113      -0.5216      0.00000
    114      -0.4349      0.00000
    115      -0.2758      0.00000
    116      -0.0722      0.00000
    117      -0.0120      0.00000
    118       0.0591      0.00000
    119       0.5824      0.00000
    120       0.7094      0.00000
    121       0.8075      0.00000
    122       0.9402      0.00000
    123       1.1798      0.00000
    124       1.5071      0.00000
    125       1.6162      0.00000
    126       1.8557      0.00000
    127       2.0027      0.00000
    128       2.0481      0.00000
    129       2.1100      0.00000
    130       2.1448      0.00000
    131       2.2585      0.00000
    132       2.2839      0.00000
    133       2.3465      0.00000
    134       2.4536      0.00000
    135       2.6064      0.00000
    136       2.6991      0.00000
    137       2.8168      0.00000
    138       2.9144      0.00000
    139       2.9416      0.00000
    140       3.0135      0.00000
    141       3.0455      0.00000
    142       3.1556      0.00000
    143       3.1576      0.00000
    144       3.2233      0.00000
    145       3.2981      0.00000
    146       3.3074      0.00000
    147       3.3518      0.00000
    148       3.3718      0.00000
    149       3.4149      0.00000
    150       3.4400      0.00000
    151       3.5567      0.00000
    152       3.6081      0.00000
    153       3.6947      0.00000
    154       3.7163      0.00000
    155       3.8450      0.00000
    156       3.9020      0.00000
    157       3.9302      0.00000
    158       3.9581      0.00000
    159       4.1456      0.00000
    160       4.1797      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2163      1.00000
      2     -22.0111      1.00000
      3     -21.6491      1.00000
      4     -21.6176      1.00000
      5     -20.9127      1.00000
      6     -20.8717      1.00000
      7     -20.5419      1.00000
      8     -20.5092      1.00000
      9     -20.5023      1.00000
     10     -19.9649      1.00000
     11     -19.4436      1.00000
     12     -19.4214      1.00000
     13     -19.2427      1.00000
     14     -19.2353      1.00000
     15     -18.3786      1.00000
     16     -18.3433      1.00000
     17     -17.8613      1.00000
     18     -17.8450      1.00000
     19     -17.6938      1.00000
     20     -17.6576      1.00000
     21     -17.3746      1.00000
     22     -17.3601      1.00000
     23     -17.2694      1.00000
     24     -16.4156      1.00000
     25     -16.3923      1.00000
     26     -15.9067      1.00000
     27     -15.3461      1.00000
     28     -15.3414      1.00000
     29     -15.0336      1.00000
     30     -15.0241      1.00000
     31     -14.7786      1.00000
     32     -14.7766      1.00000
     33     -14.2395      1.00000
     34     -14.1886      1.00000
     35     -13.3894      1.00000
     36     -13.3348      1.00000
     37     -13.1133      1.00000
     38     -13.1056      1.00000
     39     -12.9203      1.00000
     40     -12.9145      1.00000
     41     -12.5475      1.00000
     42     -12.5402      1.00000
     43     -12.1350      1.00000
     44     -11.5167      1.00000
     45     -11.4722      1.00000
     46     -11.2475      1.00000
     47     -11.2160      1.00000
     48     -11.0875      1.00000
     49     -10.7055      1.00000
     50     -10.5974      1.00000
     51     -10.5111      1.00000
     52     -10.2534      1.00000
     53     -10.2496      1.00000
     54     -10.1233      1.00000
     55     -10.0561      1.00000
     56     -10.0413      1.00000
     57      -9.7856      1.00000
     58      -9.6889      1.00000
     59      -9.6757      1.00000
     60      -9.6393      1.00000
     61      -9.6300      1.00000
     62      -9.5879      1.00000
     63      -9.2973      1.00000
     64      -9.2854      1.00000
     65      -9.2558      1.00000
     66      -9.0646      1.00000
     67      -8.8967      1.00000
     68      -8.8861      1.00000
     69      -8.7204      1.00000
     70      -8.5816      1.00000
     71      -8.5287      1.00000
     72      -8.3523      1.00000
     73      -8.3066      1.00000
     74      -8.2460      1.00000
     75      -8.2403      1.00000
     76      -8.1965      1.00000
     77      -8.1840      1.00000
     78      -8.1717      1.00000
     79      -8.1066      1.00000
     80      -7.6912      1.00000
     81      -7.4183      1.00000
     82      -7.3442      1.00000
     83      -7.2597      1.00000
     84      -7.1699      1.00000
     85      -7.1121      1.00000
     86      -7.0054      1.00000
     87      -6.9057      1.00000
     88      -6.8489      1.00000
     89      -6.5446      1.00000
     90      -6.4994      1.00000
     91      -6.2122      1.00000
     92      -6.2041      1.00000
     93      -5.8964      1.00000
     94      -5.6748      1.00000
     95      -5.6083      1.00000
     96      -5.5820      1.00000
     97      -5.2549      1.00000
     98      -5.2330      1.00000
     99      -5.1661      1.00000
    100      -5.1358      1.00000
    101      -4.5997      1.00000
    102      -4.2491      1.00000
    103      -4.0452      1.00000
    104      -3.8858      1.00000
    105      -3.8407      1.00000
    106      -3.8012      1.00000
    107      -1.8092      0.00000
    108      -1.7823      0.00000
    109      -1.2274      0.00000
    110      -1.1754      0.00000
    111      -0.9750      0.00000
    112      -0.7362      0.00000
    113      -0.6504      0.00000
    114      -0.5950      0.00000
    115      -0.5502      0.00000
    116      -0.1559      0.00000
    117       0.1759      0.00000
    118       0.2874      0.00000
    119       0.7035      0.00000
    120       0.9459      0.00000
    121       1.1684      0.00000
    122       1.2765      0.00000
    123       1.3418      0.00000
    124       1.5089      0.00000
    125       1.6063      0.00000
    126       1.6264      0.00000
    127       1.6902      0.00000
    128       1.7712      0.00000
    129       1.8576      0.00000
    130       2.0721      0.00000
    131       2.1610      0.00000
    132       2.3134      0.00000
    133       2.3911      0.00000
    134       2.4211      0.00000
    135       2.5515      0.00000
    136       2.6226      0.00000
    137       2.6859      0.00000
    138       2.7393      0.00000
    139       2.8066      0.00000
    140       2.9055      0.00000
    141       3.0505      0.00000
    142       3.0598      0.00000
    143       3.1792      0.00000
    144       3.2785      0.00000
    145       3.3772      0.00000
    146       3.4104      0.00000
    147       3.4571      0.00000
    148       3.5454      0.00000
    149       3.5723      0.00000
    150       3.6321      0.00000
    151       3.6611      0.00000
    152       3.7007      0.00000
    153       3.7802      0.00000
    154       3.7923      0.00000
    155       3.8214      0.00000
    156       3.8908      0.00000
    157       3.9024      0.00000
    158       3.9708      0.00000
    159       4.1878      0.00000
    160       4.2252      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0393   -7.2570    3.9825   -1.1314   -0.1847   17.3722    0.4917   -0.8147    0.7707   -0.4762
x    -3.1265   -0.0252   -0.0207   -0.0262    0.0909   -3.0538    0.0302   -0.0243    0.0084    0.0018
x    -0.0952   -0.0029    0.0035   -0.0031    0.0021   -0.0242    0.0000    0.0000   -0.0001    0.0001
x    -0.0035   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0393    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0034    0.0000    0.0004    0.0007    0.0028   -0.0986   -0.0315    0.0618    0.0181
y     0.0232   -3.2431   -0.1788    0.1693   -2.4101   -0.6650
z   204.0393    1.7348    0.2877    0.0898   -0.0013    0.0777   -0.0019    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1048    0.0015   -0.0009   -0.0001    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0013   -0.0001    0.0001    0.0000
z    -0.0001    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  -16.7068
z     0.1401    0.2292   -0.0319    0.0573   -0.0904    0.0006
 total charge-density along one line
x   212.0000  -10.0882    5.9295   -1.9404   -0.4204   19.2920   -0.6578    0.2075    0.0659   -0.1057
x    -2.7063   -0.0090    0.0017   -0.0451    0.0968   -2.3453    0.0476   -0.0343    0.0117    0.0024
x    -0.0853   -0.0055    0.0083   -0.0079    0.0053   -0.0375    0.0000   -0.0001    0.0004   -0.0004
x    -0.0054    0.0000   -0.0002    0.0001    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  -10.0882    5.9295   -1.9404   -0.4204   19.2920   -0.6578    0.2075    0.0659   -0.1057
y    -2.7063   -0.0090    0.0017   -0.0451    0.0968   -2.3453    0.0476   -0.0343    0.0117    0.0024
y    -0.0853   -0.0055    0.0083   -0.0079    0.0053   -0.0375    0.0000   -0.0001    0.0004   -0.0004
y    -0.0054    0.0000   -0.0002    0.0001    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 -205.3007  188.8583 -170.1574  154.0939 -140.4332  126.5361 -111.0506   94.7696  -79.0934
z    64.7187  -51.7802   40.5506  -31.5115   24.8008  -19.8788   15.8746  -12.2195    8.9094   -6.2238
z     4.2946   -2.9627    1.9633   -1.1538    0.5438   -0.1594   -0.0590    0.2210   -0.3847    0.5197
z    -0.5683    0.5237   -0.4398    0.3763   -0.3481    0.3297   -0.2951    0.2450   -0.1975    0.1644
z    -0.1416    0.1197   -0.0957    0.0747   -0.0610    0.0533   -0.0468    0.0391   -0.0313    0.0258
z    -0.0227    0.0203   -0.0173    0.0141   -0.0113    0.0093   -0.0076    0.0058   -0.0043    0.0032
z    -0.0022    0.0013   -0.0004   -0.0002    0.0004   -0.0004    0.0005   -0.0008    0.0009   -0.0007
z     0.0004   -0.0002    0.0001   -0.0001    0.0000    0.0002   -0.0003    0.0003   -0.0003    0.0003
z    -0.0003    0.0003   -0.0002    0.0002   -0.0002    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001
z     0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 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
-10.940   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.268   0.000  -0.101   0.000   0.000   0.239   0.000
  0.041   0.000 -11.243   0.000  -0.024  -0.006   0.000   0.238
  0.000  -0.101   0.000 -11.151   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.937   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.238   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.226   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.199   0.000   0.000   0.000
  0.036   0.000   0.100   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.023   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.022   0.000  -0.002   0.000   0.000   0.002
  0.000   0.003   0.000  -0.026   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.940   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.268   0.000  -0.101   0.000   0.000   0.239   0.000
  0.041   0.000 -11.243   0.000  -0.024  -0.006   0.000   0.238
  0.000  -0.101   0.000 -11.151   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.937   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.238   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.226   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.199   0.000   0.000   0.000
  0.036   0.000   0.100   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.023   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.022   0.000  -0.002   0.000   0.000   0.002
  0.000   0.003   0.000  -0.026   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.960   0.000  -0.027   0.000   0.002   0.021   0.000   0.057   0.000  -0.014  -0.026   0.025   0.000  -0.001   0.000   0.000
  0.000   1.586   0.000  -0.148   0.000   0.000   0.593   0.000   0.260   0.000   0.000   0.000   0.160   0.000   0.106  -0.035
 -0.027   0.000   1.789   0.000   0.019   0.044   0.000   0.352   0.000  -0.027  -0.233  -0.043   0.000   0.096   0.000   0.000
  0.000  -0.148   0.000   1.756   0.000   0.000   0.260   0.000   0.293   0.000   0.000   0.000   0.108   0.000   0.039   0.005
  0.002   0.000   0.019   0.000   1.966  -0.014   0.000  -0.035   0.000   0.003   0.011  -0.015   0.000   0.003   0.000   0.000
  0.021   0.000   0.044   0.000  -0.014   0.063   0.000   0.101   0.000  -0.024   0.192  -0.053   0.000   0.115   0.000   0.000
  0.000   0.593   0.000   0.260   0.000   0.000   0.328   0.000   0.106   0.000   0.000   0.000   0.057   0.000   0.066  -0.011
  0.057   0.000   0.352   0.000  -0.035   0.101   0.000   0.559   0.000  -0.057   0.698  -0.291   0.000   0.087   0.000   0.000
  0.000   0.260   0.000   0.293   0.000   0.000   0.106   0.000   0.205   0.000   0.000   0.000   0.065   0.000  -0.019  -0.007
 -0.014   0.000  -0.027   0.000   0.003  -0.024   0.000  -0.057   0.000   0.036  -0.109   0.031   0.000  -0.068   0.000   0.000
 -0.026   0.000  -0.233   0.000   0.011   0.192   0.000   0.698   0.000  -0.109   1.350  -0.432   0.000   0.266   0.000   0.000
  0.025   0.000  -0.043   0.000  -0.015  -0.053   0.000  -0.291   0.000   0.031  -0.432   0.191   0.000  -0.034   0.000   0.000
  0.000   0.160   0.000   0.108   0.000   0.000   0.057   0.000   0.065   0.000   0.000   0.000   0.043   0.000   0.012  -0.004
 -0.001   0.000   0.096   0.000   0.003   0.115   0.000   0.087   0.000  -0.068   0.266  -0.034   0.000   0.308   0.000   0.000
  0.000   0.106   0.000   0.039   0.000   0.000   0.066   0.000  -0.019   0.000   0.000   0.000   0.012   0.000   0.031  -0.002
  0.000  -0.035   0.000   0.005   0.000   0.000  -0.011   0.000  -0.007   0.000   0.000   0.000  -0.004   0.000  -0.002   0.001
  0.001   0.000  -0.037   0.000  -0.001  -0.005   0.000  -0.009   0.000   0.003  -0.007   0.000   0.000  -0.014   0.000   0.000
  0.000   0.005   0.000  -0.041   0.000   0.000  -0.007   0.000  -0.004   0.000   0.000   0.000  -0.002   0.000  -0.002   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        0.638   0.276   8.026   8.940
  2        0.514   0.028   0.000   0.542
  3        0.514   0.028   0.000   0.542
  4        0.864   1.783   0.000   2.647
  5        0.864   1.783   0.000   2.646
  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   1.783   0.000   2.647
 10        0.864   1.784   0.000   2.648
 11        0.863   1.783   0.000   2.646
 12        0.864   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        0.863   1.777   0.000   2.640
 17        0.856   1.773   0.000   2.629
 18        0.864   1.784   0.000   2.648
 19        0.864   1.782   0.000   2.646
 20        0.864   1.782   0.000   2.646
 21        0.863   1.782   0.000   2.645
 22        0.863   1.776   0.000   2.640
 23        0.863   1.783   0.000   2.646
 24        0.864   1.783   0.000   2.647
 25        0.864   1.783   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   1.783   0.000   2.647
 29        0.864   1.783   0.000   2.647
 30        0.864   1.783   0.000   2.647
 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   2.646
 34        0.864   1.782   0.000   2.646
 35        0.863   1.783   0.000   2.646
 36        0.863   1.776   0.000   2.640
 37        0.863   1.782   0.000   2.645
 38        0.864   1.782   0.000   2.646
 39        0.864   1.784   0.000   2.648
 40        0.864   1.784   0.000   2.648
 41        0.856   1.773   0.000   2.629
 42        0.863   1.777   0.000   2.640
 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        0.864   1.785   0.000   2.648
 47        0.863   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   1.783   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   1.783   0.000   2.646
------------------------------------------------
tot       44.832  89.441   8.026 142.300
 


 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   91.41: CPU time   46.26
    FORLOC:  VPU time    1.10: CPU time    1.09
    FORNL :  VPU time  365.12: CPU time  182.80
    STRESS:  VPU time 1098.18: CPU time  551.69
    FORCOR:  VPU time    7.43: CPU time    7.43
    FORHAR:  VPU time    1.97: CPU time    1.97
    MIXING:  VPU time    0.13: CPU time    0.13
 d Force = 0.1347477E-04[-0.289E-04, 0.559E-04]  d Energy = 0.2330884E-04-0.983E-05
 d Force = 0.1830061E+01[ 0.183E+01, 0.183E+01]  d Ewald  =-0.2357540E+01 0.419E+01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.644867 eV

  energy  without entropy=     -471.644867  energy(sigma->0) =     -471.644867
 

  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    40735.61  40752.71 -47437.90     14.81      0.00      0.00
  Hartree  40201.39  40205.21 -39455.95      3.31      0.00      0.00
  E(xc)     -779.75   -779.55   -807.27      0.17      0.00      0.00
  Local   -83230.20 -83244.90  84211.23    -12.73      0.00      0.00
  n-local   -215.86   -215.75   -203.90     -0.16      0.00      0.00
  augment     22.10     20.53     17.37     -1.36      0.00      0.00
  Kinetic   3168.91   3171.49   3582.37     -6.23      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.08     -0.10     -0.11     -0.01      0.00      0.00
  in kB       -0.05     -0.06     -0.07     -0.01      0.00      0.00
  external pressure =       -0.06 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
    12.346948622  0.001777011  0.000000000     0.080984944  0.046741207  0.000000000
    -6.171942017 10.693655723  0.000000000    -0.000013458  0.093505623  0.000000000
     0.000000000  0.000000000 19.978508119     0.000000000  0.000000000  0.050053788

  length of vectors
    12.346948750 12.346948651 19.978508119     0.093505623  0.093505624  0.050053788


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.391E-05 -.457E-04 -.960E+03   0.432E-05 -.275E-04 0.968E+03   -.259E-20 -.342E-22 -.792E+01   -.606E-07 0.232E-07 0.484E-01
   -.175E+02 -.304E+02 -.136E+03   0.184E+02 0.318E+02 0.138E+03   -.828E+00 -.143E+01 -.258E+01   -.106E-02 -.184E-02 -.198E-02
   0.175E+02 0.304E+02 -.136E+03   -.184E+02 -.318E+02 0.138E+03   0.828E+00 0.143E+01 -.258E+01   0.106E-02 0.184E-02 -.198E-02
   -.196E+01 0.113E+01 0.170E+02   0.197E+01 -.114E+01 -.170E+02   -.873E-02 0.504E-02 -.779E-02   -.594E-03 0.340E-03 0.857E-02
   0.579E+01 0.690E+01 0.198E+02   -.580E+01 -.693E+01 -.198E+02   0.719E-02 0.332E-01 -.185E-01   0.449E-03 -.214E-02 0.828E-02
   0.112E+02 0.508E+01 0.184E+02   -.113E+02 -.509E+01 -.183E+02   0.261E-01 0.681E-02 -.540E-01   -.934E-03 -.158E-02 0.203E-02
   0.455E+01 -.100E+01 0.164E+02   -.457E+01 0.101E+01 -.164E+02   0.192E-01 -.186E-01 -.110E-02   -.142E-02 -.152E-03 -.603E-03
   -.291E+01 -.239E+01 0.150E+02   0.292E+01 0.241E+01 -.150E+02   -.158E-01 -.172E-01 -.551E-03   -.122E-02 -.467E-03 0.447E-02
   0.620E+00 0.371E+01 0.150E+02   -.625E+00 -.373E+01 -.150E+02   0.694E-02 0.223E-01 -.551E-03   -.212E-03 0.129E-02 0.446E-02
   0.273E+01 0.182E+02 0.247E+02   -.274E+01 -.183E+02 -.247E+02   0.111E-01 0.109E+00 -.359E-02   -.175E-03 0.116E-03 0.269E-02
   0.214E+02 0.226E+02 0.397E+02   -.216E+02 -.229E+02 -.396E+02   0.120E+00 0.228E+00 -.203E-01   -.148E-02 -.407E-02 -.589E-02
   0.265E+02 -.448E+01 0.269E+02   -.267E+02 0.460E+01 -.268E+02   0.236E+00 -.120E+00 -.594E-01   -.187E-02 -.206E-02 -.491E-02
   0.919E+01 -.531E+01 0.155E+02   -.921E+01 0.532E+01 -.155E+02   0.168E-01 -.969E-02 0.120E-03   -.222E-03 0.122E-03 0.170E-02
   0.314E+01 -.344E+01 0.164E+02   -.316E+01 0.345E+01 -.164E+02   0.257E-01 -.731E-02 -.110E-02   -.581E-03 0.130E-02 -.611E-03
   -.605E+01 0.132E+02 0.199E+02   0.606E+01 -.132E+02 -.199E+02   -.338E-02 0.748E-01 -.121E-01   -.326E-03 0.632E-03 -.290E-02
   -.123E+02 0.335E+02 0.459E+02   0.124E+02 -.342E+02 -.463E+02   -.883E-01 0.680E+00 0.342E+00   0.186E-02 -.412E-02 -.469E-02
   0.263E+02 -.152E+02 0.699E+02   -.273E+02 0.158E+02 -.720E+02   0.971E+00 -.561E+00 0.211E+01   -.151E-03 0.843E-04 0.233E-02
   0.171E+02 -.207E+02 0.269E+02   -.174E+02 0.209E+02 -.268E+02   0.222E+00 -.144E+00 -.594E-01   0.845E-03 0.264E-02 -.491E-02
   0.123E+01 -.123E+02 0.184E+02   -.123E+01 0.123E+02 -.183E+02   0.717E-02 -.260E-01 -.540E-01   0.901E-03 0.160E-02 0.203E-02
   -.388E+01 0.155E+01 0.144E+02   0.389E+01 -.155E+01 -.144E+02   -.555E-02 0.364E-02 -.411E-01   0.712E-03 -.120E-02 0.210E-02
   -.182E+02 0.105E+02 0.212E+02   0.182E+02 -.105E+02 -.211E+02   -.650E-01 0.375E-01 -.119E+00   0.197E-02 -.113E-02 -.151E-02
   -.351E+02 -.612E+01 0.459E+02   0.358E+02 0.638E+01 -.463E+02   -.633E+00 -.263E+00 0.342E+00   0.450E-02 0.454E-03 -.469E-02
   -.888E+01 -.299E+02 0.397E+02   0.902E+01 0.301E+02 -.396E+02   -.137E+00 -.218E+00 -.203E-01   0.279E-02 0.331E-02 -.589E-02
   -.308E+01 -.847E+01 0.198E+02   0.310E+01 0.849E+01 -.198E+02   -.252E-01 -.228E-01 -.185E-01   0.208E-02 0.681E-03 0.828E-02
   0.125E+01 -.724E+00 0.147E+02   -.125E+01 0.723E+00 -.147E+02   -.199E-02 0.115E-02 -.316E-01   0.116E-02 -.669E-03 0.647E-02
   -.329E+01 0.258E+01 0.144E+02   0.329E+01 -.259E+01 -.144E+02   -.593E-02 0.299E-02 -.411E-01   0.140E-02 -.129E-04 0.210E-02
   -.144E+02 -.134E+01 0.199E+02   0.145E+02 0.137E+01 -.199E+02   -.664E-01 -.345E-01 -.121E-01   -.709E-03 -.351E-04 -.289E-02
   -.144E+02 -.115E+02 0.247E+02   0.145E+02 0.115E+02 -.247E+02   -.889E-01 -.641E-01 -.359E-02   -.186E-03 0.886E-04 0.269E-02
   0.308E+01 0.847E+01 0.198E+02   -.310E+01 -.849E+01 -.198E+02   0.252E-01 0.228E-01 -.185E-01   -.208E-02 -.681E-03 0.828E-02
   0.144E+02 0.115E+02 0.247E+02   -.145E+02 -.115E+02 -.247E+02   0.889E-01 0.641E-01 -.359E-02   0.186E-03 -.885E-04 0.269E-02
   0.144E+02 0.134E+01 0.199E+02   -.145E+02 -.137E+01 -.199E+02   0.664E-01 0.345E-01 -.121E-01   0.709E-03 0.351E-04 -.289E-02
   0.329E+01 -.258E+01 0.144E+02   -.329E+01 0.259E+01 -.144E+02   0.593E-02 -.299E-02 -.411E-01   -.140E-02 0.129E-04 0.210E-02
   -.125E+01 0.724E+00 0.147E+02   0.125E+01 -.723E+00 -.147E+02   0.199E-02 -.115E-02 -.316E-01   -.116E-02 0.669E-03 0.647E-02
   -.123E+01 0.123E+02 0.184E+02   0.123E+01 -.123E+02 -.183E+02   -.717E-02 0.260E-01 -.540E-01   -.901E-03 -.160E-02 0.203E-02
   0.888E+01 0.299E+02 0.397E+02   -.902E+01 -.301E+02 -.396E+02   0.137E+00 0.218E+00 -.203E-01   -.279E-02 -.331E-02 -.589E-02
   0.351E+02 0.612E+01 0.459E+02   -.358E+02 -.638E+01 -.463E+02   0.633E+00 0.263E+00 0.342E+00   -.450E-02 -.454E-03 -.469E-02
   0.182E+02 -.105E+02 0.212E+02   -.182E+02 0.105E+02 -.211E+02   0.650E-01 -.375E-01 -.119E+00   -.197E-02 0.113E-02 -.151E-02
   0.388E+01 -.155E+01 0.144E+02   -.389E+01 0.155E+01 -.144E+02   0.555E-02 -.364E-02 -.411E-01   -.712E-03 0.120E-02 0.210E-02
   -.314E+01 0.344E+01 0.164E+02   0.316E+01 -.345E+01 -.164E+02   -.257E-01 0.731E-02 -.110E-02   0.582E-03 -.130E-02 -.611E-03
   -.171E+02 0.207E+02 0.269E+02   0.174E+02 -.209E+02 -.268E+02   -.222E+00 0.144E+00 -.594E-01   -.845E-03 -.264E-02 -.491E-02
   -.263E+02 0.152E+02 0.699E+02   0.273E+02 -.158E+02 -.720E+02   -.971E+00 0.561E+00 0.211E+01   0.151E-03 -.843E-04 0.233E-02
   0.123E+02 -.335E+02 0.459E+02   -.124E+02 0.342E+02 -.463E+02   0.883E-01 -.680E+00 0.342E+00   -.186E-02 0.412E-02 -.470E-02
   0.605E+01 -.132E+02 0.199E+02   -.606E+01 0.132E+02 -.199E+02   0.338E-02 -.748E-01 -.121E-01   0.326E-03 -.632E-03 -.290E-02
   -.621E+00 -.371E+01 0.150E+02   0.625E+00 0.373E+01 -.150E+02   -.694E-02 -.223E-01 -.551E-03   0.212E-03 -.129E-02 0.446E-02
   -.919E+01 0.531E+01 0.155E+02   0.921E+01 -.532E+01 -.155E+02   -.168E-01 0.969E-02 0.120E-03   0.222E-03 -.122E-03 0.170E-02
   -.265E+02 0.448E+01 0.269E+02   0.267E+02 -.460E+01 -.268E+02   -.236E+00 0.120E+00 -.594E-01   0.187E-02 0.206E-02 -.491E-02
   -.214E+02 -.226E+02 0.397E+02   0.216E+02 0.229E+02 -.396E+02   -.120E+00 -.228E+00 -.203E-01   0.148E-02 0.407E-02 -.589E-02
   -.273E+01 -.182E+02 0.247E+02   0.274E+01 0.183E+02 -.247E+02   -.111E-01 -.109E+00 -.359E-02   0.175E-03 -.116E-03 0.269E-02
   0.196E+01 -.113E+01 0.170E+02   -.197E+01 0.114E+01 -.170E+02   0.873E-02 -.504E-02 -.779E-02   0.594E-03 -.340E-03 0.857E-02
   0.291E+01 0.239E+01 0.150E+02   -.292E+01 -.241E+01 -.150E+02   0.158E-01 0.172E-01 -.551E-03   0.122E-02 0.467E-03 0.447E-02
   -.455E+01 0.100E+01 0.164E+02   0.457E+01 -.102E+01 -.164E+02   -.192E-01 0.186E-01 -.110E-02   0.142E-02 0.152E-03 -.603E-03
   -.112E+02 -.508E+01 0.184E+02   0.113E+02 0.509E+01 -.183E+02   -.261E-01 -.681E-02 -.540E-01   0.934E-03 0.158E-02 0.203E-02
   -.579E+01 -.690E+01 0.198E+02   0.580E+01 0.693E+01 -.198E+02   -.719E-02 -.332E-01 -.185E-01   -.449E-03 0.214E-02 0.828E-02
 -----------------------------------------------------------------------------------------------
   -.182E-02 0.308E-03 0.853E+01   0.127E-12 0.711E-13 0.814E-12   0.382E-16 -.222E-15 -.864E+01   -.720E-07 0.138E-07 0.818E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85291      6.06051     12.33649         0.000000      0.000000      0.014711
      2.26124      6.76776     13.65551        -0.001111     -0.001925     -0.006660
      1.44458      5.35326     13.65551         0.001111      0.001925     -0.006660
      0.00057     -0.00033      9.95798         0.000626     -0.000361     -0.005323
     11.11174      2.13935      9.95968         0.002361     -0.001317     -0.002810
      9.87626      4.27885      9.97177         0.002281     -0.007371      0.000061
      8.64311      6.41804      9.97094        -0.002218     -0.004664      0.001371
     -4.93586      8.55505      9.96635        -0.002352     -0.004346     -0.001497
      2.47013     -0.00117      9.96635         0.002588      0.004210     -0.001497
      1.23467      2.13603      9.97131         0.004728     -0.004544      0.003185
     -0.00400      4.27468     10.00044         0.007553     -0.004686     -0.001229
     -1.23828      6.41569     10.00619         0.000255     -0.003293      0.000057
     -2.46683      8.55451      9.97903        -0.004022      0.002322     -0.001776
      4.93839      0.00126      9.97094         0.002930      0.004253      0.001371
      3.70468      2.13642      9.97914         0.005082      0.002202     -0.000307
      2.47058      4.26300     10.04378         0.007040     -0.004110     -0.002674
      1.22839      6.42107     10.11418         0.009176     -0.005298      0.014530
     -0.00028      8.55997     10.00619         0.002980      0.001425      0.000057
      7.40755      0.00292      9.97177         0.007524      0.001711      0.000061
      6.17312      2.14005      9.97191         0.002808      0.002606     -0.001176
      4.94018      4.27807      9.99990        -0.002744      0.001584      0.005437
      3.71843      6.42434     10.04378         0.007079     -0.004041     -0.002674
      2.47103      8.56155     10.00044         0.007835     -0.004198     -0.001229
      9.87815      0.00271      9.95968         0.002322     -0.001386     -0.002810
      8.64232      2.14064      9.96273         0.001061     -0.000613     -0.003524
      7.40823      4.27934      9.97191        -0.000853     -0.003735     -0.001176
      6.17715      6.41888      9.97914         0.000635     -0.005502     -0.000307
      4.94248      8.55816      9.97131         0.006299     -0.001822      0.003185
     -0.00038      1.42465      9.95968        -0.002322      0.001386     -0.002810
     -1.23666      3.56285      9.97131        -0.006299      0.001822      0.003185
     -2.47133      5.70214      9.97914        -0.000635      0.005502     -0.000307
     -3.70241      7.84168      9.97191         0.000853      0.003735     -0.001176
     -4.93650      9.98038      9.96273        -0.001061      0.000613     -0.003524
      2.47021      1.42444      9.97177        -0.007524     -0.001711      0.000061
      1.23479      3.55946     10.00044        -0.007835      0.004198     -0.001229
     -0.01261      5.69668     10.04378        -0.007079      0.004041     -0.002674
     -1.23436      7.84294      9.99990         0.002744     -0.001584      0.005437
     -2.46729      9.98097      9.97191        -0.002808     -0.002606     -0.001176
      4.93938      1.42610      9.97094        -0.002930     -0.004253      0.001371
      3.70610      3.56105     10.00619        -0.002980     -0.001425      0.000057
      2.47743      5.69994     10.11418        -0.009176      0.005298      0.014530
      1.23524      7.85801     10.04378        -0.007040      0.004110     -0.002674
      0.00115      9.98460      9.97914        -0.005082     -0.002202     -0.000307
      7.40763      1.42853      9.96635        -0.002588     -0.004210     -0.001497
      6.17265      3.56651      9.97903         0.004022     -0.002322     -0.001776
      4.94410      5.70533     10.00619        -0.000255      0.003293      0.000057
      3.70982      7.84634     10.00044        -0.007553      0.004686     -0.001229
      2.47115      9.98499      9.97131        -0.004728      0.004544      0.003185
      9.87720      1.42769      9.95798        -0.000626      0.000361     -0.005323
      8.64168      3.56597      9.96635         0.002352      0.004346     -0.001497
      7.40966      5.70476      9.97094         0.002218      0.004664      0.001371
      6.17651      7.84395      9.97177        -0.002281      0.007371      0.000061
      4.94103      9.98344      9.95968        -0.002361      0.001317     -0.002810
 -----------------------------------------------------------------------------------
    total drift:                               -0.001816      0.000308     -0.028040


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




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


    WAVPRE:  VPU time    1.68: 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  152.00: CPU time   76.03
     LOOP+:  VPU time 4726.28: CPU time 2412.12


----------------------------------------- Iteration   19(   1)  ---------------------------------------


    POTLOK:  VPU time    7.93: CPU time    7.74
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1406.70: CPU time  718.84
 BZINTS: Fermi energy: -3.080321;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   91.35: CPU time   48.54
    MIXING:  VPU time    0.13: CPU time    0.12
    ------------------------------------------
      LOOP:  VPU time 1506.46: CPU time  775.57

 eigenvalue-minimisations  :  5664
 total energy-change (2. order) :-0.4716449E+03  (-0.2664937E-03)
 number of electron  212.0000030 magnetization    0.0000000
 augmentation part     7.9612767 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.62340E-03    rms(broyden)= 0.62275E-03
  rms(prec ) = 0.68472E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34049.61869893
  -1/2 Hartree   DENC   =    -40949.58751283
  -V(xc)+E(xc)   XCENC  =       726.61962268
  PAW double counting   =      4093.07377233    -4131.45140066
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.35789150
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64485744 eV

  energy without entropy =     -471.64485744  energy(sigma->0) =     -471.64485744


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




----------------------------------------- Iteration   19(   2)  ---------------------------------------


    POTLOK:  VPU time    7.73: CPU time    7.73
    SETDIJ:  VPU time    0.28: CPU time    0.29
    EDDAV :  VPU time 1261.51: CPU time  649.90
 BZINTS: Fermi energy: -3.155993;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1269.58: CPU time  657.95

 eigenvalue-minimisations  :  4160
 total energy-change (2. order) :-0.6054774E-05  (-0.5834421E-05)
 number of electron  212.0000030 magnetization    0.0000000
 augmentation part     7.9612767 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34049.61869893
  -1/2 Hartree   DENC   =    -40949.60495827
  -V(xc)+E(xc)   XCENC  =       726.61955973
  PAW double counting   =      4093.06087716    -4131.43819577
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.34069887
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64486349 eV

  energy without entropy =     -471.64486349  energy(sigma->0) =     -471.64486349


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




 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 -58.5360       2 -39.9777       3 -39.9777       4 -58.2446       5 -58.2490
       6 -58.2562       7 -58.2469       8 -58.2452       9 -58.2452      10 -58.2610
      11 -58.3160      12 -58.2928      13 -58.2500      14 -58.2469      15 -58.2578
      16 -58.4379      17 -58.7319      18 -58.2928      19 -58.2562      20 -58.2505
      21 -58.2774      22 -58.4379      23 -58.3160      24 -58.2490      25 -58.2439
      26 -58.2505      27 -58.2579      28 -58.2610      29 -58.2489      30 -58.2609
      31 -58.2577      32 -58.2504      33 -58.2438      34 -58.2561      35 -58.3159
      36 -58.4378      37 -58.2774      38 -58.2504      39 -58.2468      40 -58.2927
      41 -58.7318      42 -58.4378      43 -58.2577      44 -58.2451      45 -58.2499
      46 -58.2927      47 -58.3159      48 -58.2609      49 -58.2445      50 -58.2451
      51 -58.2468      52 -58.2561      53 -58.2489
 
 
 
 E-fermi :  -3.1560     XC(G=0):  -2.3445     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     -22.3576      1.00000
      2     -21.5378      1.00000
      3     -21.4081      1.00000
      4     -21.4071      1.00000
      5     -21.3758      1.00000
      6     -21.3667      1.00000
      7     -21.3595      1.00000
      8     -19.6471      1.00000
      9     -19.5731      1.00000
     10     -19.5660      1.00000
     11     -19.5593      1.00000
     12     -19.5412      1.00000
     13     -19.5385      1.00000
     14     -18.7288      1.00000
     15     -18.6806      1.00000
     16     -18.6727      1.00000
     17     -18.6596      1.00000
     18     -18.6443      1.00000
     19     -18.6422      1.00000
     20     -16.5861      1.00000
     21     -16.5272      1.00000
     22     -16.5248      1.00000
     23     -16.5117      1.00000
     24     -16.4873      1.00000
     25     -16.4858      1.00000
     26     -15.5593      1.00000
     27     -15.5276      1.00000
     28     -15.5267      1.00000
     29     -15.5006      1.00000
     30     -15.4949      1.00000
     31     -15.4897      1.00000
     32     -14.2066      1.00000
     33     -14.1809      1.00000
     34     -14.1685      1.00000
     35     -14.1658      1.00000
     36     -14.1604      1.00000
     37     -14.1492      1.00000
     38     -11.8836      1.00000
     39     -11.8087      1.00000
     40     -11.7926      1.00000
     41     -11.7925      1.00000
     42     -11.7888      1.00000
     43     -11.7833      1.00000
     44     -11.7055      1.00000
     45     -11.6987      1.00000
     46     -11.6733      1.00000
     47     -11.6588      1.00000
     48     -11.6581      1.00000
     49     -11.6513      1.00000
     50     -10.6736      1.00000
     51     -10.3293      1.00000
     52     -10.3217      1.00000
     53     -10.3064      1.00000
     54     -10.3045      1.00000
     55     -10.2919      1.00000
     56     -10.2788      1.00000
     57      -9.9269      1.00000
     58      -9.3736      1.00000
     59      -9.3601      1.00000
     60      -9.3010      1.00000
     61      -9.2928      1.00000
     62      -9.2860      1.00000
     63      -9.0924      1.00000
     64      -9.0554      1.00000
     65      -9.0496      1.00000
     66      -9.0273      1.00000
     67      -9.0075      1.00000
     68      -9.0016      1.00000
     69      -9.0011      1.00000
     70      -8.9959      1.00000
     71      -8.9924      1.00000
     72      -8.9725      1.00000
     73      -8.9647      1.00000
     74      -8.9550      1.00000
     75      -8.4946      1.00000
     76      -7.5141      1.00000
     77      -7.4110      1.00000
     78      -7.4102      1.00000
     79      -7.4003      1.00000
     80      -7.3835      1.00000
     81      -7.3647      1.00000
     82      -7.3411      1.00000
     83      -7.3105      1.00000
     84      -7.2693      1.00000
     85      -7.2073      1.00000
     86      -7.1808      1.00000
     87      -7.1806      1.00000
     88      -7.0751      1.00000
     89      -6.5089      1.00000
     90      -6.4616      1.00000
     91      -6.3555      1.00000
     92      -6.2942      1.00000
     93      -6.2883      1.00000
     94      -6.2873      1.00000
     95      -5.8967      1.00000
     96      -5.8857      1.00000
     97      -5.0451      1.00000
     98      -4.9367      1.00000
     99      -4.5391      1.00000
    100      -4.3412      1.00000
    101      -4.3185      1.00000
    102      -4.3176      1.00000
    103      -4.1150      1.00000
    104      -3.9116      1.00000
    105      -3.9010      1.00000
    106      -3.8310      1.00000
    107      -1.6824      0.00000
    108      -1.6675      0.00000
    109      -1.5371      0.00000
    110      -1.5349      0.00000
    111      -1.5234      0.00000
    112      -1.5093      0.00000
    113      -0.5878      0.00000
    114       0.1343      0.00000
    115       0.2067      0.00000
    116       0.3247      0.00000
    117       0.3263      0.00000
    118       0.3339      0.00000
    119       0.4944      0.00000
    120       0.5926      0.00000
    121       1.2580      0.00000
    122       1.2686      0.00000
    123       1.5226      0.00000
    124       1.7976      0.00000
    125       1.8011      0.00000
    126       1.8044      0.00000
    127       1.8089      0.00000
    128       1.9454      0.00000
    129       1.9766      0.00000
    130       2.0317      0.00000
    131       2.0457      0.00000
    132       2.0510      0.00000
    133       2.0549      0.00000
    134       2.0577      0.00000
    135       2.3020      0.00000
    136       2.3255      0.00000
    137       2.6071      0.00000
    138       2.6144      0.00000
    139       2.6421      0.00000
    140       2.7213      0.00000
    141       2.8584      0.00000
    142       3.0290      0.00000
    143       3.0570      0.00000
    144       3.0909      0.00000
    145       3.0992      0.00000
    146       3.1031      0.00000
    147       3.1041      0.00000
    148       3.2286      0.00000
    149       3.4481      0.00000
    150       3.5369      0.00000
    151       3.7898      0.00000
    152       3.9465      0.00000
    153       3.9497      0.00000
    154       3.9552      0.00000
    155       3.9604      0.00000
    156       3.9970      0.00000
    157       4.1783      0.00000
    158       4.2636      0.00000
    159       4.2855      0.00000
    160       4.2862      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3210      1.00000
      2     -21.7624      1.00000
      3     -21.5716      1.00000
      4     -21.5388      1.00000
      5     -21.2087      1.00000
      6     -21.1639      1.00000
      7     -20.9881      1.00000
      8     -20.1026      1.00000
      9     -20.0585      1.00000
     10     -19.5471      1.00000
     11     -19.5225      1.00000
     12     -19.3500      1.00000
     13     -19.0255      1.00000
     14     -18.9905      1.00000
     15     -18.9823      1.00000
     16     -18.9700      1.00000
     17     -18.2981      1.00000
     18     -18.2788      1.00000
     19     -17.9528      1.00000
     20     -17.0102      1.00000
     21     -16.9603      1.00000
     22     -16.8793      1.00000
     23     -16.8693      1.00000
     24     -16.4054      1.00000
     25     -16.3906      1.00000
     26     -15.5524      1.00000
     27     -15.5368      1.00000
     28     -15.1981      1.00000
     29     -15.1699      1.00000
     30     -15.1156      1.00000
     31     -15.0286      1.00000
     32     -15.0035      1.00000
     33     -14.6367      1.00000
     34     -14.6251      1.00000
     35     -13.6678      1.00000
     36     -13.6525      1.00000
     37     -13.1703      1.00000
     38     -12.5515      1.00000
     39     -12.5182      1.00000
     40     -12.3918      1.00000
     41     -12.3789      1.00000
     42     -12.0575      1.00000
     43     -12.0347      1.00000
     44     -11.6596      1.00000
     45     -11.6176      1.00000
     46     -11.1805      1.00000
     47     -11.1574      1.00000
     48     -10.9653      1.00000
     49     -10.9416      1.00000
     50     -10.8738      1.00000
     51     -10.8379      1.00000
     52     -10.6030      1.00000
     53     -10.0938      1.00000
     54     -10.0895      1.00000
     55     -10.0466      1.00000
     56      -9.9709      1.00000
     57      -9.6545      1.00000
     58      -9.6301      1.00000
     59      -9.5926      1.00000
     60      -9.5301      1.00000
     61      -9.5109      1.00000
     62      -9.4799      1.00000
     63      -9.2646      1.00000
     64      -9.2419      1.00000
     65      -9.2216      1.00000
     66      -9.1665      1.00000
     67      -9.0692      1.00000
     68      -9.0478      1.00000
     69      -9.0412      1.00000
     70      -8.8834      1.00000
     71      -8.8065      1.00000
     72      -8.5766      1.00000
     73      -8.5228      1.00000
     74      -8.4583      1.00000
     75      -8.0356      1.00000
     76      -7.8116      1.00000
     77      -7.8075      1.00000
     78      -7.7926      1.00000
     79      -7.7009      1.00000
     80      -7.6911      1.00000
     81      -7.3636      1.00000
     82      -7.2741      1.00000
     83      -7.2647      1.00000
     84      -7.2162      1.00000
     85      -7.1734      1.00000
     86      -7.0093      1.00000
     87      -6.9473      1.00000
     88      -6.7471      1.00000
     89      -6.6728      1.00000
     90      -6.5948      1.00000
     91      -6.5599      1.00000
     92      -6.0508      1.00000
     93      -6.0474      1.00000
     94      -6.0219      1.00000
     95      -5.9591      1.00000
     96      -5.7371      1.00000
     97      -5.1544      1.00000
     98      -4.9894      1.00000
     99      -4.7190      1.00000
    100      -4.6114      1.00000
    101      -4.4396      1.00000
    102      -4.3735      1.00000
    103      -4.1215      1.00000
    104      -3.8676      1.00000
    105      -3.8312      1.00000
    106      -3.7904      1.00000
    107      -1.7850      0.00000
    108      -1.7390      0.00000
    109      -1.3954      0.00000
    110      -1.3458      0.00000
    111      -1.2650      0.00000
    112      -1.2261      0.00000
    113      -0.7463      0.00000
    114      -0.3801      0.00000
    115      -0.2199      0.00000
    116      -0.0196      0.00000
    117       0.5877      0.00000
    118       0.7361      0.00000
    119       0.7644      0.00000
    120       1.0497      0.00000
    121       1.1414      0.00000
    122       1.2495      0.00000
    123       1.2682      0.00000
    124       1.4111      0.00000
    125       1.4767      0.00000
    126       1.5812      0.00000
    127       1.7565      0.00000
    128       1.8397      0.00000
    129       1.8971      0.00000
    130       1.9577      0.00000
    131       2.1038      0.00000
    132       2.2306      0.00000
    133       2.2473      0.00000
    134       2.2925      0.00000
    135       2.4877      0.00000
    136       2.6108      0.00000
    137       2.6381      0.00000
    138       2.7641      0.00000
    139       2.7975      0.00000
    140       2.8589      0.00000
    141       2.8679      0.00000
    142       2.8932      0.00000
    143       2.9593      0.00000
    144       3.0775      0.00000
    145       3.2788      0.00000
    146       3.3033      0.00000
    147       3.3787      0.00000
    148       3.4103      0.00000
    149       3.4658      0.00000
    150       3.5863      0.00000
    151       3.6388      0.00000
    152       3.6703      0.00000
    153       3.7084      0.00000
    154       3.9042      0.00000
    155       3.9398      0.00000
    156       3.9802      0.00000
    157       4.0817      0.00000
    158       4.2009      0.00000
    159       4.2451      0.00000
    160       4.2953      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2153      1.00000
      2     -22.0090      1.00000
      3     -21.6503      1.00000
      4     -21.6132      1.00000
      5     -20.9140      1.00000
      6     -20.8676      1.00000
      7     -20.5467      1.00000
      8     -20.5073      1.00000
      9     -20.4969      1.00000
     10     -19.9645      1.00000
     11     -19.4433      1.00000
     12     -19.4163      1.00000
     13     -19.2424      1.00000
     14     -19.2281      1.00000
     15     -18.3849      1.00000
     16     -18.3408      1.00000
     17     -17.8608      1.00000
     18     -17.8398      1.00000
     19     -17.6987      1.00000
     20     -17.6561      1.00000
     21     -17.3728      1.00000
     22     -17.3568      1.00000
     23     -17.2751      1.00000
     24     -16.4019      1.00000
     25     -16.3871      1.00000
     26     -15.8975      1.00000
     27     -15.3531      1.00000
     28     -15.3380      1.00000
     29     -15.0353      1.00000
     30     -15.0217      1.00000
     31     -14.8000      1.00000
     32     -14.7755      1.00000
     33     -14.2228      1.00000
     34     -14.1905      1.00000
     35     -13.3717      1.00000
     36     -13.3378      1.00000
     37     -13.1203      1.00000
     38     -13.1029      1.00000
     39     -12.9173      1.00000
     40     -12.9039      1.00000
     41     -12.5572      1.00000
     42     -12.5393      1.00000
     43     -12.1338      1.00000
     44     -11.5223      1.00000
     45     -11.4745      1.00000
     46     -11.2540      1.00000
     47     -11.2205      1.00000
     48     -11.0801      1.00000
     49     -10.6587      1.00000
     50     -10.5894      1.00000
     51     -10.5239      1.00000
     52     -10.2588      1.00000
     53     -10.2496      1.00000
     54     -10.1233      1.00000
     55     -10.0492      1.00000
     56     -10.0416      1.00000
     57      -9.7700      1.00000
     58      -9.7063      1.00000
     59      -9.6806      1.00000
     60      -9.6309      1.00000
     61      -9.6273      1.00000
     62      -9.5888      1.00000
     63      -9.2950      1.00000
     64      -9.2859      1.00000
     65      -9.2535      1.00000
     66      -9.0870      1.00000
     67      -8.8980      1.00000
     68      -8.8837      1.00000
     69      -8.7256      1.00000
     70      -8.5891      1.00000
     71      -8.5144      1.00000
     72      -8.3315      1.00000
     73      -8.3034      1.00000
     74      -8.2648      1.00000
     75      -8.2337      1.00000
     76      -8.1953      1.00000
     77      -8.1864      1.00000
     78      -8.1710      1.00000
     79      -8.0998      1.00000
     80      -7.6891      1.00000
     81      -7.3563      1.00000
     82      -7.3108      1.00000
     83      -7.2650      1.00000
     84      -7.1876      1.00000
     85      -7.1257      1.00000
     86      -7.0775      1.00000
     87      -6.9076      1.00000
     88      -6.8831      1.00000
     89      -6.5493      1.00000
     90      -6.4930      1.00000
     91      -6.2098      1.00000
     92      -6.0700      1.00000
     93      -5.9422      1.00000
     94      -5.7149      1.00000
     95      -5.6335      1.00000
     96      -5.4530      1.00000
     97      -5.3052      1.00000
     98      -5.2347      1.00000
     99      -5.1527      1.00000
    100      -5.1520      1.00000
    101      -4.5209      1.00000
    102      -4.4699      1.00000
    103      -4.1418      1.00000
    104      -3.8344      1.00000
    105      -3.7567      1.00000
    106      -3.6799      1.00000
    107      -1.8708      0.00000
    108      -1.8243      0.00000
    109      -1.2784      0.00000
    110      -1.0357      0.00000
    111      -1.0122      0.00000
    112      -0.7132      0.00000
    113      -0.6397      0.00000
    114      -0.5884      0.00000
    115      -0.5462      0.00000
    116      -0.2045      0.00000
    117       0.2523      0.00000
    118       0.2786      0.00000
    119       0.7571      0.00000
    120       0.9425      0.00000
    121       1.1322      0.00000
    122       1.2256      0.00000
    123       1.3182      0.00000
    124       1.4092      0.00000
    125       1.5985      0.00000
    126       1.6332      0.00000
    127       1.6975      0.00000
    128       1.8235      0.00000
    129       1.9155      0.00000
    130       2.0085      0.00000
    131       2.1105      0.00000
    132       2.3299      0.00000
    133       2.3952      0.00000
    134       2.4288      0.00000
    135       2.5368      0.00000
    136       2.6330      0.00000
    137       2.7600      0.00000
    138       2.8228      0.00000
    139       2.8303      0.00000
    140       2.8882      0.00000
    141       3.0440      0.00000
    142       3.0878      0.00000
    143       3.1826      0.00000
    144       3.2361      0.00000
    145       3.3844      0.00000
    146       3.4208      0.00000
    147       3.4805      0.00000
    148       3.5756      0.00000
    149       3.6000      0.00000
    150       3.6269      0.00000
    151       3.6496      0.00000
    152       3.7406      0.00000
    153       3.7708      0.00000
    154       3.7843      0.00000
    155       3.8107      0.00000
    156       3.8929      0.00000
    157       3.9746      0.00000
    158       4.0047      0.00000
    159       4.1741      0.00000
    160       4.2383      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2491      1.00000
      2     -21.8947      1.00000
      3     -21.8241      1.00000
      4     -21.3127      1.00000
      5     -21.2824      1.00000
      6     -20.7714      1.00000
      7     -20.7056      1.00000
      8     -20.5572      1.00000
      9     -20.0097      1.00000
     10     -20.0022      1.00000
     11     -19.6488      1.00000
     12     -19.6244      1.00000
     13     -18.9303      1.00000
     14     -18.9217      1.00000
     15     -18.5714      1.00000
     16     -18.5572      1.00000
     17     -18.3947      1.00000
     18     -17.6155      1.00000
     19     -17.5593      1.00000
     20     -17.5544      1.00000
     21     -17.5128      1.00000
     22     -17.0566      1.00000
     23     -17.0385      1.00000
     24     -16.8918      1.00000
     25     -15.9301      1.00000
     26     -15.8679      1.00000
     27     -15.5171      1.00000
     28     -15.5164      1.00000
     29     -15.2287      1.00000
     30     -14.7953      1.00000
     31     -14.7677      1.00000
     32     -14.5157      1.00000
     33     -14.4718      1.00000
     34     -14.1019      1.00000
     35     -14.0911      1.00000
     36     -13.0768      1.00000
     37     -13.0339      1.00000
     38     -12.9674      1.00000
     39     -12.9552      1.00000
     40     -12.6458      1.00000
     41     -12.6392      1.00000
     42     -12.2747      1.00000
     43     -12.2434      1.00000
     44     -11.5873      1.00000
     45     -11.5606      1.00000
     46     -11.5068      1.00000
     47     -10.9043      1.00000
     48     -10.8515      1.00000
     49     -10.6209      1.00000
     50     -10.5598      1.00000
     51     -10.4857      1.00000
     52     -10.4340      1.00000
     53     -10.4244      1.00000
     54     -10.3715      1.00000
     55     -10.2946      1.00000
     56     -10.0656      1.00000
     57      -9.8341      1.00000
     58      -9.5489      1.00000
     59      -9.4891      1.00000
     60      -9.4702      1.00000
     61      -9.3465      1.00000
     62      -9.3311      1.00000
     63      -9.3111      1.00000
     64      -9.3092      1.00000
     65      -9.2151      1.00000
     66      -9.1119      1.00000
     67      -9.0806      1.00000
     68      -9.0498      1.00000
     69      -8.8475      1.00000
     70      -8.7930      1.00000
     71      -8.7744      1.00000
     72      -8.5279      1.00000
     73      -8.4757      1.00000
     74      -8.2214      1.00000
     75      -8.1099      1.00000
     76      -8.0997      1.00000
     77      -7.8077      1.00000
     78      -7.7845      1.00000
     79      -7.7821      1.00000
     80      -7.6738      1.00000
     81      -7.6321      1.00000
     82      -7.6304      1.00000
     83      -7.4012      1.00000
     84      -7.3254      1.00000
     85      -7.1998      1.00000
     86      -6.8395      1.00000
     87      -6.8294      1.00000
     88      -6.6620      1.00000
     89      -6.5392      1.00000
     90      -6.3449      1.00000
     91      -6.3079      1.00000
     92      -6.1845      1.00000
     93      -6.1473      1.00000
     94      -5.9781      1.00000
     95      -5.5727      1.00000
     96      -5.4266      1.00000
     97      -5.2593      1.00000
     98      -5.2487      1.00000
     99      -5.1495      1.00000
    100      -4.6958      1.00000
    101      -4.6652      1.00000
    102      -4.3487      1.00000
    103      -4.3142      1.00000
    104      -3.9633      1.00000
    105      -3.8274      1.00000
    106      -3.3900      1.00000
    107      -2.2201      0.00000
    108      -1.3766      0.00000
    109      -1.2873      0.00000
    110      -1.1735      0.00000
    111      -1.0785      0.00000
    112      -0.8940      0.00000
    113      -0.7685      0.00000
    114      -0.7574      0.00000
    115      -0.2206      0.00000
    116       0.1139      0.00000
    117       0.2638      0.00000
    118       0.3458      0.00000
    119       0.7311      0.00000
    120       0.9047      0.00000
    121       0.9713      0.00000
    122       1.0918      0.00000
    123       1.2034      0.00000
    124       1.5280      0.00000
    125       1.5600      0.00000
    126       1.7111      0.00000
    127       1.8376      0.00000
    128       1.8619      0.00000
    129       1.9696      0.00000
    130       1.9932      0.00000
    131       2.1603      0.00000
    132       2.2640      0.00000
    133       2.4537      0.00000
    134       2.4694      0.00000
    135       2.5103      0.00000
    136       2.6662      0.00000
    137       2.6854      0.00000
    138       2.7289      0.00000
    139       2.7445      0.00000
    140       2.8894      0.00000
    141       3.0199      0.00000
    142       3.0826      0.00000
    143       3.1973      0.00000
    144       3.2565      0.00000
    145       3.2585      0.00000
    146       3.2670      0.00000
    147       3.3597      0.00000
    148       3.4800      0.00000
    149       3.5252      0.00000
    150       3.6946      0.00000
    151       3.7501      0.00000
    152       3.7705      0.00000
    153       3.8362      0.00000
    154       3.8758      0.00000
    155       3.9404      0.00000
    156       3.9855      0.00000
    157       4.0254      0.00000
    158       4.0490      0.00000
    159       4.0567      0.00000
    160       4.0863      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1431      1.00000
      2     -22.0479      1.00000
      3     -21.8877      1.00000
      4     -21.3357      1.00000
      5     -20.9827      1.00000
      6     -20.9443      1.00000
      7     -20.4343      1.00000
      8     -20.3918      1.00000
      9     -20.2275      1.00000
     10     -20.2062      1.00000
     11     -19.8900      1.00000
     12     -19.8224      1.00000
     13     -18.8157      1.00000
     14     -18.7446      1.00000
     15     -18.2906      1.00000
     16     -18.2375      1.00000
     17     -18.0866      1.00000
     18     -18.0666      1.00000
     19     -17.7622      1.00000
     20     -17.7201      1.00000
     21     -17.1895      1.00000
     22     -17.1706      1.00000
     23     -17.1003      1.00000
     24     -17.0645      1.00000
     25     -16.0390      1.00000
     26     -15.8236      1.00000
     27     -15.8007      1.00000
     28     -15.7650      1.00000
     29     -15.1742      1.00000
     30     -14.4917      1.00000
     31     -14.4591      1.00000
     32     -14.2182      1.00000
     33     -13.8960      1.00000
     34     -13.8908      1.00000
     35     -13.7566      1.00000
     36     -13.7364      1.00000
     37     -13.5520      1.00000
     38     -13.5038      1.00000
     39     -13.3011      1.00000
     40     -12.5654      1.00000
     41     -12.1253      1.00000
     42     -12.0667      1.00000
     43     -12.0106      1.00000
     44     -11.9523      1.00000
     45     -11.6115      1.00000
     46     -11.5887      1.00000
     47     -11.0852      1.00000
     48     -11.0524      1.00000
     49     -10.7529      1.00000
     50     -10.6645      1.00000
     51     -10.5264      1.00000
     52     -10.1495      1.00000
     53     -10.1390      1.00000
     54     -10.0971      1.00000
     55      -9.9538      1.00000
     56      -9.9484      1.00000
     57      -9.9181      1.00000
     58      -9.7379      1.00000
     59      -9.7322      1.00000
     60      -9.7011      1.00000
     61      -9.6914      1.00000
     62      -9.4287      1.00000
     63      -9.3637      1.00000
     64      -9.0858      1.00000
     65      -9.0075      1.00000
     66      -8.9751      1.00000
     67      -8.8882      1.00000
     68      -8.8123      1.00000
     69      -8.6584      1.00000
     70      -8.6358      1.00000
     71      -8.5778      1.00000
     72      -8.4786      1.00000
     73      -8.4678      1.00000
     74      -8.3985      1.00000
     75      -8.3948      1.00000
     76      -8.1848      1.00000
     77      -8.1141      1.00000
     78      -7.9781      1.00000
     79      -7.9151      1.00000
     80      -7.8476      1.00000
     81      -7.6178      1.00000
     82      -7.5308      1.00000
     83      -7.4691      1.00000
     84      -7.2561      1.00000
     85      -6.9351      1.00000
     86      -6.8581      1.00000
     87      -6.8118      1.00000
     88      -6.5743      1.00000
     89      -6.4668      1.00000
     90      -6.4207      1.00000
     91      -6.3573      1.00000
     92      -6.0522      1.00000
     93      -5.8779      1.00000
     94      -5.7535      1.00000
     95      -5.7223      1.00000
     96      -5.4771      1.00000
     97      -5.3463      1.00000
     98      -5.1808      1.00000
     99      -5.1567      1.00000
    100      -5.1550      1.00000
    101      -4.7073      1.00000
    102      -4.4401      1.00000
    103      -4.2541      1.00000
    104      -3.9946      1.00000
    105      -3.8263      1.00000
    106      -3.1565      1.00000
    107      -2.4632      0.00000
    108      -1.3798      0.00000
    109      -1.2408      0.00000
    110      -1.1464      0.00000
    111      -1.1148      0.00000
    112      -0.5649      0.00000
    113      -0.4347      0.00000
    114      -0.4302      0.00000
    115      -0.3099      0.00000
    116      -0.1908      0.00000
    117       0.0618      0.00000
    118       0.1162      0.00000
    119       0.5404      0.00000
    120       0.6837      0.00000
    121       0.8684      0.00000
    122       0.9642      0.00000
    123       1.1074      0.00000
    124       1.4927      0.00000
    125       1.6587      0.00000
    126       1.7979      0.00000
    127       1.8712      0.00000
    128       2.0892      0.00000
    129       2.1456      0.00000
    130       2.1947      0.00000
    131       2.2156      0.00000
    132       2.3399      0.00000
    133       2.3641      0.00000
    134       2.4859      0.00000
    135       2.5799      0.00000
    136       2.6664      0.00000
    137       2.8779      0.00000
    138       2.9372      0.00000
    139       2.9635      0.00000
    140       2.9965      0.00000
    141       3.0396      0.00000
    142       3.1480      0.00000
    143       3.1859      0.00000
    144       3.2453      0.00000
    145       3.2877      0.00000
    146       3.3311      0.00000
    147       3.3488      0.00000
    148       3.3782      0.00000
    149       3.4079      0.00000
    150       3.4936      0.00000
    151       3.5476      0.00000
    152       3.6301      0.00000
    153       3.6966      0.00000
    154       3.7072      0.00000
    155       3.7265      0.00000
    156       3.9181      0.00000
    157       3.9374      0.00000
    158       4.0538      0.00000
    159       4.0846      0.00000
    160       4.1973      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2489      1.00000
      2     -21.8962      1.00000
      3     -21.8226      1.00000
      4     -21.3173      1.00000
      5     -21.2785      1.00000
      6     -20.7725      1.00000
      7     -20.7035      1.00000
      8     -20.5555      1.00000
      9     -20.0238      1.00000
     10     -19.9914      1.00000
     11     -19.6512      1.00000
     12     -19.6202      1.00000
     13     -18.9443      1.00000
     14     -18.9095      1.00000
     15     -18.5847      1.00000
     16     -18.5476      1.00000
     17     -18.3929      1.00000
     18     -17.6026      1.00000
     19     -17.5713      1.00000
     20     -17.5419      1.00000
     21     -17.5091      1.00000
     22     -17.0750      1.00000
     23     -17.0284      1.00000
     24     -16.9007      1.00000
     25     -15.9460      1.00000
     26     -15.8522      1.00000
     27     -15.5339      1.00000
     28     -15.5074      1.00000
     29     -15.2100      1.00000
     30     -14.8143      1.00000
     31     -14.7622      1.00000
     32     -14.5100      1.00000
     33     -14.4683      1.00000
     34     -14.0970      1.00000
     35     -14.0938      1.00000
     36     -13.1051      1.00000
     37     -13.0303      1.00000
     38     -12.9570      1.00000
     39     -12.9501      1.00000
     40     -12.6561      1.00000
     41     -12.6278      1.00000
     42     -12.2750      1.00000
     43     -12.2479      1.00000
     44     -11.5735      1.00000
     45     -11.5541      1.00000
     46     -11.5014      1.00000
     47     -10.8784      1.00000
     48     -10.8694      1.00000
     49     -10.6812      1.00000
     50     -10.5254      1.00000
     51     -10.5209      1.00000
     52     -10.4343      1.00000
     53     -10.4166      1.00000
     54     -10.3705      1.00000
     55     -10.2884      1.00000
     56     -10.0613      1.00000
     57      -9.8329      1.00000
     58      -9.5589      1.00000
     59      -9.4849      1.00000
     60      -9.4442      1.00000
     61      -9.3564      1.00000
     62      -9.3395      1.00000
     63      -9.3082      1.00000
     64      -9.3030      1.00000
     65      -9.2069      1.00000
     66      -9.0999      1.00000
     67      -9.0689      1.00000
     68      -9.0498      1.00000
     69      -8.8504      1.00000
     70      -8.7975      1.00000
     71      -8.7782      1.00000
     72      -8.5276      1.00000
     73      -8.4971      1.00000
     74      -8.2262      1.00000
     75      -8.1301      1.00000
     76      -8.0931      1.00000
     77      -7.8066      1.00000
     78      -7.7678      1.00000
     79      -7.7404      1.00000
     80      -7.7030      1.00000
     81      -7.6352      1.00000
     82      -7.6253      1.00000
     83      -7.3882      1.00000
     84      -7.3448      1.00000
     85      -7.2193      1.00000
     86      -6.8438      1.00000
     87      -6.8209      1.00000
     88      -6.6399      1.00000
     89      -6.5299      1.00000
     90      -6.3413      1.00000
     91      -6.2733      1.00000
     92      -6.1959      1.00000
     93      -6.1323      1.00000
     94      -6.0214      1.00000
     95      -5.6364      1.00000
     96      -5.5090      1.00000
     97      -5.2982      1.00000
     98      -5.1564      1.00000
     99      -5.0404      1.00000
    100      -4.7260      1.00000
    101      -4.6858      1.00000
    102      -4.3676      1.00000
    103      -4.1839      1.00000
    104      -4.0077      1.00000
    105      -3.8258      1.00000
    106      -3.4842      1.00000
    107      -2.1648      0.00000
    108      -1.3841      0.00000
    109      -1.2355      0.00000
    110      -1.1853      0.00000
    111      -1.0145      0.00000
    112      -0.9555      0.00000
    113      -0.7975      0.00000
    114      -0.7525      0.00000
    115      -0.3675      0.00000
    116       0.2455      0.00000
    117       0.2765      0.00000
    118       0.3639      0.00000
    119       0.6970      0.00000
    120       0.8685      0.00000
    121       0.9656      0.00000
    122       1.1231      0.00000
    123       1.2325      0.00000
    124       1.4535      0.00000
    125       1.5515      0.00000
    126       1.7808      0.00000
    127       1.8504      0.00000
    128       1.8840      0.00000
    129       1.9821      0.00000
    130       2.0281      0.00000
    131       2.1982      0.00000
    132       2.2077      0.00000
    133       2.3993      0.00000
    134       2.4594      0.00000
    135       2.5550      0.00000
    136       2.6578      0.00000
    137       2.6846      0.00000
    138       2.7260      0.00000
    139       2.7680      0.00000
    140       2.8495      0.00000
    141       2.9627      0.00000
    142       3.0804      0.00000
    143       3.1929      0.00000
    144       3.2397      0.00000
    145       3.2569      0.00000
    146       3.2958      0.00000
    147       3.3337      0.00000
    148       3.4787      0.00000
    149       3.5058      0.00000
    150       3.7088      0.00000
    151       3.7201      0.00000
    152       3.7707      0.00000
    153       3.8586      0.00000
    154       3.8731      0.00000
    155       3.8996      0.00000
    156       3.9964      0.00000
    157       4.0036      0.00000
    158       4.0541      0.00000
    159       4.0652      0.00000
    160       4.0865      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3209      1.00000
      2     -21.7627      1.00000
      3     -21.5689      1.00000
      4     -21.5417      1.00000
      5     -21.2062      1.00000
      6     -21.1671      1.00000
      7     -20.9867      1.00000
      8     -20.0997      1.00000
      9     -20.0607      1.00000
     10     -19.5474      1.00000
     11     -19.5271      1.00000
     12     -19.3457      1.00000
     13     -19.0291      1.00000
     14     -18.9891      1.00000
     15     -18.9785      1.00000
     16     -18.9726      1.00000
     17     -18.2969      1.00000
     18     -18.2832      1.00000
     19     -17.9470      1.00000
     20     -17.0011      1.00000
     21     -16.9603      1.00000
     22     -16.8833      1.00000
     23     -16.8702      1.00000
     24     -16.4166      1.00000
     25     -16.3941      1.00000
     26     -15.5418      1.00000
     27     -15.5386      1.00000
     28     -15.1736      1.00000
     29     -15.1723      1.00000
     30     -15.1315      1.00000
     31     -15.0371      1.00000
     32     -15.0013      1.00000
     33     -14.6341      1.00000
     34     -14.6275      1.00000
     35     -13.6634      1.00000
     36     -13.6539      1.00000
     37     -13.1713      1.00000
     38     -12.5733      1.00000
     39     -12.5133      1.00000
     40     -12.3863      1.00000
     41     -12.3859      1.00000
     42     -12.0358      1.00000
     43     -12.0321      1.00000
     44     -11.6560      1.00000
     45     -11.6157      1.00000
     46     -11.2065      1.00000
     47     -11.1573      1.00000
     48     -10.9556      1.00000
     49     -10.9427      1.00000
     50     -10.8614      1.00000
     51     -10.8292      1.00000
     52     -10.6251      1.00000
     53     -10.1463      1.00000
     54     -10.0848      1.00000
     55     -10.0253      1.00000
     56      -9.9466      1.00000
     57      -9.6317      1.00000
     58      -9.6299      1.00000
     59      -9.6040      1.00000
     60      -9.5411      1.00000
     61      -9.5040      1.00000
     62      -9.4798      1.00000
     63      -9.2728      1.00000
     64      -9.2357      1.00000
     65      -9.2079      1.00000
     66      -9.1804      1.00000
     67      -9.0632      1.00000
     68      -9.0473      1.00000
     69      -9.0438      1.00000
     70      -8.8777      1.00000
     71      -8.8096      1.00000
     72      -8.5351      1.00000
     73      -8.5333      1.00000
     74      -8.4993      1.00000
     75      -8.0310      1.00000
     76      -7.8324      1.00000
     77      -7.8002      1.00000
     78      -7.7752      1.00000
     79      -7.7037      1.00000
     80      -7.6843      1.00000
     81      -7.4136      1.00000
     82      -7.2876      1.00000
     83      -7.2514      1.00000
     84      -7.2042      1.00000
     85      -7.0823      1.00000
     86      -7.0754      1.00000
     87      -6.9389      1.00000
     88      -6.7118      1.00000
     89      -6.6748      1.00000
     90      -6.6298      1.00000
     91      -6.5579      1.00000
     92      -6.0715      1.00000
     93      -6.0317      1.00000
     94      -6.0017      1.00000
     95      -5.9383      1.00000
     96      -5.8003      1.00000
     97      -5.1803      1.00000
     98      -4.8942      1.00000
     99      -4.7942      1.00000
    100      -4.6114      1.00000
    101      -4.5124      1.00000
    102      -4.1400      1.00000
    103      -4.0907      1.00000
    104      -3.9305      1.00000
    105      -3.9158      1.00000
    106      -3.8250      1.00000
    107      -1.7523      0.00000
    108      -1.6964      0.00000
    109      -1.4110      0.00000
    110      -1.3707      0.00000
    111      -1.2649      0.00000
    112      -1.2357      0.00000
    113      -0.6257      0.00000
    114      -0.5982      0.00000
    115      -0.1900      0.00000
    116       0.0411      0.00000
    117       0.5813      0.00000
    118       0.7407      0.00000
    119       0.8491      0.00000
    120       0.9277      0.00000
    121       1.1677      0.00000
    122       1.2099      0.00000
    123       1.2447      0.00000
    124       1.4155      0.00000
    125       1.5965      0.00000
    126       1.6346      0.00000
    127       1.7018      0.00000
    128       1.8066      0.00000
    129       1.9228      0.00000
    130       1.9397      0.00000
    131       2.1446      0.00000
    132       2.1699      0.00000
    133       2.2597      0.00000
    134       2.2981      0.00000
    135       2.5395      0.00000
    136       2.5546      0.00000
    137       2.6407      0.00000
    138       2.7591      0.00000
    139       2.8094      0.00000
    140       2.8496      0.00000
    141       2.8937      0.00000
    142       2.9449      0.00000
    143       3.0102      0.00000
    144       3.0246      0.00000
    145       3.0833      0.00000
    146       3.3079      0.00000
    147       3.3728      0.00000
    148       3.4229      0.00000
    149       3.4778      0.00000
    150       3.6064      0.00000
    151       3.6572      0.00000
    152       3.6692      0.00000
    153       3.6797      0.00000
    154       3.8895      0.00000
    155       3.9762      0.00000
    156       4.0232      0.00000
    157       4.0708      0.00000
    158       4.2363      0.00000
    159       4.2561      0.00000
    160       4.2634      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1422      1.00000
      2     -22.0493      1.00000
      3     -21.8872      1.00000
      4     -21.3366      1.00000
      5     -20.9779      1.00000
      6     -20.9483      1.00000
      7     -20.4291      1.00000
      8     -20.3971      1.00000
      9     -20.2171      1.00000
     10     -20.2151      1.00000
     11     -19.8889      1.00000
     12     -19.8251      1.00000
     13     -18.8187      1.00000
     14     -18.7479      1.00000
     15     -18.2669      1.00000
     16     -18.2523      1.00000
     17     -18.0812      1.00000
     18     -18.0744      1.00000
     19     -17.7469      1.00000
     20     -17.7308      1.00000
     21     -17.1956      1.00000
     22     -17.1722      1.00000
     23     -17.0894      1.00000
     24     -17.0690      1.00000
     25     -16.0548      1.00000
     26     -15.8096      1.00000
     27     -15.8000      1.00000
     28     -15.7783      1.00000
     29     -15.1598      1.00000
     30     -14.4865      1.00000
     31     -14.4652      1.00000
     32     -14.2048      1.00000
     33     -13.9168      1.00000
     34     -13.8873      1.00000
     35     -13.7593      1.00000
     36     -13.7393      1.00000
     37     -13.5372      1.00000
     38     -13.5109      1.00000
     39     -13.3025      1.00000
     40     -12.5774      1.00000
     41     -12.1021      1.00000
     42     -12.0776      1.00000
     43     -11.9997      1.00000
     44     -11.9520      1.00000
     45     -11.6058      1.00000
     46     -11.5982      1.00000
     47     -11.0849      1.00000
     48     -11.0617      1.00000
     49     -10.7329      1.00000
     50     -10.6656      1.00000
     51     -10.5588      1.00000
     52     -10.1402      1.00000
     53     -10.1358      1.00000
     54     -10.1018      1.00000
     55      -9.9665      1.00000
     56      -9.9260      1.00000
     57      -9.9225      1.00000
     58      -9.7513      1.00000
     59      -9.7296      1.00000
     60      -9.6978      1.00000
     61      -9.6950      1.00000
     62      -9.4009      1.00000
     63      -9.3901      1.00000
     64      -9.0688      1.00000
     65      -8.9828      1.00000
     66      -8.9819      1.00000
     67      -8.9066      1.00000
     68      -8.8131      1.00000
     69      -8.6499      1.00000
     70      -8.6342      1.00000
     71      -8.5474      1.00000
     72      -8.5027      1.00000
     73      -8.4837      1.00000
     74      -8.3947      1.00000
     75      -8.3832      1.00000
     76      -8.2105      1.00000
     77      -8.1021      1.00000
     78      -8.0077      1.00000
     79      -7.9020      1.00000
     80      -7.8432      1.00000
     81      -7.6221      1.00000
     82      -7.5335      1.00000
     83      -7.4580      1.00000
     84      -7.2527      1.00000
     85      -6.9424      1.00000
     86      -6.8690      1.00000
     87      -6.8099      1.00000
     88      -6.4785      1.00000
     89      -6.4694      1.00000
     90      -6.4101      1.00000
     91      -6.3606      1.00000
     92      -6.1896      1.00000
     93      -5.8586      1.00000
     94      -5.7383      1.00000
     95      -5.7118      1.00000
     96      -5.5239      1.00000
     97      -5.3295      1.00000
     98      -5.1729      1.00000
     99      -5.1679      1.00000
    100      -5.1345      1.00000
    101      -4.6963      1.00000
    102      -4.3482      1.00000
    103      -4.2784      1.00000
    104      -4.0276      1.00000
    105      -3.8272      1.00000
    106      -3.2333      1.00000
    107      -2.4057      0.00000
    108      -1.3463      0.00000
    109      -1.2434      0.00000
    110      -1.1538      0.00000
    111      -1.1086      0.00000
    112      -0.5841      0.00000
    113      -0.5210      0.00000
    114      -0.4340      0.00000
    115      -0.2750      0.00000
    116      -0.0713      0.00000
    117      -0.0113      0.00000
    118       0.0598      0.00000
    119       0.5832      0.00000
    120       0.7103      0.00000
    121       0.8072      0.00000
    122       0.9396      0.00000
    123       1.1791      0.00000
    124       1.5058      0.00000
    125       1.6170      0.00000
    126       1.8546      0.00000
    127       2.0012      0.00000
    128       2.0487      0.00000
    129       2.1088      0.00000
    130       2.1550      0.00000
    131       2.2682      0.00000
    132       2.2847      0.00000
    133       2.3496      0.00000
    134       2.4622      0.00000
    135       2.6101      0.00000
    136       2.6981      0.00000
    137       2.8151      0.00000
    138       2.9151      0.00000
    139       2.9427      0.00000
    140       3.0160      0.00000
    141       3.0476      0.00000
    142       3.1542      0.00000
    143       3.1675      0.00000
    144       3.2263      0.00000
    145       3.2974      0.00000
    146       3.3084      0.00000
    147       3.3517      0.00000
    148       3.3711      0.00000
    149       3.4137      0.00000
    150       3.4416      0.00000
    151       3.5589      0.00000
    152       3.6090      0.00000
    153       3.7059      0.00000
    154       3.7273      0.00000
    155       3.8433      0.00000
    156       3.9040      0.00000
    157       3.9291      0.00000
    158       3.9594      0.00000
    159       4.1427      0.00000
    160       4.1783      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2149      1.00000
      2     -22.0096      1.00000
      3     -21.6476      1.00000
      4     -21.6163      1.00000
      5     -20.9112      1.00000
      6     -20.8703      1.00000
      7     -20.5405      1.00000
      8     -20.5078      1.00000
      9     -20.5010      1.00000
     10     -19.9635      1.00000
     11     -19.4422      1.00000
     12     -19.4200      1.00000
     13     -19.2413      1.00000
     14     -19.2339      1.00000
     15     -18.3772      1.00000
     16     -18.3420      1.00000
     17     -17.8599      1.00000
     18     -17.8436      1.00000
     19     -17.6924      1.00000
     20     -17.6563      1.00000
     21     -17.3733      1.00000
     22     -17.3588      1.00000
     23     -17.2681      1.00000
     24     -16.4143      1.00000
     25     -16.3910      1.00000
     26     -15.9055      1.00000
     27     -15.3446      1.00000
     28     -15.3399      1.00000
     29     -15.0321      1.00000
     30     -15.0226      1.00000
     31     -14.7770      1.00000
     32     -14.7751      1.00000
     33     -14.2383      1.00000
     34     -14.1873      1.00000
     35     -13.3883      1.00000
     36     -13.3336      1.00000
     37     -13.1118      1.00000
     38     -13.1041      1.00000
     39     -12.9189      1.00000
     40     -12.9132      1.00000
     41     -12.5460      1.00000
     42     -12.5387      1.00000
     43     -12.1338      1.00000
     44     -11.5149      1.00000
     45     -11.4705      1.00000
     46     -11.2458      1.00000
     47     -11.2143      1.00000
     48     -11.0865      1.00000
     49     -10.7050      1.00000
     50     -10.5959      1.00000
     51     -10.5100      1.00000
     52     -10.2521      1.00000
     53     -10.2482      1.00000
     54     -10.1225      1.00000
     55     -10.0546      1.00000
     56     -10.0400      1.00000
     57      -9.7849      1.00000
     58      -9.6877      1.00000
     59      -9.6745      1.00000
     60      -9.6380      1.00000
     61      -9.6286      1.00000
     62      -9.5869      1.00000
     63      -9.2960      1.00000
     64      -9.2841      1.00000
     65      -9.2541      1.00000
     66      -9.0644      1.00000
     67      -8.8953      1.00000
     68      -8.8847      1.00000
     69      -8.7195      1.00000
     70      -8.5812      1.00000
     71      -8.5271      1.00000
     72      -8.3515      1.00000
     73      -8.3056      1.00000
     74      -8.2444      1.00000
     75      -8.2389      1.00000
     76      -8.1948      1.00000
     77      -8.1825      1.00000
     78      -8.1702      1.00000
     79      -8.1066      1.00000
     80      -7.6904      1.00000
     81      -7.4180      1.00000
     82      -7.3434      1.00000
     83      -7.2585      1.00000
     84      -7.1689      1.00000
     85      -7.1113      1.00000
     86      -7.0047      1.00000
     87      -6.9048      1.00000
     88      -6.8481      1.00000
     89      -6.5428      1.00000
     90      -6.4984      1.00000
     91      -6.2118      1.00000
     92      -6.2024      1.00000
     93      -5.8955      1.00000
     94      -5.6740      1.00000
     95      -5.6077      1.00000
     96      -5.5811      1.00000
     97      -5.2539      1.00000
     98      -5.2321      1.00000
     99      -5.1653      1.00000
    100      -5.1350      1.00000
    101      -4.5993      1.00000
    102      -4.2484      1.00000
    103      -4.0442      1.00000
    104      -3.8850      1.00000
    105      -3.8398      1.00000
    106      -3.8003      1.00000
    107      -1.8082      0.00000
    108      -1.7812      0.00000
    109      -1.2265      0.00000
    110      -1.1750      0.00000
    111      -0.9741      0.00000
    112      -0.7352      0.00000
    113      -0.6497      0.00000
    114      -0.5941      0.00000
    115      -0.5495      0.00000
    116      -0.1545      0.00000
    117       0.1765      0.00000
    118       0.2881      0.00000
    119       0.7028      0.00000
    120       0.9454      0.00000
    121       1.1690      0.00000
    122       1.2774      0.00000
    123       1.3415      0.00000
    124       1.5084      0.00000
    125       1.6058      0.00000
    126       1.6263      0.00000
    127       1.6907      0.00000
    128       1.7728      0.00000
    129       1.8581      0.00000
    130       2.0791      0.00000
    131       2.1624      0.00000
    132       2.3224      0.00000
    133       2.3889      0.00000
    134       2.4239      0.00000
    135       2.5514      0.00000
    136       2.6216      0.00000
    137       2.6872      0.00000
    138       2.7498      0.00000
    139       2.8169      0.00000
    140       2.9083      0.00000
    141       3.0527      0.00000
    142       3.0589      0.00000
    143       3.1788      0.00000
    144       3.2792      0.00000
    145       3.3755      0.00000
    146       3.4110      0.00000
    147       3.4578      0.00000
    148       3.5490      0.00000
    149       3.5732      0.00000
    150       3.6325      0.00000
    151       3.6616      0.00000
    152       3.7015      0.00000
    153       3.7873      0.00000
    154       3.8010      0.00000
    155       3.8200      0.00000
    156       3.8893      0.00000
    157       3.9067      0.00000
    158       3.9755      0.00000
    159       4.1878      0.00000
    160       4.2296      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3576      1.00000
      2     -21.5378      1.00000
      3     -21.4081      1.00000
      4     -21.4071      1.00000
      5     -21.3758      1.00000
      6     -21.3667      1.00000
      7     -21.3595      1.00000
      8     -19.6471      1.00000
      9     -19.5731      1.00000
     10     -19.5660      1.00000
     11     -19.5593      1.00000
     12     -19.5412      1.00000
     13     -19.5385      1.00000
     14     -18.7288      1.00000
     15     -18.6806      1.00000
     16     -18.6727      1.00000
     17     -18.6596      1.00000
     18     -18.6443      1.00000
     19     -18.6422      1.00000
     20     -16.5861      1.00000
     21     -16.5272      1.00000
     22     -16.5248      1.00000
     23     -16.5117      1.00000
     24     -16.4873      1.00000
     25     -16.4858      1.00000
     26     -15.5593      1.00000
     27     -15.5276      1.00000
     28     -15.5267      1.00000
     29     -15.5006      1.00000
     30     -15.4949      1.00000
     31     -15.4897      1.00000
     32     -14.2066      1.00000
     33     -14.1809      1.00000
     34     -14.1685      1.00000
     35     -14.1658      1.00000
     36     -14.1604      1.00000
     37     -14.1492      1.00000
     38     -11.8836      1.00000
     39     -11.8087      1.00000
     40     -11.7926      1.00000
     41     -11.7925      1.00000
     42     -11.7888      1.00000
     43     -11.7833      1.00000
     44     -11.7055      1.00000
     45     -11.6987      1.00000
     46     -11.6733      1.00000
     47     -11.6588      1.00000
     48     -11.6581      1.00000
     49     -11.6513      1.00000
     50     -10.6736      1.00000
     51     -10.3293      1.00000
     52     -10.3217      1.00000
     53     -10.3064      1.00000
     54     -10.3045      1.00000
     55     -10.2919      1.00000
     56     -10.2788      1.00000
     57      -9.9269      1.00000
     58      -9.3736      1.00000
     59      -9.3601      1.00000
     60      -9.3010      1.00000
     61      -9.2928      1.00000
     62      -9.2860      1.00000
     63      -9.0924      1.00000
     64      -9.0554      1.00000
     65      -9.0496      1.00000
     66      -9.0273      1.00000
     67      -9.0075      1.00000
     68      -9.0016      1.00000
     69      -9.0011      1.00000
     70      -8.9959      1.00000
     71      -8.9924      1.00000
     72      -8.9725      1.00000
     73      -8.9647      1.00000
     74      -8.9550      1.00000
     75      -8.4946      1.00000
     76      -7.5141      1.00000
     77      -7.4110      1.00000
     78      -7.4102      1.00000
     79      -7.4003      1.00000
     80      -7.3835      1.00000
     81      -7.3647      1.00000
     82      -7.3411      1.00000
     83      -7.3105      1.00000
     84      -7.2693      1.00000
     85      -7.2073      1.00000
     86      -7.1808      1.00000
     87      -7.1806      1.00000
     88      -7.0751      1.00000
     89      -6.5089      1.00000
     90      -6.4616      1.00000
     91      -6.3555      1.00000
     92      -6.2942      1.00000
     93      -6.2883      1.00000
     94      -6.2873      1.00000
     95      -5.8967      1.00000
     96      -5.8857      1.00000
     97      -5.0451      1.00000
     98      -4.9367      1.00000
     99      -4.5391      1.00000
    100      -4.3412      1.00000
    101      -4.3185      1.00000
    102      -4.3176      1.00000
    103      -4.1150      1.00000
    104      -3.9116      1.00000
    105      -3.9010      1.00000
    106      -3.8310      1.00000
    107      -1.6824      0.00000
    108      -1.6675      0.00000
    109      -1.5371      0.00000
    110      -1.5349      0.00000
    111      -1.5234      0.00000
    112      -1.5093      0.00000
    113      -0.5878      0.00000
    114       0.1343      0.00000
    115       0.2067      0.00000
    116       0.3247      0.00000
    117       0.3263      0.00000
    118       0.3339      0.00000
    119       0.4944      0.00000
    120       0.5926      0.00000
    121       1.2580      0.00000
    122       1.2686      0.00000
    123       1.5226      0.00000
    124       1.7976      0.00000
    125       1.8011      0.00000
    126       1.8044      0.00000
    127       1.8089      0.00000
    128       1.9454      0.00000
    129       1.9766      0.00000
    130       2.0317      0.00000
    131       2.0457      0.00000
    132       2.0510      0.00000
    133       2.0549      0.00000
    134       2.0577      0.00000
    135       2.3020      0.00000
    136       2.3255      0.00000
    137       2.6071      0.00000
    138       2.6144      0.00000
    139       2.6421      0.00000
    140       2.7213      0.00000
    141       2.8584      0.00000
    142       3.0290      0.00000
    143       3.0570      0.00000
    144       3.0909      0.00000
    145       3.0992      0.00000
    146       3.1031      0.00000
    147       3.1041      0.00000
    148       3.2286      0.00000
    149       3.4481      0.00000
    150       3.5369      0.00000
    151       3.7898      0.00000
    152       3.9465      0.00000
    153       3.9497      0.00000
    154       3.9552      0.00000
    155       3.9604      0.00000
    156       3.9970      0.00000
    157       4.1783      0.00000
    158       4.2636      0.00000
    159       4.2855      0.00000
    160       4.2862      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3210      1.00000
      2     -21.7624      1.00000
      3     -21.5716      1.00000
      4     -21.5388      1.00000
      5     -21.2087      1.00000
      6     -21.1639      1.00000
      7     -20.9881      1.00000
      8     -20.1026      1.00000
      9     -20.0585      1.00000
     10     -19.5471      1.00000
     11     -19.5225      1.00000
     12     -19.3500      1.00000
     13     -19.0255      1.00000
     14     -18.9905      1.00000
     15     -18.9823      1.00000
     16     -18.9700      1.00000
     17     -18.2981      1.00000
     18     -18.2788      1.00000
     19     -17.9528      1.00000
     20     -17.0102      1.00000
     21     -16.9603      1.00000
     22     -16.8793      1.00000
     23     -16.8693      1.00000
     24     -16.4054      1.00000
     25     -16.3906      1.00000
     26     -15.5524      1.00000
     27     -15.5368      1.00000
     28     -15.1981      1.00000
     29     -15.1699      1.00000
     30     -15.1156      1.00000
     31     -15.0286      1.00000
     32     -15.0035      1.00000
     33     -14.6367      1.00000
     34     -14.6251      1.00000
     35     -13.6678      1.00000
     36     -13.6525      1.00000
     37     -13.1703      1.00000
     38     -12.5515      1.00000
     39     -12.5182      1.00000
     40     -12.3918      1.00000
     41     -12.3789      1.00000
     42     -12.0575      1.00000
     43     -12.0347      1.00000
     44     -11.6596      1.00000
     45     -11.6176      1.00000
     46     -11.1805      1.00000
     47     -11.1574      1.00000
     48     -10.9653      1.00000
     49     -10.9416      1.00000
     50     -10.8738      1.00000
     51     -10.8379      1.00000
     52     -10.6030      1.00000
     53     -10.0938      1.00000
     54     -10.0895      1.00000
     55     -10.0466      1.00000
     56      -9.9709      1.00000
     57      -9.6545      1.00000
     58      -9.6301      1.00000
     59      -9.5926      1.00000
     60      -9.5301      1.00000
     61      -9.5109      1.00000
     62      -9.4799      1.00000
     63      -9.2646      1.00000
     64      -9.2419      1.00000
     65      -9.2216      1.00000
     66      -9.1665      1.00000
     67      -9.0692      1.00000
     68      -9.0478      1.00000
     69      -9.0412      1.00000
     70      -8.8834      1.00000
     71      -8.8065      1.00000
     72      -8.5766      1.00000
     73      -8.5228      1.00000
     74      -8.4583      1.00000
     75      -8.0356      1.00000
     76      -7.8116      1.00000
     77      -7.8075      1.00000
     78      -7.7926      1.00000
     79      -7.7009      1.00000
     80      -7.6911      1.00000
     81      -7.3636      1.00000
     82      -7.2741      1.00000
     83      -7.2647      1.00000
     84      -7.2162      1.00000
     85      -7.1734      1.00000
     86      -7.0093      1.00000
     87      -6.9473      1.00000
     88      -6.7471      1.00000
     89      -6.6728      1.00000
     90      -6.5948      1.00000
     91      -6.5599      1.00000
     92      -6.0508      1.00000
     93      -6.0474      1.00000
     94      -6.0219      1.00000
     95      -5.9591      1.00000
     96      -5.7371      1.00000
     97      -5.1544      1.00000
     98      -4.9894      1.00000
     99      -4.7190      1.00000
    100      -4.6114      1.00000
    101      -4.4396      1.00000
    102      -4.3735      1.00000
    103      -4.1215      1.00000
    104      -3.8676      1.00000
    105      -3.8312      1.00000
    106      -3.7904      1.00000
    107      -1.7850      0.00000
    108      -1.7390      0.00000
    109      -1.3954      0.00000
    110      -1.3458      0.00000
    111      -1.2650      0.00000
    112      -1.2261      0.00000
    113      -0.7463      0.00000
    114      -0.3801      0.00000
    115      -0.2199      0.00000
    116      -0.0196      0.00000
    117       0.5877      0.00000
    118       0.7361      0.00000
    119       0.7644      0.00000
    120       1.0497      0.00000
    121       1.1414      0.00000
    122       1.2495      0.00000
    123       1.2682      0.00000
    124       1.4111      0.00000
    125       1.4767      0.00000
    126       1.5812      0.00000
    127       1.7565      0.00000
    128       1.8397      0.00000
    129       1.8971      0.00000
    130       1.9577      0.00000
    131       2.1038      0.00000
    132       2.2306      0.00000
    133       2.2473      0.00000
    134       2.2925      0.00000
    135       2.4877      0.00000
    136       2.6108      0.00000
    137       2.6381      0.00000
    138       2.7641      0.00000
    139       2.7975      0.00000
    140       2.8589      0.00000
    141       2.8679      0.00000
    142       2.8932      0.00000
    143       2.9593      0.00000
    144       3.0775      0.00000
    145       3.2788      0.00000
    146       3.3033      0.00000
    147       3.3787      0.00000
    148       3.4103      0.00000
    149       3.4658      0.00000
    150       3.5863      0.00000
    151       3.6388      0.00000
    152       3.6703      0.00000
    153       3.7084      0.00000
    154       3.9042      0.00000
    155       3.9398      0.00000
    156       3.9802      0.00000
    157       4.0817      0.00000
    158       4.2009      0.00000
    159       4.2451      0.00000
    160       4.2953      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2153      1.00000
      2     -22.0090      1.00000
      3     -21.6503      1.00000
      4     -21.6132      1.00000
      5     -20.9140      1.00000
      6     -20.8676      1.00000
      7     -20.5467      1.00000
      8     -20.5073      1.00000
      9     -20.4969      1.00000
     10     -19.9645      1.00000
     11     -19.4433      1.00000
     12     -19.4163      1.00000
     13     -19.2424      1.00000
     14     -19.2281      1.00000
     15     -18.3849      1.00000
     16     -18.3408      1.00000
     17     -17.8608      1.00000
     18     -17.8398      1.00000
     19     -17.6987      1.00000
     20     -17.6561      1.00000
     21     -17.3728      1.00000
     22     -17.3568      1.00000
     23     -17.2751      1.00000
     24     -16.4019      1.00000
     25     -16.3871      1.00000
     26     -15.8975      1.00000
     27     -15.3531      1.00000
     28     -15.3380      1.00000
     29     -15.0353      1.00000
     30     -15.0217      1.00000
     31     -14.8000      1.00000
     32     -14.7755      1.00000
     33     -14.2228      1.00000
     34     -14.1905      1.00000
     35     -13.3717      1.00000
     36     -13.3378      1.00000
     37     -13.1203      1.00000
     38     -13.1029      1.00000
     39     -12.9173      1.00000
     40     -12.9039      1.00000
     41     -12.5572      1.00000
     42     -12.5393      1.00000
     43     -12.1338      1.00000
     44     -11.5223      1.00000
     45     -11.4745      1.00000
     46     -11.2540      1.00000
     47     -11.2205      1.00000
     48     -11.0801      1.00000
     49     -10.6587      1.00000
     50     -10.5894      1.00000
     51     -10.5239      1.00000
     52     -10.2588      1.00000
     53     -10.2496      1.00000
     54     -10.1233      1.00000
     55     -10.0492      1.00000
     56     -10.0416      1.00000
     57      -9.7700      1.00000
     58      -9.7063      1.00000
     59      -9.6806      1.00000
     60      -9.6309      1.00000
     61      -9.6273      1.00000
     62      -9.5888      1.00000
     63      -9.2950      1.00000
     64      -9.2859      1.00000
     65      -9.2535      1.00000
     66      -9.0870      1.00000
     67      -8.8980      1.00000
     68      -8.8837      1.00000
     69      -8.7256      1.00000
     70      -8.5891      1.00000
     71      -8.5144      1.00000
     72      -8.3315      1.00000
     73      -8.3034      1.00000
     74      -8.2648      1.00000
     75      -8.2337      1.00000
     76      -8.1953      1.00000
     77      -8.1864      1.00000
     78      -8.1710      1.00000
     79      -8.0998      1.00000
     80      -7.6891      1.00000
     81      -7.3563      1.00000
     82      -7.3108      1.00000
     83      -7.2650      1.00000
     84      -7.1876      1.00000
     85      -7.1257      1.00000
     86      -7.0775      1.00000
     87      -6.9076      1.00000
     88      -6.8831      1.00000
     89      -6.5493      1.00000
     90      -6.4930      1.00000
     91      -6.2098      1.00000
     92      -6.0700      1.00000
     93      -5.9422      1.00000
     94      -5.7149      1.00000
     95      -5.6335      1.00000
     96      -5.4530      1.00000
     97      -5.3052      1.00000
     98      -5.2347      1.00000
     99      -5.1527      1.00000
    100      -5.1520      1.00000
    101      -4.5209      1.00000
    102      -4.4699      1.00000
    103      -4.1418      1.00000
    104      -3.8344      1.00000
    105      -3.7567      1.00000
    106      -3.6799      1.00000
    107      -1.8708      0.00000
    108      -1.8243      0.00000
    109      -1.2784      0.00000
    110      -1.0357      0.00000
    111      -1.0122      0.00000
    112      -0.7132      0.00000
    113      -0.6397      0.00000
    114      -0.5884      0.00000
    115      -0.5462      0.00000
    116      -0.2045      0.00000
    117       0.2523      0.00000
    118       0.2786      0.00000
    119       0.7571      0.00000
    120       0.9425      0.00000
    121       1.1322      0.00000
    122       1.2256      0.00000
    123       1.3182      0.00000
    124       1.4092      0.00000
    125       1.5985      0.00000
    126       1.6332      0.00000
    127       1.6975      0.00000
    128       1.8235      0.00000
    129       1.9155      0.00000
    130       2.0085      0.00000
    131       2.1106      0.00000
    132       2.3299      0.00000
    133       2.3952      0.00000
    134       2.4288      0.00000
    135       2.5368      0.00000
    136       2.6330      0.00000
    137       2.7600      0.00000
    138       2.8228      0.00000
    139       2.8303      0.00000
    140       2.8882      0.00000
    141       3.0440      0.00000
    142       3.0878      0.00000
    143       3.1826      0.00000
    144       3.2361      0.00000
    145       3.3844      0.00000
    146       3.4208      0.00000
    147       3.4805      0.00000
    148       3.5756      0.00000
    149       3.6000      0.00000
    150       3.6269      0.00000
    151       3.6496      0.00000
    152       3.7406      0.00000
    153       3.7708      0.00000
    154       3.7843      0.00000
    155       3.8107      0.00000
    156       3.8929      0.00000
    157       3.9746      0.00000
    158       4.0047      0.00000
    159       4.1741      0.00000
    160       4.2383      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2491      1.00000
      2     -21.8947      1.00000
      3     -21.8241      1.00000
      4     -21.3127      1.00000
      5     -21.2824      1.00000
      6     -20.7714      1.00000
      7     -20.7056      1.00000
      8     -20.5572      1.00000
      9     -20.0097      1.00000
     10     -20.0022      1.00000
     11     -19.6488      1.00000
     12     -19.6244      1.00000
     13     -18.9303      1.00000
     14     -18.9217      1.00000
     15     -18.5714      1.00000
     16     -18.5572      1.00000
     17     -18.3947      1.00000
     18     -17.6155      1.00000
     19     -17.5593      1.00000
     20     -17.5544      1.00000
     21     -17.5128      1.00000
     22     -17.0566      1.00000
     23     -17.0385      1.00000
     24     -16.8918      1.00000
     25     -15.9301      1.00000
     26     -15.8679      1.00000
     27     -15.5171      1.00000
     28     -15.5164      1.00000
     29     -15.2287      1.00000
     30     -14.7953      1.00000
     31     -14.7677      1.00000
     32     -14.5157      1.00000
     33     -14.4718      1.00000
     34     -14.1019      1.00000
     35     -14.0911      1.00000
     36     -13.0768      1.00000
     37     -13.0339      1.00000
     38     -12.9674      1.00000
     39     -12.9552      1.00000
     40     -12.6458      1.00000
     41     -12.6392      1.00000
     42     -12.2747      1.00000
     43     -12.2434      1.00000
     44     -11.5873      1.00000
     45     -11.5606      1.00000
     46     -11.5068      1.00000
     47     -10.9043      1.00000
     48     -10.8515      1.00000
     49     -10.6209      1.00000
     50     -10.5598      1.00000
     51     -10.4857      1.00000
     52     -10.4340      1.00000
     53     -10.4244      1.00000
     54     -10.3715      1.00000
     55     -10.2946      1.00000
     56     -10.0656      1.00000
     57      -9.8341      1.00000
     58      -9.5489      1.00000
     59      -9.4891      1.00000
     60      -9.4702      1.00000
     61      -9.3465      1.00000
     62      -9.3311      1.00000
     63      -9.3111      1.00000
     64      -9.3092      1.00000
     65      -9.2151      1.00000
     66      -9.1119      1.00000
     67      -9.0806      1.00000
     68      -9.0498      1.00000
     69      -8.8475      1.00000
     70      -8.7930      1.00000
     71      -8.7744      1.00000
     72      -8.5279      1.00000
     73      -8.4757      1.00000
     74      -8.2214      1.00000
     75      -8.1099      1.00000
     76      -8.0997      1.00000
     77      -7.8077      1.00000
     78      -7.7845      1.00000
     79      -7.7821      1.00000
     80      -7.6738      1.00000
     81      -7.6321      1.00000
     82      -7.6304      1.00000
     83      -7.4012      1.00000
     84      -7.3254      1.00000
     85      -7.1998      1.00000
     86      -6.8395      1.00000
     87      -6.8294      1.00000
     88      -6.6620      1.00000
     89      -6.5392      1.00000
     90      -6.3449      1.00000
     91      -6.3079      1.00000
     92      -6.1845      1.00000
     93      -6.1473      1.00000
     94      -5.9781      1.00000
     95      -5.5727      1.00000
     96      -5.4266      1.00000
     97      -5.2593      1.00000
     98      -5.2487      1.00000
     99      -5.1495      1.00000
    100      -4.6958      1.00000
    101      -4.6652      1.00000
    102      -4.3487      1.00000
    103      -4.3142      1.00000
    104      -3.9633      1.00000
    105      -3.8274      1.00000
    106      -3.3900      1.00000
    107      -2.2201      0.00000
    108      -1.3766      0.00000
    109      -1.2873      0.00000
    110      -1.1735      0.00000
    111      -1.0785      0.00000
    112      -0.8940      0.00000
    113      -0.7685      0.00000
    114      -0.7574      0.00000
    115      -0.2206      0.00000
    116       0.1139      0.00000
    117       0.2638      0.00000
    118       0.3458      0.00000
    119       0.7311      0.00000
    120       0.9047      0.00000
    121       0.9713      0.00000
    122       1.0918      0.00000
    123       1.2034      0.00000
    124       1.5280      0.00000
    125       1.5600      0.00000
    126       1.7111      0.00000
    127       1.8376      0.00000
    128       1.8619      0.00000
    129       1.9696      0.00000
    130       1.9932      0.00000
    131       2.1603      0.00000
    132       2.2640      0.00000
    133       2.4537      0.00000
    134       2.4694      0.00000
    135       2.5103      0.00000
    136       2.6662      0.00000
    137       2.6854      0.00000
    138       2.7289      0.00000
    139       2.7445      0.00000
    140       2.8894      0.00000
    141       3.0199      0.00000
    142       3.0826      0.00000
    143       3.1973      0.00000
    144       3.2565      0.00000
    145       3.2585      0.00000
    146       3.2670      0.00000
    147       3.3597      0.00000
    148       3.4800      0.00000
    149       3.5252      0.00000
    150       3.6946      0.00000
    151       3.7501      0.00000
    152       3.7705      0.00000
    153       3.8362      0.00000
    154       3.8758      0.00000
    155       3.9404      0.00000
    156       3.9855      0.00000
    157       4.0254      0.00000
    158       4.0490      0.00000
    159       4.0567      0.00000
    160       4.0863      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1431      1.00000
      2     -22.0479      1.00000
      3     -21.8877      1.00000
      4     -21.3357      1.00000
      5     -20.9827      1.00000
      6     -20.9443      1.00000
      7     -20.4343      1.00000
      8     -20.3918      1.00000
      9     -20.2275      1.00000
     10     -20.2062      1.00000
     11     -19.8900      1.00000
     12     -19.8224      1.00000
     13     -18.8157      1.00000
     14     -18.7446      1.00000
     15     -18.2906      1.00000
     16     -18.2375      1.00000
     17     -18.0866      1.00000
     18     -18.0666      1.00000
     19     -17.7622      1.00000
     20     -17.7201      1.00000
     21     -17.1895      1.00000
     22     -17.1706      1.00000
     23     -17.1003      1.00000
     24     -17.0645      1.00000
     25     -16.0390      1.00000
     26     -15.8236      1.00000
     27     -15.8007      1.00000
     28     -15.7650      1.00000
     29     -15.1742      1.00000
     30     -14.4917      1.00000
     31     -14.4591      1.00000
     32     -14.2182      1.00000
     33     -13.8960      1.00000
     34     -13.8908      1.00000
     35     -13.7566      1.00000
     36     -13.7364      1.00000
     37     -13.5520      1.00000
     38     -13.5038      1.00000
     39     -13.3011      1.00000
     40     -12.5654      1.00000
     41     -12.1253      1.00000
     42     -12.0667      1.00000
     43     -12.0106      1.00000
     44     -11.9523      1.00000
     45     -11.6115      1.00000
     46     -11.5887      1.00000
     47     -11.0852      1.00000
     48     -11.0524      1.00000
     49     -10.7529      1.00000
     50     -10.6645      1.00000
     51     -10.5264      1.00000
     52     -10.1495      1.00000
     53     -10.1390      1.00000
     54     -10.0971      1.00000
     55      -9.9538      1.00000
     56      -9.9484      1.00000
     57      -9.9181      1.00000
     58      -9.7379      1.00000
     59      -9.7322      1.00000
     60      -9.7011      1.00000
     61      -9.6914      1.00000
     62      -9.4287      1.00000
     63      -9.3637      1.00000
     64      -9.0858      1.00000
     65      -9.0075      1.00000
     66      -8.9751      1.00000
     67      -8.8882      1.00000
     68      -8.8123      1.00000
     69      -8.6584      1.00000
     70      -8.6358      1.00000
     71      -8.5778      1.00000
     72      -8.4786      1.00000
     73      -8.4678      1.00000
     74      -8.3985      1.00000
     75      -8.3948      1.00000
     76      -8.1848      1.00000
     77      -8.1141      1.00000
     78      -7.9781      1.00000
     79      -7.9151      1.00000
     80      -7.8476      1.00000
     81      -7.6178      1.00000
     82      -7.5308      1.00000
     83      -7.4691      1.00000
     84      -7.2561      1.00000
     85      -6.9351      1.00000
     86      -6.8581      1.00000
     87      -6.8118      1.00000
     88      -6.5743      1.00000
     89      -6.4668      1.00000
     90      -6.4207      1.00000
     91      -6.3573      1.00000
     92      -6.0522      1.00000
     93      -5.8779      1.00000
     94      -5.7535      1.00000
     95      -5.7223      1.00000
     96      -5.4771      1.00000
     97      -5.3463      1.00000
     98      -5.1808      1.00000
     99      -5.1567      1.00000
    100      -5.1550      1.00000
    101      -4.7073      1.00000
    102      -4.4401      1.00000
    103      -4.2541      1.00000
    104      -3.9946      1.00000
    105      -3.8263      1.00000
    106      -3.1565      1.00000
    107      -2.4632      0.00000
    108      -1.3798      0.00000
    109      -1.2408      0.00000
    110      -1.1464      0.00000
    111      -1.1148      0.00000
    112      -0.5649      0.00000
    113      -0.4347      0.00000
    114      -0.4302      0.00000
    115      -0.3099      0.00000
    116      -0.1908      0.00000
    117       0.0618      0.00000
    118       0.1162      0.00000
    119       0.5404      0.00000
    120       0.6837      0.00000
    121       0.8684      0.00000
    122       0.9642      0.00000
    123       1.1074      0.00000
    124       1.4927      0.00000
    125       1.6587      0.00000
    126       1.7979      0.00000
    127       1.8712      0.00000
    128       2.0892      0.00000
    129       2.1456      0.00000
    130       2.1947      0.00000
    131       2.2156      0.00000
    132       2.3399      0.00000
    133       2.3641      0.00000
    134       2.4859      0.00000
    135       2.5799      0.00000
    136       2.6664      0.00000
    137       2.8779      0.00000
    138       2.9372      0.00000
    139       2.9635      0.00000
    140       2.9965      0.00000
    141       3.0396      0.00000
    142       3.1480      0.00000
    143       3.1859      0.00000
    144       3.2453      0.00000
    145       3.2877      0.00000
    146       3.3311      0.00000
    147       3.3488      0.00000
    148       3.3782      0.00000
    149       3.4079      0.00000
    150       3.4936      0.00000
    151       3.5476      0.00000
    152       3.6301      0.00000
    153       3.6966      0.00000
    154       3.7072      0.00000
    155       3.7265      0.00000
    156       3.9181      0.00000
    157       3.9374      0.00000
    158       4.0538      0.00000
    159       4.0846      0.00000
    160       4.1973      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2489      1.00000
      2     -21.8962      1.00000
      3     -21.8226      1.00000
      4     -21.3173      1.00000
      5     -21.2785      1.00000
      6     -20.7725      1.00000
      7     -20.7035      1.00000
      8     -20.5555      1.00000
      9     -20.0238      1.00000
     10     -19.9914      1.00000
     11     -19.6512      1.00000
     12     -19.6202      1.00000
     13     -18.9443      1.00000
     14     -18.9095      1.00000
     15     -18.5847      1.00000
     16     -18.5476      1.00000
     17     -18.3929      1.00000
     18     -17.6026      1.00000
     19     -17.5713      1.00000
     20     -17.5419      1.00000
     21     -17.5091      1.00000
     22     -17.0750      1.00000
     23     -17.0284      1.00000
     24     -16.9007      1.00000
     25     -15.9460      1.00000
     26     -15.8522      1.00000
     27     -15.5339      1.00000
     28     -15.5074      1.00000
     29     -15.2100      1.00000
     30     -14.8143      1.00000
     31     -14.7622      1.00000
     32     -14.5100      1.00000
     33     -14.4683      1.00000
     34     -14.0970      1.00000
     35     -14.0938      1.00000
     36     -13.1051      1.00000
     37     -13.0303      1.00000
     38     -12.9570      1.00000
     39     -12.9501      1.00000
     40     -12.6561      1.00000
     41     -12.6278      1.00000
     42     -12.2750      1.00000
     43     -12.2479      1.00000
     44     -11.5735      1.00000
     45     -11.5541      1.00000
     46     -11.5014      1.00000
     47     -10.8784      1.00000
     48     -10.8694      1.00000
     49     -10.6812      1.00000
     50     -10.5254      1.00000
     51     -10.5209      1.00000
     52     -10.4343      1.00000
     53     -10.4166      1.00000
     54     -10.3705      1.00000
     55     -10.2884      1.00000
     56     -10.0613      1.00000
     57      -9.8329      1.00000
     58      -9.5589      1.00000
     59      -9.4849      1.00000
     60      -9.4442      1.00000
     61      -9.3564      1.00000
     62      -9.3395      1.00000
     63      -9.3082      1.00000
     64      -9.3030      1.00000
     65      -9.2069      1.00000
     66      -9.0999      1.00000
     67      -9.0689      1.00000
     68      -9.0498      1.00000
     69      -8.8504      1.00000
     70      -8.7975      1.00000
     71      -8.7782      1.00000
     72      -8.5276      1.00000
     73      -8.4971      1.00000
     74      -8.2262      1.00000
     75      -8.1301      1.00000
     76      -8.0931      1.00000
     77      -7.8066      1.00000
     78      -7.7678      1.00000
     79      -7.7404      1.00000
     80      -7.7030      1.00000
     81      -7.6352      1.00000
     82      -7.6253      1.00000
     83      -7.3882      1.00000
     84      -7.3448      1.00000
     85      -7.2193      1.00000
     86      -6.8438      1.00000
     87      -6.8209      1.00000
     88      -6.6399      1.00000
     89      -6.5299      1.00000
     90      -6.3413      1.00000
     91      -6.2733      1.00000
     92      -6.1959      1.00000
     93      -6.1323      1.00000
     94      -6.0214      1.00000
     95      -5.6364      1.00000
     96      -5.5090      1.00000
     97      -5.2982      1.00000
     98      -5.1564      1.00000
     99      -5.0404      1.00000
    100      -4.7260      1.00000
    101      -4.6858      1.00000
    102      -4.3676      1.00000
    103      -4.1839      1.00000
    104      -4.0077      1.00000
    105      -3.8258      1.00000
    106      -3.4842      1.00000
    107      -2.1648      0.00000
    108      -1.3841      0.00000
    109      -1.2355      0.00000
    110      -1.1853      0.00000
    111      -1.0145      0.00000
    112      -0.9555      0.00000
    113      -0.7975      0.00000
    114      -0.7525      0.00000
    115      -0.3675      0.00000
    116       0.2455      0.00000
    117       0.2765      0.00000
    118       0.3639      0.00000
    119       0.6970      0.00000
    120       0.8685      0.00000
    121       0.9656      0.00000
    122       1.1231      0.00000
    123       1.2325      0.00000
    124       1.4535      0.00000
    125       1.5515      0.00000
    126       1.7808      0.00000
    127       1.8504      0.00000
    128       1.8840      0.00000
    129       1.9821      0.00000
    130       2.0281      0.00000
    131       2.1982      0.00000
    132       2.2077      0.00000
    133       2.3993      0.00000
    134       2.4594      0.00000
    135       2.5550      0.00000
    136       2.6578      0.00000
    137       2.6846      0.00000
    138       2.7260      0.00000
    139       2.7680      0.00000
    140       2.8495      0.00000
    141       2.9627      0.00000
    142       3.0804      0.00000
    143       3.1929      0.00000
    144       3.2397      0.00000
    145       3.2569      0.00000
    146       3.2958      0.00000
    147       3.3337      0.00000
    148       3.4787      0.00000
    149       3.5058      0.00000
    150       3.7088      0.00000
    151       3.7201      0.00000
    152       3.7707      0.00000
    153       3.8586      0.00000
    154       3.8731      0.00000
    155       3.8996      0.00000
    156       3.9964      0.00000
    157       4.0036      0.00000
    158       4.0541      0.00000
    159       4.0652      0.00000
    160       4.0865      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3209      1.00000
      2     -21.7627      1.00000
      3     -21.5689      1.00000
      4     -21.5417      1.00000
      5     -21.2062      1.00000
      6     -21.1671      1.00000
      7     -20.9867      1.00000
      8     -20.0997      1.00000
      9     -20.0607      1.00000
     10     -19.5474      1.00000
     11     -19.5271      1.00000
     12     -19.3457      1.00000
     13     -19.0291      1.00000
     14     -18.9891      1.00000
     15     -18.9785      1.00000
     16     -18.9726      1.00000
     17     -18.2969      1.00000
     18     -18.2832      1.00000
     19     -17.9470      1.00000
     20     -17.0011      1.00000
     21     -16.9603      1.00000
     22     -16.8833      1.00000
     23     -16.8702      1.00000
     24     -16.4166      1.00000
     25     -16.3941      1.00000
     26     -15.5418      1.00000
     27     -15.5386      1.00000
     28     -15.1736      1.00000
     29     -15.1723      1.00000
     30     -15.1315      1.00000
     31     -15.0371      1.00000
     32     -15.0013      1.00000
     33     -14.6341      1.00000
     34     -14.6275      1.00000
     35     -13.6634      1.00000
     36     -13.6539      1.00000
     37     -13.1713      1.00000
     38     -12.5733      1.00000
     39     -12.5133      1.00000
     40     -12.3863      1.00000
     41     -12.3859      1.00000
     42     -12.0358      1.00000
     43     -12.0321      1.00000
     44     -11.6560      1.00000
     45     -11.6157      1.00000
     46     -11.2065      1.00000
     47     -11.1573      1.00000
     48     -10.9556      1.00000
     49     -10.9427      1.00000
     50     -10.8614      1.00000
     51     -10.8292      1.00000
     52     -10.6251      1.00000
     53     -10.1463      1.00000
     54     -10.0848      1.00000
     55     -10.0253      1.00000
     56      -9.9466      1.00000
     57      -9.6317      1.00000
     58      -9.6299      1.00000
     59      -9.6040      1.00000
     60      -9.5411      1.00000
     61      -9.5040      1.00000
     62      -9.4798      1.00000
     63      -9.2728      1.00000
     64      -9.2357      1.00000
     65      -9.2079      1.00000
     66      -9.1804      1.00000
     67      -9.0632      1.00000
     68      -9.0473      1.00000
     69      -9.0438      1.00000
     70      -8.8777      1.00000
     71      -8.8096      1.00000
     72      -8.5351      1.00000
     73      -8.5333      1.00000
     74      -8.4993      1.00000
     75      -8.0310      1.00000
     76      -7.8324      1.00000
     77      -7.8002      1.00000
     78      -7.7752      1.00000
     79      -7.7037      1.00000
     80      -7.6843      1.00000
     81      -7.4136      1.00000
     82      -7.2876      1.00000
     83      -7.2514      1.00000
     84      -7.2042      1.00000
     85      -7.0823      1.00000
     86      -7.0754      1.00000
     87      -6.9389      1.00000
     88      -6.7118      1.00000
     89      -6.6748      1.00000
     90      -6.6298      1.00000
     91      -6.5579      1.00000
     92      -6.0715      1.00000
     93      -6.0317      1.00000
     94      -6.0017      1.00000
     95      -5.9383      1.00000
     96      -5.8003      1.00000
     97      -5.1803      1.00000
     98      -4.8942      1.00000
     99      -4.7942      1.00000
    100      -4.6114      1.00000
    101      -4.5124      1.00000
    102      -4.1400      1.00000
    103      -4.0907      1.00000
    104      -3.9305      1.00000
    105      -3.9158      1.00000
    106      -3.8250      1.00000
    107      -1.7523      0.00000
    108      -1.6964      0.00000
    109      -1.4110      0.00000
    110      -1.3707      0.00000
    111      -1.2649      0.00000
    112      -1.2357      0.00000
    113      -0.6257      0.00000
    114      -0.5982      0.00000
    115      -0.1900      0.00000
    116       0.0411      0.00000
    117       0.5813      0.00000
    118       0.7407      0.00000
    119       0.8491      0.00000
    120       0.9277      0.00000
    121       1.1677      0.00000
    122       1.2099      0.00000
    123       1.2447      0.00000
    124       1.4155      0.00000
    125       1.5965      0.00000
    126       1.6346      0.00000
    127       1.7018      0.00000
    128       1.8066      0.00000
    129       1.9228      0.00000
    130       1.9397      0.00000
    131       2.1446      0.00000
    132       2.1699      0.00000
    133       2.2597      0.00000
    134       2.2981      0.00000
    135       2.5395      0.00000
    136       2.5546      0.00000
    137       2.6407      0.00000
    138       2.7591      0.00000
    139       2.8094      0.00000
    140       2.8496      0.00000
    141       2.8937      0.00000
    142       2.9449      0.00000
    143       3.0102      0.00000
    144       3.0246      0.00000
    145       3.0833      0.00000
    146       3.3080      0.00000
    147       3.3728      0.00000
    148       3.4229      0.00000
    149       3.4778      0.00000
    150       3.6064      0.00000
    151       3.6572      0.00000
    152       3.6692      0.00000
    153       3.6797      0.00000
    154       3.8895      0.00000
    155       3.9762      0.00000
    156       4.0232      0.00000
    157       4.0708      0.00000
    158       4.2363      0.00000
    159       4.2561      0.00000
    160       4.2634      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1422      1.00000
      2     -22.0493      1.00000
      3     -21.8872      1.00000
      4     -21.3366      1.00000
      5     -20.9779      1.00000
      6     -20.9483      1.00000
      7     -20.4291      1.00000
      8     -20.3971      1.00000
      9     -20.2171      1.00000
     10     -20.2151      1.00000
     11     -19.8889      1.00000
     12     -19.8251      1.00000
     13     -18.8187      1.00000
     14     -18.7479      1.00000
     15     -18.2669      1.00000
     16     -18.2523      1.00000
     17     -18.0812      1.00000
     18     -18.0744      1.00000
     19     -17.7469      1.00000
     20     -17.7308      1.00000
     21     -17.1956      1.00000
     22     -17.1722      1.00000
     23     -17.0894      1.00000
     24     -17.0690      1.00000
     25     -16.0548      1.00000
     26     -15.8096      1.00000
     27     -15.8000      1.00000
     28     -15.7783      1.00000
     29     -15.1598      1.00000
     30     -14.4865      1.00000
     31     -14.4652      1.00000
     32     -14.2048      1.00000
     33     -13.9168      1.00000
     34     -13.8873      1.00000
     35     -13.7593      1.00000
     36     -13.7393      1.00000
     37     -13.5372      1.00000
     38     -13.5109      1.00000
     39     -13.3025      1.00000
     40     -12.5774      1.00000
     41     -12.1021      1.00000
     42     -12.0776      1.00000
     43     -11.9997      1.00000
     44     -11.9520      1.00000
     45     -11.6058      1.00000
     46     -11.5982      1.00000
     47     -11.0849      1.00000
     48     -11.0617      1.00000
     49     -10.7329      1.00000
     50     -10.6656      1.00000
     51     -10.5588      1.00000
     52     -10.1402      1.00000
     53     -10.1358      1.00000
     54     -10.1018      1.00000
     55      -9.9665      1.00000
     56      -9.9260      1.00000
     57      -9.9225      1.00000
     58      -9.7513      1.00000
     59      -9.7296      1.00000
     60      -9.6978      1.00000
     61      -9.6950      1.00000
     62      -9.4009      1.00000
     63      -9.3901      1.00000
     64      -9.0688      1.00000
     65      -8.9828      1.00000
     66      -8.9819      1.00000
     67      -8.9066      1.00000
     68      -8.8131      1.00000
     69      -8.6499      1.00000
     70      -8.6342      1.00000
     71      -8.5474      1.00000
     72      -8.5027      1.00000
     73      -8.4837      1.00000
     74      -8.3947      1.00000
     75      -8.3832      1.00000
     76      -8.2105      1.00000
     77      -8.1021      1.00000
     78      -8.0077      1.00000
     79      -7.9020      1.00000
     80      -7.8432      1.00000
     81      -7.6221      1.00000
     82      -7.5335      1.00000
     83      -7.4580      1.00000
     84      -7.2527      1.00000
     85      -6.9424      1.00000
     86      -6.8690      1.00000
     87      -6.8099      1.00000
     88      -6.4785      1.00000
     89      -6.4694      1.00000
     90      -6.4101      1.00000
     91      -6.3606      1.00000
     92      -6.1896      1.00000
     93      -5.8586      1.00000
     94      -5.7383      1.00000
     95      -5.7118      1.00000
     96      -5.5239      1.00000
     97      -5.3295      1.00000
     98      -5.1729      1.00000
     99      -5.1679      1.00000
    100      -5.1345      1.00000
    101      -4.6963      1.00000
    102      -4.3482      1.00000
    103      -4.2784      1.00000
    104      -4.0276      1.00000
    105      -3.8272      1.00000
    106      -3.2333      1.00000
    107      -2.4057      0.00000
    108      -1.3463      0.00000
    109      -1.2434      0.00000
    110      -1.1538      0.00000
    111      -1.1086      0.00000
    112      -0.5841      0.00000
    113      -0.5210      0.00000
    114      -0.4340      0.00000
    115      -0.2750      0.00000
    116      -0.0713      0.00000
    117      -0.0113      0.00000
    118       0.0598      0.00000
    119       0.5832      0.00000
    120       0.7103      0.00000
    121       0.8072      0.00000
    122       0.9396      0.00000
    123       1.1791      0.00000
    124       1.5058      0.00000
    125       1.6170      0.00000
    126       1.8546      0.00000
    127       2.0012      0.00000
    128       2.0487      0.00000
    129       2.1088      0.00000
    130       2.1550      0.00000
    131       2.2682      0.00000
    132       2.2847      0.00000
    133       2.3496      0.00000
    134       2.4622      0.00000
    135       2.6101      0.00000
    136       2.6981      0.00000
    137       2.8151      0.00000
    138       2.9151      0.00000
    139       2.9427      0.00000
    140       3.0160      0.00000
    141       3.0476      0.00000
    142       3.1542      0.00000
    143       3.1675      0.00000
    144       3.2263      0.00000
    145       3.2974      0.00000
    146       3.3084      0.00000
    147       3.3517      0.00000
    148       3.3711      0.00000
    149       3.4137      0.00000
    150       3.4416      0.00000
    151       3.5589      0.00000
    152       3.6090      0.00000
    153       3.7059      0.00000
    154       3.7273      0.00000
    155       3.8433      0.00000
    156       3.9040      0.00000
    157       3.9291      0.00000
    158       3.9594      0.00000
    159       4.1427      0.00000
    160       4.1783      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2149      1.00000
      2     -22.0096      1.00000
      3     -21.6476      1.00000
      4     -21.6163      1.00000
      5     -20.9112      1.00000
      6     -20.8703      1.00000
      7     -20.5405      1.00000
      8     -20.5078      1.00000
      9     -20.5010      1.00000
     10     -19.9635      1.00000
     11     -19.4422      1.00000
     12     -19.4200      1.00000
     13     -19.2413      1.00000
     14     -19.2339      1.00000
     15     -18.3772      1.00000
     16     -18.3420      1.00000
     17     -17.8599      1.00000
     18     -17.8436      1.00000
     19     -17.6924      1.00000
     20     -17.6563      1.00000
     21     -17.3733      1.00000
     22     -17.3588      1.00000
     23     -17.2681      1.00000
     24     -16.4143      1.00000
     25     -16.3910      1.00000
     26     -15.9055      1.00000
     27     -15.3446      1.00000
     28     -15.3399      1.00000
     29     -15.0321      1.00000
     30     -15.0226      1.00000
     31     -14.7770      1.00000
     32     -14.7751      1.00000
     33     -14.2383      1.00000
     34     -14.1873      1.00000
     35     -13.3883      1.00000
     36     -13.3336      1.00000
     37     -13.1118      1.00000
     38     -13.1041      1.00000
     39     -12.9189      1.00000
     40     -12.9132      1.00000
     41     -12.5460      1.00000
     42     -12.5387      1.00000
     43     -12.1338      1.00000
     44     -11.5149      1.00000
     45     -11.4705      1.00000
     46     -11.2458      1.00000
     47     -11.2143      1.00000
     48     -11.0865      1.00000
     49     -10.7050      1.00000
     50     -10.5959      1.00000
     51     -10.5100      1.00000
     52     -10.2521      1.00000
     53     -10.2482      1.00000
     54     -10.1225      1.00000
     55     -10.0546      1.00000
     56     -10.0400      1.00000
     57      -9.7849      1.00000
     58      -9.6877      1.00000
     59      -9.6745      1.00000
     60      -9.6380      1.00000
     61      -9.6286      1.00000
     62      -9.5869      1.00000
     63      -9.2960      1.00000
     64      -9.2841      1.00000
     65      -9.2541      1.00000
     66      -9.0644      1.00000
     67      -8.8953      1.00000
     68      -8.8847      1.00000
     69      -8.7195      1.00000
     70      -8.5812      1.00000
     71      -8.5271      1.00000
     72      -8.3515      1.00000
     73      -8.3056      1.00000
     74      -8.2444      1.00000
     75      -8.2389      1.00000
     76      -8.1948      1.00000
     77      -8.1825      1.00000
     78      -8.1702      1.00000
     79      -8.1066      1.00000
     80      -7.6904      1.00000
     81      -7.4180      1.00000
     82      -7.3434      1.00000
     83      -7.2585      1.00000
     84      -7.1689      1.00000
     85      -7.1113      1.00000
     86      -7.0047      1.00000
     87      -6.9048      1.00000
     88      -6.8481      1.00000
     89      -6.5428      1.00000
     90      -6.4984      1.00000
     91      -6.2118      1.00000
     92      -6.2024      1.00000
     93      -5.8955      1.00000
     94      -5.6740      1.00000
     95      -5.6077      1.00000
     96      -5.5811      1.00000
     97      -5.2539      1.00000
     98      -5.2321      1.00000
     99      -5.1653      1.00000
    100      -5.1350      1.00000
    101      -4.5993      1.00000
    102      -4.2484      1.00000
    103      -4.0442      1.00000
    104      -3.8850      1.00000
    105      -3.8398      1.00000
    106      -3.8003      1.00000
    107      -1.8082      0.00000
    108      -1.7812      0.00000
    109      -1.2265      0.00000
    110      -1.1750      0.00000
    111      -0.9741      0.00000
    112      -0.7352      0.00000
    113      -0.6497      0.00000
    114      -0.5941      0.00000
    115      -0.5495      0.00000
    116      -0.1545      0.00000
    117       0.1765      0.00000
    118       0.2881      0.00000
    119       0.7028      0.00000
    120       0.9454      0.00000
    121       1.1690      0.00000
    122       1.2774      0.00000
    123       1.3415      0.00000
    124       1.5084      0.00000
    125       1.6058      0.00000
    126       1.6263      0.00000
    127       1.6907      0.00000
    128       1.7728      0.00000
    129       1.8581      0.00000
    130       2.0791      0.00000
    131       2.1624      0.00000
    132       2.3224      0.00000
    133       2.3889      0.00000
    134       2.4239      0.00000
    135       2.5514      0.00000
    136       2.6216      0.00000
    137       2.6872      0.00000
    138       2.7498      0.00000
    139       2.8169      0.00000
    140       2.9083      0.00000
    141       3.0527      0.00000
    142       3.0589      0.00000
    143       3.1788      0.00000
    144       3.2792      0.00000
    145       3.3755      0.00000
    146       3.4110      0.00000
    147       3.4578      0.00000
    148       3.5490      0.00000
    149       3.5732      0.00000
    150       3.6325      0.00000
    151       3.6616      0.00000
    152       3.7015      0.00000
    153       3.7873      0.00000
    154       3.8010      0.00000
    155       3.8200      0.00000
    156       3.8893      0.00000
    157       3.9067      0.00000
    158       3.9755      0.00000
    159       4.1878      0.00000
    160       4.2296      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0387   -7.2566    3.9829   -1.1316   -0.1850   17.3732    0.4912   -0.8146    0.7709   -0.4764
x    -3.1262   -0.0253   -0.0208   -0.0261    0.0911   -3.0538    0.0302   -0.0243    0.0084    0.0018
x    -0.0953   -0.0029    0.0035   -0.0031    0.0021   -0.0242    0.0000    0.0000   -0.0001    0.0001
x    -0.0035   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0387    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0034    0.0000    0.0004    0.0007    0.0028   -0.0985   -0.0315    0.0619    0.0183
y     0.0231   -3.2430   -0.1790    0.1694   -2.4120   -0.6650
z   204.0387    1.7371    0.2880    0.0898   -0.0013    0.0776   -0.0019    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1048    0.0015   -0.0009   -0.0001    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0013   -0.0001    0.0001    0.0000
z    -0.0001    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  -16.7042
z     0.1402    0.2292   -0.0317    0.0573   -0.0903    0.0006
 total charge-density along one line
x   212.0000  -10.0881    5.9300   -1.9406   -0.4206   19.2926   -0.6584    0.2077    0.0658   -0.1057
x    -2.7063   -0.0090    0.0017   -0.0451    0.0969   -2.3453    0.0476   -0.0343    0.0117    0.0024
x    -0.0854   -0.0055    0.0083   -0.0079    0.0053   -0.0375    0.0000   -0.0001    0.0004   -0.0004
x    -0.0054    0.0000   -0.0002    0.0001    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  -10.0881    5.9300   -1.9406   -0.4206   19.2926   -0.6584    0.2077    0.0658   -0.1057
y    -2.7063   -0.0089    0.0017   -0.0451    0.0969   -2.3453    0.0476   -0.0343    0.0117    0.0024
y    -0.0854   -0.0055    0.0083   -0.0079    0.0053   -0.0375    0.0000   -0.0001    0.0004   -0.0004
y    -0.0054    0.0000   -0.0002    0.0001    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 -205.3020  188.8618 -170.1612  154.0955 -140.4320  126.5337 -111.0493   94.7709  -79.0974
z    64.7244  -51.7859   40.5546  -31.5132   24.8013  -19.8795   15.8761  -12.2213    8.9106   -6.2241
z     4.2944   -2.9628    1.9639   -1.1547    0.5443   -0.1595   -0.0592    0.2212   -0.3848    0.5197
z    -0.5684    0.5239   -0.4400    0.3764   -0.3482    0.3298   -0.2952    0.2451   -0.1976    0.1644
z    -0.1416    0.1197   -0.0958    0.0748   -0.0611    0.0533   -0.0469    0.0391   -0.0313    0.0258
z    -0.0227    0.0203   -0.0173    0.0141   -0.0113    0.0093   -0.0076    0.0058   -0.0043    0.0032
z    -0.0022    0.0013   -0.0004   -0.0002    0.0004   -0.0004    0.0005   -0.0008    0.0009   -0.0007
z     0.0004   -0.0002    0.0001   -0.0001    0.0000    0.0002   -0.0003    0.0003   -0.0003    0.0003
z    -0.0003    0.0003   -0.0002    0.0002   -0.0002    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001
z     0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 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
-10.939   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.268   0.000  -0.101   0.000   0.000   0.239   0.000
  0.041   0.000 -11.243   0.000  -0.024  -0.006   0.000   0.238
  0.000  -0.101   0.000 -11.151   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.936   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.238   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.226   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.199   0.000   0.000   0.000
  0.036   0.000   0.100   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.026   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.939   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.268   0.000  -0.101   0.000   0.000   0.239   0.000
  0.041   0.000 -11.243   0.000  -0.024  -0.006   0.000   0.238
  0.000  -0.101   0.000 -11.151   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.936   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.238   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.226   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.199   0.000   0.000   0.000
  0.036   0.000   0.100   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.026   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.960   0.000  -0.027   0.000   0.002   0.022   0.000   0.058   0.000  -0.014  -0.026   0.025   0.000  -0.001   0.000   0.000
  0.000   1.586   0.000  -0.148   0.000   0.000   0.594   0.000   0.260   0.000   0.000   0.000   0.160   0.000   0.106  -0.035
 -0.027   0.000   1.789   0.000   0.019   0.044   0.000   0.354   0.000  -0.027  -0.232  -0.043   0.000   0.096   0.000   0.000
  0.000  -0.148   0.000   1.756   0.000   0.000   0.260   0.000   0.294   0.000   0.000   0.000   0.108   0.000   0.039   0.005
  0.002   0.000   0.019   0.000   1.966  -0.014   0.000  -0.035   0.000   0.004   0.010  -0.015   0.000   0.003   0.000   0.000
  0.022   0.000   0.044   0.000  -0.014   0.063   0.000   0.101   0.000  -0.024   0.192  -0.053   0.000   0.115   0.000   0.000
  0.000   0.594   0.000   0.260   0.000   0.000   0.329   0.000   0.106   0.000   0.000   0.000   0.057   0.000   0.066  -0.011
  0.058   0.000   0.354   0.000  -0.035   0.101   0.000   0.561   0.000  -0.057   0.699  -0.292   0.000   0.087   0.000   0.000
  0.000   0.260   0.000   0.294   0.000   0.000   0.106   0.000   0.206   0.000   0.000   0.000   0.065   0.000  -0.019  -0.007
 -0.014   0.000  -0.027   0.000   0.004  -0.024   0.000  -0.057   0.000   0.036  -0.109   0.031   0.000  -0.068   0.000   0.000
 -0.026   0.000  -0.232   0.000   0.010   0.192   0.000   0.699   0.000  -0.109   1.350  -0.433   0.000   0.266   0.000   0.000
  0.025   0.000  -0.043   0.000  -0.015  -0.053   0.000  -0.292   0.000   0.031  -0.433   0.192   0.000  -0.034   0.000   0.000
  0.000   0.160   0.000   0.108   0.000   0.000   0.057   0.000   0.065   0.000   0.000   0.000   0.043   0.000   0.012  -0.004
 -0.001   0.000   0.096   0.000   0.003   0.115   0.000   0.087   0.000  -0.068   0.266  -0.034   0.000   0.308   0.000   0.000
  0.000   0.106   0.000   0.039   0.000   0.000   0.066   0.000  -0.019   0.000   0.000   0.000   0.012   0.000   0.031  -0.002
  0.000  -0.035   0.000   0.005   0.000   0.000  -0.011   0.000  -0.007   0.000   0.000   0.000  -0.004   0.000  -0.002   0.001
  0.001   0.000  -0.037   0.000  -0.001  -0.005   0.000  -0.009   0.000   0.003  -0.007   0.000   0.000  -0.014   0.000   0.000
  0.000   0.005   0.000  -0.041   0.000   0.000  -0.007   0.000  -0.004   0.000   0.000   0.000  -0.002   0.000  -0.002   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        0.638   0.276   8.026   8.941
  2        0.514   0.028   0.000   0.542
  3        0.514   0.028   0.000   0.542
  4        0.864   1.783   0.000   2.647
  5        0.864   1.783   0.000   2.646
  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   1.783   0.000   2.647
 10        0.864   1.784   0.000   2.648
 11        0.863   1.783   0.000   2.646
 12        0.864   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.646
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.863   1.777   0.000   2.640
 17        0.856   1.773   0.000   2.629
 18        0.864   1.784   0.000   2.648
 19        0.864   1.782   0.000   2.646
 20        0.864   1.782   0.000   2.646
 21        0.863   1.781   0.000   2.645
 22        0.863   1.776   0.000   2.640
 23        0.863   1.783   0.000   2.646
 24        0.864   1.783   0.000   2.647
 25        0.864   1.783   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   1.783   0.000   2.647
 29        0.864   1.783   0.000   2.647
 30        0.864   1.783   0.000   2.647
 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   2.646
 34        0.864   1.782   0.000   2.646
 35        0.863   1.783   0.000   2.646
 36        0.863   1.776   0.000   2.640
 37        0.863   1.781   0.000   2.645
 38        0.864   1.782   0.000   2.646
 39        0.864   1.784   0.000   2.648
 40        0.864   1.784   0.000   2.648
 41        0.856   1.773   0.000   2.629
 42        0.863   1.777   0.000   2.640
 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   2.646
 46        0.864   1.785   0.000   2.648
 47        0.863   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   1.783   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   1.783   0.000   2.646
------------------------------------------------
tot       44.832  89.439   8.026 142.298
 


 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  115.12: CPU time   58.00
    FORLOC:  VPU time    1.25: CPU time    1.26
    FORNL :  VPU time  444.44: CPU time  222.63
    STRESS:  VPU time 1335.40: CPU time  671.69
    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    0.18
 d Force =-0.1907630E-05[-0.139E-04, 0.101E-04]  d Energy =-0.3798094E-05 0.189E-05
 d Force =-0.6410325E+00[-0.641E+00,-0.641E+00]  d Ewald  = 0.8257308E+00-0.147E+01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.644863 eV

  energy  without entropy=     -471.644863  energy(sigma->0) =     -471.644863
 

  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    40734.74  40751.69 -47436.84     14.68      0.00      0.00
  Hartree  40200.39  40204.20 -39454.95      3.30      0.00      0.00
  E(xc)     -779.76   -779.56   -807.28      0.17      0.00      0.00
  Local   -83228.32 -83242.90  84209.11    -12.62      0.00      0.00
  n-local   -215.84   -215.73   -203.86     -0.16      0.00      0.00
  augment     22.09     20.52     17.36     -1.36      0.00      0.00
  Kinetic   3168.86   3171.48   3582.25     -6.19      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.12     -0.13     -0.28     -0.01      0.00      0.00
  in kB       -0.07     -0.08     -0.17     -0.01      0.00      0.00
  external pressure =       -0.11 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
    12.347071533  0.001742000  0.000000000     0.080984270  0.046741125  0.000000000
    -6.172033793 10.693744662  0.000000000    -0.000013192  0.093504998  0.000000000
     0.000000000  0.000000000 19.978175782     0.000000000  0.000000000  0.050054620

  length of vectors
    12.347071656 12.347071557 19.978175782     0.093504999  0.093504999  0.050054620


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.393E-05 -.457E-04 -.960E+03   0.432E-05 -.275E-04 0.968E+03   0.810E-21 -.291E-22 -.787E+01   -.277E-07 0.134E-07 -.406E-02
   -.175E+02 -.304E+02 -.136E+03   0.184E+02 0.318E+02 0.138E+03   -.828E+00 -.143E+01 -.258E+01   0.391E-04 0.666E-04 -.455E-03
   0.175E+02 0.304E+02 -.136E+03   -.184E+02 -.318E+02 0.138E+03   0.828E+00 0.143E+01 -.258E+01   -.391E-04 -.666E-04 -.455E-03
   -.196E+01 0.113E+01 0.170E+02   0.197E+01 -.114E+01 -.170E+02   -.916E-02 0.529E-02 -.883E-02   0.286E-03 -.168E-03 -.338E-02
   0.580E+01 0.689E+01 0.197E+02   -.581E+01 -.692E+01 -.197E+02   0.671E-02 0.336E-01 -.202E-01   -.105E-03 0.340E-03 -.315E-02
   0.112E+02 0.507E+01 0.184E+02   -.113E+02 -.509E+01 -.183E+02   0.263E-01 0.741E-02 -.546E-01   0.124E-03 0.154E-03 -.129E-02
   0.454E+01 -.100E+01 0.164E+02   -.456E+01 0.102E+01 -.164E+02   0.195E-01 -.187E-01 -.136E-02   0.193E-03 0.266E-04 -.540E-03
   -.291E+01 -.240E+01 0.150E+02   0.292E+01 0.241E+01 -.150E+02   -.156E-01 -.167E-01 -.154E-02   0.315E-03 0.205E-03 -.198E-02
   0.622E+00 0.372E+01 0.150E+02   -.627E+00 -.374E+01 -.150E+02   0.672E-02 0.219E-01 -.154E-02   -.250E-04 -.381E-03 -.198E-02
   0.273E+01 0.182E+02 0.247E+02   -.274E+01 -.183E+02 -.247E+02   0.100E-01 0.109E+00 -.518E-02   0.514E-04 -.201E-03 -.153E-02
   0.214E+02 0.226E+02 0.397E+02   -.216E+02 -.228E+02 -.397E+02   0.119E+00 0.228E+00 -.184E-01   0.217E-03 0.942E-03 0.198E-03
   0.265E+02 -.449E+01 0.269E+02   -.267E+02 0.461E+01 -.268E+02   0.236E+00 -.120E+00 -.582E-01   0.475E-03 0.257E-03 0.146E-03
   0.920E+01 -.531E+01 0.155E+02   -.922E+01 0.532E+01 -.155E+02   0.167E-01 -.965E-02 -.113E-03   -.132E-04 0.134E-05 -.114E-02
   0.314E+01 -.343E+01 0.164E+02   -.316E+01 0.344E+01 -.164E+02   0.260E-01 -.753E-02 -.136E-02   0.715E-04 -.185E-03 -.549E-03
   -.605E+01 0.132E+02 0.200E+02   0.606E+01 -.132E+02 -.199E+02   -.380E-02 0.746E-01 -.108E-01   0.204E-03 -.264E-03 -.154E-03
   -.123E+02 0.335E+02 0.460E+02   0.124E+02 -.342E+02 -.463E+02   -.903E-01 0.680E+00 0.344E+00   -.290E-03 0.807E-03 -.163E-03
   0.264E+02 -.152E+02 0.698E+02   -.273E+02 0.158E+02 -.719E+02   0.971E+00 -.561E+00 0.211E+01   -.124E-03 0.686E-04 -.131E-02
   0.171E+02 -.207E+02 0.269E+02   -.174E+02 0.209E+02 -.268E+02   0.222E+00 -.144E+00 -.582E-01   0.123E-04 -.547E-03 0.141E-03
   0.123E+01 -.123E+02 0.184E+02   -.123E+01 0.123E+02 -.183E+02   0.671E-02 -.264E-01 -.546E-01   -.678E-04 -.186E-03 -.130E-02
   -.388E+01 0.155E+01 0.144E+02   0.389E+01 -.155E+01 -.144E+02   -.629E-02 0.367E-02 -.412E-01   -.486E-04 0.302E-03 -.128E-02
   -.182E+02 0.105E+02 0.212E+02   0.182E+02 -.105E+02 -.210E+02   -.656E-01 0.379E-01 -.120E+00   -.103E-04 0.955E-05 -.362E-03
   -.351E+02 -.613E+01 0.460E+02   0.358E+02 0.639E+01 -.463E+02   -.634E+00 -.262E+00 0.344E+00   -.841E-03 -.153E-03 -.160E-03
   -.886E+01 -.299E+02 0.397E+02   0.901E+01 0.301E+02 -.397E+02   -.138E+00 -.217E+00 -.184E-01   -.704E-03 -.663E-03 0.196E-03
   -.307E+01 -.847E+01 0.197E+02   0.309E+01 0.849E+01 -.197E+02   -.257E-01 -.226E-01 -.202E-01   -.345E-03 -.808E-04 -.315E-02
   0.126E+01 -.727E+00 0.147E+02   -.126E+01 0.726E+00 -.147E+02   -.218E-02 0.126E-02 -.325E-01   -.172E-03 0.101E-03 -.268E-02
   -.328E+01 0.259E+01 0.144E+02   0.329E+01 -.259E+01 -.144E+02   -.633E-02 0.361E-02 -.412E-01   -.284E-03 -.104E-03 -.127E-02
   -.144E+02 -.134E+01 0.200E+02   0.145E+02 0.137E+01 -.199E+02   -.665E-01 -.340E-01 -.108E-01   0.332E-03 -.457E-04 -.147E-03
   -.144E+02 -.115E+02 0.247E+02   0.145E+02 0.115E+02 -.247E+02   -.891E-01 -.630E-01 -.518E-02   0.202E-03 0.508E-04 -.153E-02
   0.307E+01 0.847E+01 0.197E+02   -.309E+01 -.849E+01 -.197E+02   0.257E-01 0.226E-01 -.202E-01   0.345E-03 0.808E-04 -.315E-02
   0.144E+02 0.115E+02 0.247E+02   -.145E+02 -.115E+02 -.247E+02   0.891E-01 0.630E-01 -.518E-02   -.202E-03 -.508E-04 -.153E-02
   0.144E+02 0.134E+01 0.200E+02   -.145E+02 -.137E+01 -.199E+02   0.665E-01 0.340E-01 -.108E-01   -.332E-03 0.457E-04 -.147E-03
   0.328E+01 -.259E+01 0.144E+02   -.329E+01 0.259E+01 -.144E+02   0.633E-02 -.361E-02 -.412E-01   0.284E-03 0.104E-03 -.127E-02
   -.126E+01 0.727E+00 0.147E+02   0.126E+01 -.726E+00 -.147E+02   0.218E-02 -.126E-02 -.325E-01   0.172E-03 -.101E-03 -.268E-02
   -.123E+01 0.123E+02 0.184E+02   0.123E+01 -.123E+02 -.183E+02   -.671E-02 0.264E-01 -.546E-01   0.678E-04 0.186E-03 -.130E-02
   0.886E+01 0.299E+02 0.397E+02   -.901E+01 -.301E+02 -.397E+02   0.138E+00 0.217E+00 -.184E-01   0.704E-03 0.663E-03 0.196E-03
   0.351E+02 0.613E+01 0.460E+02   -.358E+02 -.639E+01 -.463E+02   0.634E+00 0.262E+00 0.344E+00   0.841E-03 0.153E-03 -.160E-03
   0.182E+02 -.105E+02 0.212E+02   -.182E+02 0.105E+02 -.210E+02   0.656E-01 -.379E-01 -.120E+00   0.103E-04 -.955E-05 -.362E-03
   0.388E+01 -.155E+01 0.144E+02   -.389E+01 0.155E+01 -.144E+02   0.629E-02 -.367E-02 -.412E-01   0.486E-04 -.302E-03 -.128E-02
   -.314E+01 0.343E+01 0.164E+02   0.316E+01 -.344E+01 -.164E+02   -.260E-01 0.753E-02 -.136E-02   -.715E-04 0.185E-03 -.549E-03
   -.171E+02 0.207E+02 0.269E+02   0.174E+02 -.209E+02 -.268E+02   -.222E+00 0.144E+00 -.582E-01   -.123E-04 0.547E-03 0.141E-03
   -.264E+02 0.152E+02 0.698E+02   0.273E+02 -.158E+02 -.719E+02   -.971E+00 0.561E+00 0.211E+01   0.124E-03 -.686E-04 -.131E-02
   0.123E+02 -.335E+02 0.460E+02   -.124E+02 0.342E+02 -.463E+02   0.903E-01 -.680E+00 0.344E+00   0.290E-03 -.807E-03 -.163E-03
   0.605E+01 -.132E+02 0.200E+02   -.606E+01 0.132E+02 -.199E+02   0.380E-02 -.746E-01 -.108E-01   -.204E-03 0.264E-03 -.154E-03
   -.622E+00 -.372E+01 0.150E+02   0.627E+00 0.374E+01 -.150E+02   -.672E-02 -.219E-01 -.154E-02   0.250E-04 0.381E-03 -.198E-02
   -.920E+01 0.531E+01 0.155E+02   0.922E+01 -.532E+01 -.155E+02   -.167E-01 0.965E-02 -.113E-03   0.132E-04 -.136E-05 -.114E-02
   -.265E+02 0.449E+01 0.269E+02   0.267E+02 -.461E+01 -.268E+02   -.236E+00 0.120E+00 -.582E-01   -.475E-03 -.257E-03 0.146E-03
   -.214E+02 -.226E+02 0.397E+02   0.216E+02 0.228E+02 -.397E+02   -.119E+00 -.228E+00 -.184E-01   -.217E-03 -.942E-03 0.198E-03
   -.273E+01 -.182E+02 0.247E+02   0.274E+01 0.183E+02 -.247E+02   -.100E-01 -.109E+00 -.518E-02   -.514E-04 0.201E-03 -.153E-02
   0.196E+01 -.113E+01 0.170E+02   -.197E+01 0.114E+01 -.170E+02   0.916E-02 -.529E-02 -.883E-02   -.286E-03 0.168E-03 -.338E-02
   0.291E+01 0.240E+01 0.150E+02   -.292E+01 -.241E+01 -.150E+02   0.156E-01 0.167E-01 -.154E-02   -.315E-03 -.205E-03 -.198E-02
   -.454E+01 0.100E+01 0.164E+02   0.456E+01 -.102E+01 -.164E+02   -.195E-01 0.187E-01 -.136E-02   -.193E-03 -.266E-04 -.540E-03
   -.112E+02 -.507E+01 0.184E+02   0.113E+02 0.509E+01 -.183E+02   -.263E-01 -.741E-02 -.546E-01   -.124E-03 -.154E-03 -.129E-02
   -.580E+01 -.689E+01 0.197E+02   0.581E+01 0.692E+01 -.197E+02   -.671E-02 -.336E-01 -.202E-01   0.105E-03 -.340E-03 -.315E-02
 -----------------------------------------------------------------------------------------------
   -.182E-02 0.307E-03 0.867E+01   -.306E-12 -.270E-12 -.433E-12   0.205E-15 0.416E-16 -.860E+01   -.333E-07 0.156E-07 -.617E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85291      6.06054     12.33579         0.000000      0.000000      0.040512
      2.26106      6.76748     13.65489        -0.000186     -0.000322     -0.004466
      1.44476      5.35361     13.65489         0.000186      0.000322     -0.004466
      0.00057     -0.00033      9.95794        -0.000137      0.000079     -0.005428
     11.11185      2.13931      9.95966         0.000930      0.000716     -0.003625
      9.87635      4.27883      9.97164         0.002674     -0.005230     -0.000734
      8.64316      6.41805      9.97077        -0.001328     -0.004141      0.000568
     -4.93595      8.55511      9.96626        -0.001636     -0.002950     -0.002175
      2.47016     -0.00116      9.96626         0.001737      0.002892     -0.002175
      1.23469      2.13605      9.97122         0.002507     -0.005156      0.001577
     -0.00399      4.27468     10.00016         0.004989     -0.001217     -0.000426
     -1.23832      6.41571     10.00595         0.000480     -0.001401      0.000092
     -2.46688      8.55457      9.97890        -0.004331      0.002501     -0.002248
      4.93843      0.00126      9.97077         0.002922      0.003220      0.000568
      3.70471      2.13643      9.97891         0.004147      0.000899     -0.000129
      2.47064      4.26300     10.04354         0.002703     -0.002359     -0.001815
      1.22841      6.42110     10.11426         0.005221     -0.003014      0.008619
     -0.00029      8.56004     10.00595         0.001453      0.000285      0.000092
      7.40764      0.00291      9.97164         0.005866      0.000299     -0.000734
      6.17319      2.14003      9.97178         0.001362      0.003053     -0.001491
      4.94024      4.27807      9.99977        -0.004091      0.002362      0.003442
      3.71849      6.42435     10.04354         0.003395     -0.001161     -0.001815
      2.47106      8.56160     10.00016         0.003549     -0.003712     -0.000426
      9.87827      0.00269      9.95966        -0.000156     -0.001163     -0.003625
      8.64242      2.14062      9.96267        -0.000012      0.000007     -0.003859
      7.40832      4.27934      9.97178        -0.001963     -0.002705     -0.001491
      6.17719      6.41889      9.97891         0.001295     -0.004042     -0.000129
      4.94251      8.55819      9.97122         0.005719      0.000407      0.001577
     -0.00041      1.42466      9.95966         0.000156      0.001163     -0.003625
     -1.23669      3.56290      9.97122        -0.005719     -0.000407      0.001577
     -2.47137      5.70219      9.97891        -0.001295      0.004042     -0.000129
     -3.70249      7.84175      9.97178         0.001963      0.002705     -0.001491
     -4.93659      9.98046      9.96267         0.000012     -0.000007     -0.003859
      2.47021      1.42444      9.97164        -0.005866     -0.000299     -0.000734
      1.23476      3.55949     10.00016        -0.003549      0.003712     -0.000426
     -0.01267      5.69674     10.04354        -0.003395      0.001161     -0.001815
     -1.23442      7.84301      9.99977         0.004091     -0.002362      0.003442
     -2.46736      9.98106      9.97178        -0.001362     -0.003053     -0.001491
      4.93943      1.42608      9.97077        -0.002922     -0.003220      0.000568
      3.70612      3.56104     10.00595        -0.001453     -0.000285      0.000092
      2.47741      5.69999     10.11426        -0.005221      0.003014      0.008619
      1.23519      7.85809     10.04354        -0.002703      0.002359     -0.001815
      0.00111      9.98466      9.97891        -0.004147     -0.000899     -0.000129
      7.40770      1.42850      9.96626        -0.001737     -0.002892     -0.002175
      6.17270      3.56651      9.97890         0.004331     -0.002501     -0.002248
      4.94414      5.70537     10.00595        -0.000480      0.001401      0.000092
      3.70981      7.84641     10.00016        -0.004989      0.001217     -0.000426
      2.47114      9.98504      9.97122        -0.002507      0.005156      0.001577
      9.87729      1.42767      9.95794         0.000137     -0.000079     -0.005428
      8.64177      3.56598      9.96626         0.001636      0.002950     -0.002175
      7.40973      5.70478      9.97077         0.001328      0.004141      0.000568
      6.17655      7.84400      9.97164        -0.002674      0.005230     -0.000734
      4.94104      9.98352      9.95966        -0.000930     -0.000716     -0.003625
 -----------------------------------------------------------------------------------
    total drift:                               -0.001815      0.000307      0.005021


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




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


    WAVPRE:  VPU time    1.94: CPU time    1.94
    FEWALD:  VPU time    0.02: CPU time    0.01
    GENKIN:  VPU time    1.34: CPU time    1.34
    ORTHCH:  VPU time  183.82: CPU time   92.31
     LOOP+:  VPU time 4870.91: CPU time 2494.23


----------------------------------------- Iteration   20(   1)  ---------------------------------------


    POTLOK:  VPU time    9.19: CPU time    9.05
    SETDIJ:  VPU time    0.35: CPU time    0.34
    EDDAV :  VPU time 1730.45: CPU time  902.77
 BZINTS: Fermi energy: -3.156085;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  114.01: CPU time   57.54
    MIXING:  VPU time    0.16: CPU time    0.16
    ------------------------------------------
      LOOP:  VPU time 1854.21: CPU time  969.89

 eigenvalue-minimisations  :  5568
 total energy-change (2. order) :-0.4716449E+03  (-0.6934209E-04)
 number of electron  212.0000030 magnetization    0.0000000
 augmentation part     7.9608759 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.47635E-03    rms(broyden)= 0.47610E-03
  rms(prec ) = 0.51654E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34050.04607914
  -1/2 Hartree   DENC   =    -40949.96998991
  -V(xc)+E(xc)   XCENC  =       726.61853470
  PAW double counting   =      4093.05129202    -4131.42845513
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.40217864
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64486422 eV

  energy without entropy =     -471.64486422  energy(sigma->0) =     -471.64486422


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




----------------------------------------- Iteration   20(   2)  ---------------------------------------


    POTLOK:  VPU time    9.03: CPU time    9.03
    SETDIJ:  VPU time    0.34: CPU time    0.33
    EDDAV :  VPU time 1338.32: CPU time  693.65
 BZINTS: Fermi energy: -3.156640;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1347.73: CPU time  703.05

 eigenvalue-minimisations  :  3824
 total energy-change (2. order) :-0.5892907E-06  (-0.1217195E-05)
 number of electron  212.0000030 magnetization    0.0000000
 augmentation part     7.9608759 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34050.04607914
  -1/2 Hartree   DENC   =    -40949.98829137
  -V(xc)+E(xc)   XCENC  =       726.61919895
  PAW double counting   =      4093.05369873    -4131.43054575
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.38485811
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64486480 eV

  energy without entropy =     -471.64486480  energy(sigma->0) =     -471.64486480


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




 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 -58.5364       2 -39.9765       3 -39.9765       4 -58.2447       5 -58.2492
       6 -58.2564       7 -58.2472       8 -58.2454       9 -58.2454      10 -58.2613
      11 -58.3162      12 -58.2929      13 -58.2503      14 -58.2472      15 -58.2582
      16 -58.4385      17 -58.7322      18 -58.2929      19 -58.2564      20 -58.2508
      21 -58.2779      22 -58.4385      23 -58.3162      24 -58.2492      25 -58.2442
      26 -58.2508      27 -58.2582      28 -58.2613      29 -58.2491      30 -58.2612
      31 -58.2580      32 -58.2507      33 -58.2442      34 -58.2563      35 -58.3161
      36 -58.4384      37 -58.2778      38 -58.2507      39 -58.2471      40 -58.2928
      41 -58.7320      42 -58.4384      43 -58.2580      44 -58.2453      45 -58.2502
      46 -58.2928      47 -58.3161      48 -58.2612      49 -58.2446      50 -58.2453
      51 -58.2471      52 -58.2563      53 -58.2491
 
 
 
 E-fermi :  -3.1566     XC(G=0):  -2.3455     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     -22.3579      1.00000
      2     -21.5381      1.00000
      3     -21.4084      1.00000
      4     -21.4074      1.00000
      5     -21.3761      1.00000
      6     -21.3670      1.00000
      7     -21.3597      1.00000
      8     -19.6474      1.00000
      9     -19.5735      1.00000
     10     -19.5663      1.00000
     11     -19.5595      1.00000
     12     -19.5414      1.00000
     13     -19.5388      1.00000
     14     -18.7289      1.00000
     15     -18.6810      1.00000
     16     -18.6729      1.00000
     17     -18.6599      1.00000
     18     -18.6446      1.00000
     19     -18.6425      1.00000
     20     -16.5862      1.00000
     21     -16.5276      1.00000
     22     -16.5252      1.00000
     23     -16.5118      1.00000
     24     -16.4875      1.00000
     25     -16.4860      1.00000
     26     -15.5594      1.00000
     27     -15.5279      1.00000
     28     -15.5270      1.00000
     29     -15.5010      1.00000
     30     -15.4951      1.00000
     31     -15.4900      1.00000
     32     -14.2067      1.00000
     33     -14.1813      1.00000
     34     -14.1689      1.00000
     35     -14.1661      1.00000
     36     -14.1607      1.00000
     37     -14.1494      1.00000
     38     -11.8836      1.00000
     39     -11.8088      1.00000
     40     -11.7930      1.00000
     41     -11.7928      1.00000
     42     -11.7890      1.00000
     43     -11.7836      1.00000
     44     -11.7058      1.00000
     45     -11.6990      1.00000
     46     -11.6735      1.00000
     47     -11.6592      1.00000
     48     -11.6583      1.00000
     49     -11.6516      1.00000
     50     -10.6735      1.00000
     51     -10.3295      1.00000
     52     -10.3220      1.00000
     53     -10.3067      1.00000
     54     -10.3046      1.00000
     55     -10.2922      1.00000
     56     -10.2791      1.00000
     57      -9.9268      1.00000
     58      -9.3738      1.00000
     59      -9.3603      1.00000
     60      -9.3012      1.00000
     61      -9.2930      1.00000
     62      -9.2862      1.00000
     63      -9.0924      1.00000
     64      -9.0558      1.00000
     65      -9.0498      1.00000
     66      -9.0277      1.00000
     67      -9.0076      1.00000
     68      -9.0018      1.00000
     69      -9.0013      1.00000
     70      -8.9962      1.00000
     71      -8.9926      1.00000
     72      -8.9729      1.00000
     73      -8.9650      1.00000
     74      -8.9552      1.00000
     75      -8.4938      1.00000
     76      -7.5141      1.00000
     77      -7.4114      1.00000
     78      -7.4102      1.00000
     79      -7.4005      1.00000
     80      -7.3837      1.00000
     81      -7.3650      1.00000
     82      -7.3414      1.00000
     83      -7.3108      1.00000
     84      -7.2693      1.00000
     85      -7.2076      1.00000
     86      -7.1810      1.00000
     87      -7.1808      1.00000
     88      -7.0751      1.00000
     89      -6.5089      1.00000
     90      -6.4616      1.00000
     91      -6.3557      1.00000
     92      -6.2944      1.00000
     93      -6.2884      1.00000
     94      -6.2875      1.00000
     95      -5.8967      1.00000
     96      -5.8861      1.00000
     97      -5.0448      1.00000
     98      -4.9367      1.00000
     99      -4.5393      1.00000
    100      -4.3413      1.00000
    101      -4.3186      1.00000
    102      -4.3177      1.00000
    103      -4.1152      1.00000
    104      -3.9119      1.00000
    105      -3.9013      1.00000
    106      -3.8311      1.00000
    107      -1.6826      0.00000
    108      -1.6674      0.00000
    109      -1.5374      0.00000
    110      -1.5350      0.00000
    111      -1.5237      0.00000
    112      -1.5095      0.00000
    113      -0.5882      0.00000
    114       0.1344      0.00000
    115       0.2066      0.00000
    116       0.3246      0.00000
    117       0.3262      0.00000
    118       0.3338      0.00000
    119       0.4941      0.00000
    120       0.5927      0.00000
    121       1.2579      0.00000
    122       1.2683      0.00000
    123       1.5221      0.00000
    124       1.7960      0.00000
    125       1.8012      0.00000
    126       1.8046      0.00000
    127       1.8091      0.00000
    128       1.9453      0.00000
    129       1.9767      0.00000
    130       2.0315      0.00000
    131       2.0456      0.00000
    132       2.0508      0.00000
    133       2.0549      0.00000
    134       2.0574      0.00000
    135       2.3020      0.00000
    136       2.3250      0.00000
    137       2.6071      0.00000
    138       2.6145      0.00000
    139       2.6421      0.00000
    140       2.7188      0.00000
    141       2.8584      0.00000
    142       3.0275      0.00000
    143       3.0557      0.00000
    144       3.0894      0.00000
    145       3.0971      0.00000
    146       3.1004      0.00000
    147       3.1009      0.00000
    148       3.2274      0.00000
    149       3.4471      0.00000
    150       3.5363      0.00000
    151       3.7888      0.00000
    152       3.9452      0.00000
    153       3.9469      0.00000
    154       3.9523      0.00000
    155       3.9577      0.00000
    156       3.9964      0.00000
    157       4.1772      0.00000
    158       4.2632      0.00000
    159       4.2854      0.00000
    160       4.2861      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3213      1.00000
      2     -21.7627      1.00000
      3     -21.5719      1.00000
      4     -21.5391      1.00000
      5     -21.2090      1.00000
      6     -21.1642      1.00000
      7     -20.9884      1.00000
      8     -20.1029      1.00000
      9     -20.0588      1.00000
     10     -19.5473      1.00000
     11     -19.5228      1.00000
     12     -19.3503      1.00000
     13     -19.0257      1.00000
     14     -18.9907      1.00000
     15     -18.9826      1.00000
     16     -18.9702      1.00000
     17     -18.2984      1.00000
     18     -18.2791      1.00000
     19     -17.9531      1.00000
     20     -17.0105      1.00000
     21     -16.9606      1.00000
     22     -16.8796      1.00000
     23     -16.8695      1.00000
     24     -16.4056      1.00000
     25     -16.3909      1.00000
     26     -15.5525      1.00000
     27     -15.5371      1.00000
     28     -15.1983      1.00000
     29     -15.1701      1.00000
     30     -15.1159      1.00000
     31     -15.0289      1.00000
     32     -15.0039      1.00000
     33     -14.6370      1.00000
     34     -14.6253      1.00000
     35     -13.6680      1.00000
     36     -13.6528      1.00000
     37     -13.1706      1.00000
     38     -12.5517      1.00000
     39     -12.5186      1.00000
     40     -12.3921      1.00000
     41     -12.3792      1.00000
     42     -12.0577      1.00000
     43     -12.0349      1.00000
     44     -11.6598      1.00000
     45     -11.6178      1.00000
     46     -11.1806      1.00000
     47     -11.1578      1.00000
     48     -10.9655      1.00000
     49     -10.9419      1.00000
     50     -10.8740      1.00000
     51     -10.8381      1.00000
     52     -10.6031      1.00000
     53     -10.0940      1.00000
     54     -10.0899      1.00000
     55     -10.0467      1.00000
     56      -9.9712      1.00000
     57      -9.6546      1.00000
     58      -9.6304      1.00000
     59      -9.5928      1.00000
     60      -9.5303      1.00000
     61      -9.5110      1.00000
     62      -9.4802      1.00000
     63      -9.2647      1.00000
     64      -9.2422      1.00000
     65      -9.2218      1.00000
     66      -9.1667      1.00000
     67      -9.0694      1.00000
     68      -9.0481      1.00000
     69      -9.0414      1.00000
     70      -8.8835      1.00000
     71      -8.8067      1.00000
     72      -8.5765      1.00000
     73      -8.5230      1.00000
     74      -8.4579      1.00000
     75      -8.0360      1.00000
     76      -7.8117      1.00000
     77      -7.8076      1.00000
     78      -7.7928      1.00000
     79      -7.7012      1.00000
     80      -7.6914      1.00000
     81      -7.3637      1.00000
     82      -7.2744      1.00000
     83      -7.2649      1.00000
     84      -7.2163      1.00000
     85      -7.1735      1.00000
     86      -7.0094      1.00000
     87      -6.9475      1.00000
     88      -6.7472      1.00000
     89      -6.6729      1.00000
     90      -6.5950      1.00000
     91      -6.5601      1.00000
     92      -6.0511      1.00000
     93      -6.0475      1.00000
     94      -6.0220      1.00000
     95      -5.9593      1.00000
     96      -5.7372      1.00000
     97      -5.1542      1.00000
     98      -4.9895      1.00000
     99      -4.7191      1.00000
    100      -4.6116      1.00000
    101      -4.4396      1.00000
    102      -4.3736      1.00000
    103      -4.1216      1.00000
    104      -3.8678      1.00000
    105      -3.8313      1.00000
    106      -3.7907      1.00000
    107      -1.7850      0.00000
    108      -1.7391      0.00000
    109      -1.3956      0.00000
    110      -1.3458      0.00000
    111      -1.2652      0.00000
    112      -1.2263      0.00000
    113      -0.7466      0.00000
    114      -0.3804      0.00000
    115      -0.2199      0.00000
    116      -0.0199      0.00000
    117       0.5877      0.00000
    118       0.7361      0.00000
    119       0.7644      0.00000
    120       1.0496      0.00000
    121       1.1413      0.00000
    122       1.2494      0.00000
    123       1.2680      0.00000
    124       1.4109      0.00000
    125       1.4767      0.00000
    126       1.5808      0.00000
    127       1.7558      0.00000
    128       1.8395      0.00000
    129       1.8967      0.00000
    130       1.9576      0.00000
    131       2.1032      0.00000
    132       2.2307      0.00000
    133       2.2473      0.00000
    134       2.2924      0.00000
    135       2.4876      0.00000
    136       2.6101      0.00000
    137       2.6364      0.00000
    138       2.7641      0.00000
    139       2.7952      0.00000
    140       2.8581      0.00000
    141       2.8666      0.00000
    142       2.8928      0.00000
    143       2.9580      0.00000
    144       3.0774      0.00000
    145       3.2783      0.00000
    146       3.3022      0.00000
    147       3.3770      0.00000
    148       3.4085      0.00000
    149       3.4646      0.00000
    150       3.5843      0.00000
    151       3.6370      0.00000
    152       3.6691      0.00000
    153       3.7070      0.00000
    154       3.9033      0.00000
    155       3.9389      0.00000
    156       3.9797      0.00000
    157       4.0808      0.00000
    158       4.2001      0.00000
    159       4.2434      0.00000
    160       4.2945      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2156      1.00000
      2     -22.0093      1.00000
      3     -21.6506      1.00000
      4     -21.6135      1.00000
      5     -20.9143      1.00000
      6     -20.8679      1.00000
      7     -20.5469      1.00000
      8     -20.5076      1.00000
      9     -20.4972      1.00000
     10     -19.9648      1.00000
     11     -19.4435      1.00000
     12     -19.4166      1.00000
     13     -19.2427      1.00000
     14     -19.2283      1.00000
     15     -18.3852      1.00000
     16     -18.3411      1.00000
     17     -17.8610      1.00000
     18     -17.8400      1.00000
     19     -17.6990      1.00000
     20     -17.6564      1.00000
     21     -17.3731      1.00000
     22     -17.3570      1.00000
     23     -17.2753      1.00000
     24     -16.4021      1.00000
     25     -16.3874      1.00000
     26     -15.8979      1.00000
     27     -15.3533      1.00000
     28     -15.3383      1.00000
     29     -15.0355      1.00000
     30     -15.0220      1.00000
     31     -14.8002      1.00000
     32     -14.7757      1.00000
     33     -14.2230      1.00000
     34     -14.1908      1.00000
     35     -13.3720      1.00000
     36     -13.3381      1.00000
     37     -13.1205      1.00000
     38     -13.1032      1.00000
     39     -12.9176      1.00000
     40     -12.9043      1.00000
     41     -12.5574      1.00000
     42     -12.5395      1.00000
     43     -12.1341      1.00000
     44     -11.5225      1.00000
     45     -11.4747      1.00000
     46     -11.2542      1.00000
     47     -11.2207      1.00000
     48     -11.0804      1.00000
     49     -10.6586      1.00000
     50     -10.5896      1.00000
     51     -10.5241      1.00000
     52     -10.2592      1.00000
     53     -10.2499      1.00000
     54     -10.1234      1.00000
     55     -10.0495      1.00000
     56     -10.0418      1.00000
     57      -9.7701      1.00000
     58      -9.7067      1.00000
     59      -9.6808      1.00000
     60      -9.6310      1.00000
     61      -9.6277      1.00000
     62      -9.5891      1.00000
     63      -9.2953      1.00000
     64      -9.2862      1.00000
     65      -9.2537      1.00000
     66      -9.0868      1.00000
     67      -8.8983      1.00000
     68      -8.8839      1.00000
     69      -8.7258      1.00000
     70      -8.5890      1.00000
     71      -8.5145      1.00000
     72      -8.3317      1.00000
     73      -8.3036      1.00000
     74      -8.2650      1.00000
     75      -8.2339      1.00000
     76      -8.1955      1.00000
     77      -8.1866      1.00000
     78      -8.1713      1.00000
     79      -8.0994      1.00000
     80      -7.6892      1.00000
     81      -7.3563      1.00000
     82      -7.3110      1.00000
     83      -7.2654      1.00000
     84      -7.1878      1.00000
     85      -7.1259      1.00000
     86      -7.0776      1.00000
     87      -6.9078      1.00000
     88      -6.8832      1.00000
     89      -6.5495      1.00000
     90      -6.4933      1.00000
     91      -6.2099      1.00000
     92      -6.0701      1.00000
     93      -5.9422      1.00000
     94      -5.7149      1.00000
     95      -5.6337      1.00000
     96      -5.4532      1.00000
     97      -5.3053      1.00000
     98      -5.2349      1.00000
     99      -5.1529      1.00000
    100      -5.1521      1.00000
    101      -4.5209      1.00000
    102      -4.4699      1.00000
    103      -4.1419      1.00000
    104      -3.8345      1.00000
    105      -3.7569      1.00000
    106      -3.6802      1.00000
    107      -1.8708      0.00000
    108      -1.8245      0.00000
    109      -1.2786      0.00000
    110      -1.0357      0.00000
    111      -1.0124      0.00000
    112      -0.7134      0.00000
    113      -0.6397      0.00000
    114      -0.5886      0.00000
    115      -0.5464      0.00000
    116      -0.2048      0.00000
    117       0.2522      0.00000
    118       0.2784      0.00000
    119       0.7571      0.00000
    120       0.9424      0.00000
    121       1.1323      0.00000
    122       1.2256      0.00000
    123       1.3180      0.00000
    124       1.4090      0.00000
    125       1.5985      0.00000
    126       1.6332      0.00000
    127       1.6975      0.00000
    128       1.8229      0.00000
    129       1.9153      0.00000
    130       2.0084      0.00000
    131       2.1084      0.00000
    132       2.3282      0.00000
    133       2.3951      0.00000
    134       2.4289      0.00000
    135       2.5364      0.00000
    136       2.6328      0.00000
    137       2.7581      0.00000
    138       2.8202      0.00000
    139       2.8302      0.00000
    140       2.8872      0.00000
    141       3.0426      0.00000
    142       3.0877      0.00000
    143       3.1825      0.00000
    144       3.2356      0.00000
    145       3.3837      0.00000
    146       3.4205      0.00000
    147       3.4796      0.00000
    148       3.5740      0.00000
    149       3.5992      0.00000
    150       3.6267      0.00000
    151       3.6493      0.00000
    152       3.7402      0.00000
    153       3.7698      0.00000
    154       3.7833      0.00000
    155       3.8086      0.00000
    156       3.8923      0.00000
    157       3.9743      0.00000
    158       4.0042      0.00000
    159       4.1735      0.00000
    160       4.2371      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2494      1.00000
      2     -21.8950      1.00000
      3     -21.8244      1.00000
      4     -21.3130      1.00000
      5     -21.2827      1.00000
      6     -20.7717      1.00000
      7     -20.7059      1.00000
      8     -20.5575      1.00000
      9     -20.0100      1.00000
     10     -20.0025      1.00000
     11     -19.6490      1.00000
     12     -19.6247      1.00000
     13     -18.9305      1.00000
     14     -18.9221      1.00000
     15     -18.5717      1.00000
     16     -18.5574      1.00000
     17     -18.3950      1.00000
     18     -17.6157      1.00000
     19     -17.5596      1.00000
     20     -17.5547      1.00000
     21     -17.5131      1.00000
     22     -17.0570      1.00000
     23     -17.0387      1.00000
     24     -16.8921      1.00000
     25     -15.9304      1.00000
     26     -15.8681      1.00000
     27     -15.5175      1.00000
     28     -15.5167      1.00000
     29     -15.2288      1.00000
     30     -14.7957      1.00000
     31     -14.7679      1.00000
     32     -14.5160      1.00000
     33     -14.4721      1.00000
     34     -14.1020      1.00000
     35     -14.0913      1.00000
     36     -13.0771      1.00000
     37     -13.0343      1.00000
     38     -12.9676      1.00000
     39     -12.9555      1.00000
     40     -12.6461      1.00000
     41     -12.6395      1.00000
     42     -12.2749      1.00000
     43     -12.2437      1.00000
     44     -11.5874      1.00000
     45     -11.5608      1.00000
     46     -11.5070      1.00000
     47     -10.9043      1.00000
     48     -10.8517      1.00000
     49     -10.6209      1.00000
     50     -10.5602      1.00000
     51     -10.4860      1.00000
     52     -10.4342      1.00000
     53     -10.4246      1.00000
     54     -10.3718      1.00000
     55     -10.2950      1.00000
     56     -10.0657      1.00000
     57      -9.8343      1.00000
     58      -9.5493      1.00000
     59      -9.4895      1.00000
     60      -9.4701      1.00000
     61      -9.3467      1.00000
     62      -9.3314      1.00000
     63      -9.3114      1.00000
     64      -9.3095      1.00000
     65      -9.2152      1.00000
     66      -9.1120      1.00000
     67      -9.0807      1.00000
     68      -9.0499      1.00000
     69      -8.8474      1.00000
     70      -8.7932      1.00000
     71      -8.7745      1.00000
     72      -8.5281      1.00000
     73      -8.4758      1.00000
     74      -8.2212      1.00000
     75      -8.1099      1.00000
     76      -8.0999      1.00000
     77      -7.8080      1.00000
     78      -7.7849      1.00000
     79      -7.7823      1.00000
     80      -7.6738      1.00000
     81      -7.6325      1.00000
     82      -7.6305      1.00000
     83      -7.4014      1.00000
     84      -7.3255      1.00000
     85      -7.1998      1.00000
     86      -6.8396      1.00000
     87      -6.8297      1.00000
     88      -6.6621      1.00000
     89      -6.5393      1.00000
     90      -6.3453      1.00000
     91      -6.3081      1.00000
     92      -6.1846      1.00000
     93      -6.1473      1.00000
     94      -5.9782      1.00000
     95      -5.5727      1.00000
     96      -5.4268      1.00000
     97      -5.2594      1.00000
     98      -5.2486      1.00000
     99      -5.1497      1.00000
    100      -4.6960      1.00000
    101      -4.6653      1.00000
    102      -4.3488      1.00000
    103      -4.3142      1.00000
    104      -3.9635      1.00000
    105      -3.8275      1.00000
    106      -3.3903      1.00000
    107      -2.2201      0.00000
    108      -1.3765      0.00000
    109      -1.2874      0.00000
    110      -1.1737      0.00000
    111      -1.0787      0.00000
    112      -0.8943      0.00000
    113      -0.7687      0.00000
    114      -0.7576      0.00000
    115      -0.2211      0.00000
    116       0.1140      0.00000
    117       0.2637      0.00000
    118       0.3457      0.00000
    119       0.7312      0.00000
    120       0.9047      0.00000
    121       0.9712      0.00000
    122       1.0917      0.00000
    123       1.2032      0.00000
    124       1.5281      0.00000
    125       1.5599      0.00000
    126       1.7105      0.00000
    127       1.8374      0.00000
    128       1.8617      0.00000
    129       1.9685      0.00000
    130       1.9933      0.00000
    131       2.1593      0.00000
    132       2.2638      0.00000
    133       2.4537      0.00000
    134       2.4668      0.00000
    135       2.5089      0.00000
    136       2.6661      0.00000
    137       2.6853      0.00000
    138       2.7291      0.00000
    139       2.7434      0.00000
    140       2.8887      0.00000
    141       3.0198      0.00000
    142       3.0816      0.00000
    143       3.1962      0.00000
    144       3.2546      0.00000
    145       3.2568      0.00000
    146       3.2661      0.00000
    147       3.3578      0.00000
    148       3.4789      0.00000
    149       3.5252      0.00000
    150       3.6947      0.00000
    151       3.7496      0.00000
    152       3.7704      0.00000
    153       3.8351      0.00000
    154       3.8749      0.00000
    155       3.9400      0.00000
    156       3.9848      0.00000
    157       4.0246      0.00000
    158       4.0464      0.00000
    159       4.0549      0.00000
    160       4.0860      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1435      1.00000
      2     -22.0481      1.00000
      3     -21.8880      1.00000
      4     -21.3360      1.00000
      5     -20.9830      1.00000
      6     -20.9446      1.00000
      7     -20.4346      1.00000
      8     -20.3921      1.00000
      9     -20.2278      1.00000
     10     -20.2065      1.00000
     11     -19.8903      1.00000
     12     -19.8226      1.00000
     13     -18.8160      1.00000
     14     -18.7448      1.00000
     15     -18.2908      1.00000
     16     -18.2378      1.00000
     17     -18.0869      1.00000
     18     -18.0669      1.00000
     19     -17.7624      1.00000
     20     -17.7205      1.00000
     21     -17.1898      1.00000
     22     -17.1709      1.00000
     23     -17.1005      1.00000
     24     -17.0647      1.00000
     25     -16.0394      1.00000
     26     -15.8238      1.00000
     27     -15.8010      1.00000
     28     -15.7653      1.00000
     29     -15.1744      1.00000
     30     -14.4919      1.00000
     31     -14.4594      1.00000
     32     -14.2184      1.00000
     33     -13.8963      1.00000
     34     -13.8911      1.00000
     35     -13.7569      1.00000
     36     -13.7367      1.00000
     37     -13.5522      1.00000
     38     -13.5041      1.00000
     39     -13.3014      1.00000
     40     -12.5657      1.00000
     41     -12.1254      1.00000
     42     -12.0670      1.00000
     43     -12.0108      1.00000
     44     -11.9526      1.00000
     45     -11.6117      1.00000
     46     -11.5890      1.00000
     47     -11.0853      1.00000
     48     -11.0527      1.00000
     49     -10.7530      1.00000
     50     -10.6647      1.00000
     51     -10.5264      1.00000
     52     -10.1499      1.00000
     53     -10.1392      1.00000
     54     -10.0974      1.00000
     55      -9.9541      1.00000
     56      -9.9486      1.00000
     57      -9.9183      1.00000
     58      -9.7380      1.00000
     59      -9.7325      1.00000
     60      -9.7012      1.00000
     61      -9.6917      1.00000
     62      -9.4287      1.00000
     63      -9.3639      1.00000
     64      -9.0858      1.00000
     65      -9.0079      1.00000
     66      -8.9752      1.00000
     67      -8.8884      1.00000
     68      -8.8125      1.00000
     69      -8.6586      1.00000
     70      -8.6361      1.00000
     71      -8.5777      1.00000
     72      -8.4788      1.00000
     73      -8.4679      1.00000
     74      -8.3987      1.00000
     75      -8.3950      1.00000
     76      -8.1851      1.00000
     77      -8.1141      1.00000
     78      -7.9783      1.00000
     79      -7.9151      1.00000
     80      -7.8479      1.00000
     81      -7.6179      1.00000
     82      -7.5309      1.00000
     83      -7.4693      1.00000
     84      -7.2560      1.00000
     85      -6.9354      1.00000
     86      -6.8583      1.00000
     87      -6.8121      1.00000
     88      -6.5744      1.00000
     89      -6.4669      1.00000
     90      -6.4210      1.00000
     91      -6.3575      1.00000
     92      -6.0522      1.00000
     93      -5.8780      1.00000
     94      -5.7536      1.00000
     95      -5.7225      1.00000
     96      -5.4771      1.00000
     97      -5.3464      1.00000
     98      -5.1810      1.00000
     99      -5.1569      1.00000
    100      -5.1551      1.00000
    101      -4.7073      1.00000
    102      -4.4402      1.00000
    103      -4.2542      1.00000
    104      -3.9948      1.00000
    105      -3.8263      1.00000
    106      -3.1567      1.00000
    107      -2.4634      0.00000
    108      -1.3800      0.00000
    109      -1.2408      0.00000
    110      -1.1467      0.00000
    111      -1.1149      0.00000
    112      -0.5651      0.00000
    113      -0.4348      0.00000
    114      -0.4304      0.00000
    115      -0.3099      0.00000
    116      -0.1910      0.00000
    117       0.0617      0.00000
    118       0.1159      0.00000
    119       0.5404      0.00000
    120       0.6836      0.00000
    121       0.8684      0.00000
    122       0.9642      0.00000
    123       1.1073      0.00000
    124       1.4925      0.00000
    125       1.6585      0.00000
    126       1.7979      0.00000
    127       1.8710      0.00000
    128       2.0892      0.00000
    129       2.1430      0.00000
    130       2.1940      0.00000
    131       2.2151      0.00000
    132       2.3398      0.00000
    133       2.3625      0.00000
    134       2.4856      0.00000
    135       2.5791      0.00000
    136       2.6662      0.00000
    137       2.8779      0.00000
    138       2.9370      0.00000
    139       2.9633      0.00000
    140       2.9942      0.00000
    141       3.0382      0.00000
    142       3.1480      0.00000
    143       3.1841      0.00000
    144       3.2435      0.00000
    145       3.2877      0.00000
    146       3.3310      0.00000
    147       3.3488      0.00000
    148       3.3781      0.00000
    149       3.4071      0.00000
    150       3.4934      0.00000
    151       3.5471      0.00000
    152       3.6290      0.00000
    153       3.6950      0.00000
    154       3.7067      0.00000
    155       3.7248      0.00000
    156       3.9181      0.00000
    157       3.9360      0.00000
    158       4.0534      0.00000
    159       4.0845      0.00000
    160       4.1967      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2492      1.00000
      2     -21.8966      1.00000
      3     -21.8228      1.00000
      4     -21.3176      1.00000
      5     -21.2788      1.00000
      6     -20.7728      1.00000
      7     -20.7038      1.00000
      8     -20.5558      1.00000
      9     -20.0240      1.00000
     10     -19.9917      1.00000
     11     -19.6515      1.00000
     12     -19.6204      1.00000
     13     -18.9445      1.00000
     14     -18.9098      1.00000
     15     -18.5849      1.00000
     16     -18.5480      1.00000
     17     -18.3932      1.00000
     18     -17.6028      1.00000
     19     -17.5716      1.00000
     20     -17.5422      1.00000
     21     -17.5093      1.00000
     22     -17.0752      1.00000
     23     -17.0287      1.00000
     24     -16.9009      1.00000
     25     -15.9462      1.00000
     26     -15.8526      1.00000
     27     -15.5341      1.00000
     28     -15.5077      1.00000
     29     -15.2103      1.00000
     30     -14.8144      1.00000
     31     -14.7625      1.00000
     32     -14.5102      1.00000
     33     -14.4686      1.00000
     34     -14.0973      1.00000
     35     -14.0941      1.00000
     36     -13.1052      1.00000
     37     -13.0305      1.00000
     38     -12.9572      1.00000
     39     -12.9504      1.00000
     40     -12.6563      1.00000
     41     -12.6281      1.00000
     42     -12.2753      1.00000
     43     -12.2482      1.00000
     44     -11.5737      1.00000
     45     -11.5544      1.00000
     46     -11.5018      1.00000
     47     -10.8786      1.00000
     48     -10.8697      1.00000
     49     -10.6811      1.00000
     50     -10.5256      1.00000
     51     -10.5211      1.00000
     52     -10.4346      1.00000
     53     -10.4169      1.00000
     54     -10.3707      1.00000
     55     -10.2886      1.00000
     56     -10.0614      1.00000
     57      -9.8330      1.00000
     58      -9.5590      1.00000
     59      -9.4851      1.00000
     60      -9.4442      1.00000
     61      -9.3568      1.00000
     62      -9.3398      1.00000
     63      -9.3085      1.00000
     64      -9.3032      1.00000
     65      -9.2071      1.00000
     66      -9.1002      1.00000
     67      -9.0692      1.00000
     68      -9.0501      1.00000
     69      -8.8503      1.00000
     70      -8.7978      1.00000
     71      -8.7784      1.00000
     72      -8.5277      1.00000
     73      -8.4971      1.00000
     74      -8.2260      1.00000
     75      -8.1305      1.00000
     76      -8.0932      1.00000
     77      -7.8067      1.00000
     78      -7.7680      1.00000
     79      -7.7406      1.00000
     80      -7.7030      1.00000
     81      -7.6352      1.00000
     82      -7.6257      1.00000
     83      -7.3883      1.00000
     84      -7.3449      1.00000
     85      -7.2193      1.00000
     86      -6.8440      1.00000
     87      -6.8211      1.00000
     88      -6.6400      1.00000
     89      -6.5301      1.00000
     90      -6.3414      1.00000
     91      -6.2734      1.00000
     92      -6.1961      1.00000
     93      -6.1327      1.00000
     94      -6.0216      1.00000
     95      -5.6364      1.00000
     96      -5.5091      1.00000
     97      -5.2983      1.00000
     98      -5.1565      1.00000
     99      -5.0406      1.00000
    100      -4.7261      1.00000
    101      -4.6859      1.00000
    102      -4.3677      1.00000
    103      -4.1841      1.00000
    104      -4.0079      1.00000
    105      -3.8258      1.00000
    106      -3.4844      1.00000
    107      -2.1650      0.00000
    108      -1.3842      0.00000
    109      -1.2355      0.00000
    110      -1.1856      0.00000
    111      -1.0147      0.00000
    112      -0.9555      0.00000
    113      -0.7975      0.00000
    114      -0.7526      0.00000
    115      -0.3678      0.00000
    116       0.2454      0.00000
    117       0.2763      0.00000
    118       0.3637      0.00000
    119       0.6971      0.00000
    120       0.8684      0.00000
    121       0.9655      0.00000
    122       1.1230      0.00000
    123       1.2325      0.00000
    124       1.4533      0.00000
    125       1.5515      0.00000
    126       1.7805      0.00000
    127       1.8501      0.00000
    128       1.8832      0.00000
    129       1.9821      0.00000
    130       2.0275      0.00000
    131       2.1971      0.00000
    132       2.2077      0.00000
    133       2.3992      0.00000
    134       2.4568      0.00000
    135       2.5536      0.00000
    136       2.6576      0.00000
    137       2.6844      0.00000
    138       2.7261      0.00000
    139       2.7669      0.00000
    140       2.8490      0.00000
    141       2.9626      0.00000
    142       3.0792      0.00000
    143       3.1916      0.00000
    144       3.2384      0.00000
    145       3.2556      0.00000
    146       3.2944      0.00000
    147       3.3314      0.00000
    148       3.4780      0.00000
    149       3.5058      0.00000
    150       3.7083      0.00000
    151       3.7199      0.00000
    152       3.7706      0.00000
    153       3.8584      0.00000
    154       3.8724      0.00000
    155       3.8985      0.00000
    156       3.9961      0.00000
    157       4.0021      0.00000
    158       4.0517      0.00000
    159       4.0637      0.00000
    160       4.0857      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3212      1.00000
      2     -21.7630      1.00000
      3     -21.5692      1.00000
      4     -21.5419      1.00000
      5     -21.2065      1.00000
      6     -21.1674      1.00000
      7     -20.9870      1.00000
      8     -20.1000      1.00000
      9     -20.0610      1.00000
     10     -19.5477      1.00000
     11     -19.5274      1.00000
     12     -19.3460      1.00000
     13     -19.0294      1.00000
     14     -18.9893      1.00000
     15     -18.9788      1.00000
     16     -18.9729      1.00000
     17     -18.2972      1.00000
     18     -18.2835      1.00000
     19     -17.9473      1.00000
     20     -17.0014      1.00000
     21     -16.9605      1.00000
     22     -16.8835      1.00000
     23     -16.8705      1.00000
     24     -16.4169      1.00000
     25     -16.3944      1.00000
     26     -15.5421      1.00000
     27     -15.5390      1.00000
     28     -15.1739      1.00000
     29     -15.1726      1.00000
     30     -15.1317      1.00000
     31     -15.0373      1.00000
     32     -15.0015      1.00000
     33     -14.6344      1.00000
     34     -14.6278      1.00000
     35     -13.6637      1.00000
     36     -13.6542      1.00000
     37     -13.1715      1.00000
     38     -12.5734      1.00000
     39     -12.5135      1.00000
     40     -12.3865      1.00000
     41     -12.3861      1.00000
     42     -12.0361      1.00000
     43     -12.0324      1.00000
     44     -11.6564      1.00000
     45     -11.6161      1.00000
     46     -11.2065      1.00000
     47     -11.1576      1.00000
     48     -10.9558      1.00000
     49     -10.9429      1.00000
     50     -10.8618      1.00000
     51     -10.8295      1.00000
     52     -10.6251      1.00000
     53     -10.1463      1.00000
     54     -10.0849      1.00000
     55     -10.0254      1.00000
     56      -9.9468      1.00000
     57      -9.6319      1.00000
     58      -9.6302      1.00000
     59      -9.6042      1.00000
     60      -9.5413      1.00000
     61      -9.5043      1.00000
     62      -9.4801      1.00000
     63      -9.2729      1.00000
     64      -9.2359      1.00000
     65      -9.2082      1.00000
     66      -9.1808      1.00000
     67      -9.0634      1.00000
     68      -9.0475      1.00000
     69      -9.0440      1.00000
     70      -8.8778      1.00000
     71      -8.8100      1.00000
     72      -8.5350      1.00000
     73      -8.5337      1.00000
     74      -8.4989      1.00000
     75      -8.0311      1.00000
     76      -7.8327      1.00000
     77      -7.8002      1.00000
     78      -7.7755      1.00000
     79      -7.7038      1.00000
     80      -7.6845      1.00000
     81      -7.4137      1.00000
     82      -7.2876      1.00000
     83      -7.2516      1.00000
     84      -7.2043      1.00000
     85      -7.0824      1.00000
     86      -7.0754      1.00000
     87      -6.9393      1.00000
     88      -6.7119      1.00000
     89      -6.6750      1.00000
     90      -6.6300      1.00000
     91      -6.5580      1.00000
     92      -6.0716      1.00000
     93      -6.0317      1.00000
     94      -6.0019      1.00000
     95      -5.9387      1.00000
     96      -5.8004      1.00000
     97      -5.1802      1.00000
     98      -4.8942      1.00000
     99      -4.7943      1.00000
    100      -4.6116      1.00000
    101      -4.5125      1.00000
    102      -4.1401      1.00000
    103      -4.0909      1.00000
    104      -3.9307      1.00000
    105      -3.9160      1.00000
    106      -3.8251      1.00000
    107      -1.7525      0.00000
    108      -1.6967      0.00000
    109      -1.4112      0.00000
    110      -1.3706      0.00000
    111      -1.2650      0.00000
    112      -1.2358      0.00000
    113      -0.6260      0.00000
    114      -0.5982      0.00000
    115      -0.1901      0.00000
    116       0.0408      0.00000
    117       0.5814      0.00000
    118       0.7407      0.00000
    119       0.8489      0.00000
    120       0.9277      0.00000
    121       1.1676      0.00000
    122       1.2099      0.00000
    123       1.2445      0.00000
    124       1.4155      0.00000
    125       1.5963      0.00000
    126       1.6342      0.00000
    127       1.7020      0.00000
    128       1.8055      0.00000
    129       1.9224      0.00000
    130       1.9395      0.00000
    131       2.1440      0.00000
    132       2.1701      0.00000
    133       2.2596      0.00000
    134       2.2979      0.00000
    135       2.5393      0.00000
    136       2.5546      0.00000
    137       2.6383      0.00000
    138       2.7588      0.00000
    139       2.8071      0.00000
    140       2.8476      0.00000
    141       2.8936      0.00000
    142       2.9437      0.00000
    143       3.0098      0.00000
    144       3.0246      0.00000
    145       3.0831      0.00000
    146       3.3068      0.00000
    147       3.3708      0.00000
    148       3.4213      0.00000
    149       3.4764      0.00000
    150       3.6042      0.00000
    151       3.6565      0.00000
    152       3.6671      0.00000
    153       3.6788      0.00000
    154       3.8886      0.00000
    155       3.9752      0.00000
    156       4.0219      0.00000
    157       4.0705      0.00000
    158       4.2344      0.00000
    159       4.2554      0.00000
    160       4.2629      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1425      1.00000
      2     -22.0496      1.00000
      3     -21.8875      1.00000
      4     -21.3369      1.00000
      5     -20.9782      1.00000
      6     -20.9486      1.00000
      7     -20.4294      1.00000
      8     -20.3974      1.00000
      9     -20.2173      1.00000
     10     -20.2154      1.00000
     11     -19.8892      1.00000
     12     -19.8254      1.00000
     13     -18.8189      1.00000
     14     -18.7482      1.00000
     15     -18.2672      1.00000
     16     -18.2525      1.00000
     17     -18.0814      1.00000
     18     -18.0747      1.00000
     19     -17.7473      1.00000
     20     -17.7309      1.00000
     21     -17.1958      1.00000
     22     -17.1725      1.00000
     23     -17.0897      1.00000
     24     -17.0693      1.00000
     25     -16.0549      1.00000
     26     -15.8100      1.00000
     27     -15.8003      1.00000
     28     -15.7785      1.00000
     29     -15.1601      1.00000
     30     -14.4868      1.00000
     31     -14.4655      1.00000
     32     -14.2052      1.00000
     33     -13.9169      1.00000
     34     -13.8875      1.00000
     35     -13.7594      1.00000
     36     -13.7396      1.00000
     37     -13.5376      1.00000
     38     -13.5111      1.00000
     39     -13.3028      1.00000
     40     -12.5776      1.00000
     41     -12.1025      1.00000
     42     -12.0778      1.00000
     43     -12.0001      1.00000
     44     -11.9523      1.00000
     45     -11.6059      1.00000
     46     -11.5983      1.00000
     47     -11.0851      1.00000
     48     -11.0621      1.00000
     49     -10.7332      1.00000
     50     -10.6660      1.00000
     51     -10.5588      1.00000
     52     -10.1404      1.00000
     53     -10.1360      1.00000
     54     -10.1020      1.00000
     55      -9.9666      1.00000
     56      -9.9262      1.00000
     57      -9.9227      1.00000
     58      -9.7514      1.00000
     59      -9.7298      1.00000
     60      -9.6980      1.00000
     61      -9.6953      1.00000
     62      -9.4009      1.00000
     63      -9.3905      1.00000
     64      -9.0688      1.00000
     65      -8.9829      1.00000
     66      -8.9822      1.00000
     67      -8.9069      1.00000
     68      -8.8134      1.00000
     69      -8.6500      1.00000
     70      -8.6344      1.00000
     71      -8.5472      1.00000
     72      -8.5031      1.00000
     73      -8.4841      1.00000
     74      -8.3950      1.00000
     75      -8.3834      1.00000
     76      -8.2107      1.00000
     77      -8.1022      1.00000
     78      -8.0079      1.00000
     79      -7.9021      1.00000
     80      -7.8432      1.00000
     81      -7.6222      1.00000
     82      -7.5338      1.00000
     83      -7.4584      1.00000
     84      -7.2527      1.00000
     85      -6.9423      1.00000
     86      -6.8692      1.00000
     87      -6.8100      1.00000
     88      -6.4786      1.00000
     89      -6.4698      1.00000
     90      -6.4104      1.00000
     91      -6.3607      1.00000
     92      -6.1895      1.00000
     93      -5.8588      1.00000
     94      -5.7384      1.00000
     95      -5.7120      1.00000
     96      -5.5240      1.00000
     97      -5.3296      1.00000
     98      -5.1731      1.00000
     99      -5.1680      1.00000
    100      -5.1346      1.00000
    101      -4.6964      1.00000
    102      -4.3482      1.00000
    103      -4.2784      1.00000
    104      -4.0278      1.00000
    105      -3.8273      1.00000
    106      -3.2334      1.00000
    107      -2.4060      0.00000
    108      -1.3465      0.00000
    109      -1.2434      0.00000
    110      -1.1541      0.00000
    111      -1.1088      0.00000
    112      -0.5843      0.00000
    113      -0.5210      0.00000
    114      -0.4341      0.00000
    115      -0.2751      0.00000
    116      -0.0715      0.00000
    117      -0.0114      0.00000
    118       0.0597      0.00000
    119       0.5831      0.00000
    120       0.7101      0.00000
    121       0.8072      0.00000
    122       0.9395      0.00000
    123       1.1791      0.00000
    124       1.5057      0.00000
    125       1.6167      0.00000
    126       1.8544      0.00000
    127       2.0013      0.00000
    128       2.0485      0.00000
    129       2.1086      0.00000
    130       2.1524      0.00000
    131       2.2666      0.00000
    132       2.2845      0.00000
    133       2.3490      0.00000
    134       2.4610      0.00000
    135       2.6097      0.00000
    136       2.6980      0.00000
    137       2.8151      0.00000
    138       2.9150      0.00000
    139       2.9426      0.00000
    140       3.0136      0.00000
    141       3.0462      0.00000
    142       3.1542      0.00000
    143       3.1658      0.00000
    144       3.2245      0.00000
    145       3.2974      0.00000
    146       3.3082      0.00000
    147       3.3517      0.00000
    148       3.3712      0.00000
    149       3.4137      0.00000
    150       3.4409      0.00000
    151       3.5579      0.00000
    152       3.6080      0.00000
    153       3.7039      0.00000
    154       3.7255      0.00000
    155       3.8434      0.00000
    156       3.9029      0.00000
    157       3.9292      0.00000
    158       3.9586      0.00000
    159       4.1426      0.00000
    160       4.1782      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2152      1.00000
      2     -22.0100      1.00000
      3     -21.6479      1.00000
      4     -21.6165      1.00000
      5     -20.9115      1.00000
      6     -20.8706      1.00000
      7     -20.5408      1.00000
      8     -20.5081      1.00000
      9     -20.5012      1.00000
     10     -19.9638      1.00000
     11     -19.4425      1.00000
     12     -19.4203      1.00000
     13     -19.2416      1.00000
     14     -19.2342      1.00000
     15     -18.3775      1.00000
     16     -18.3422      1.00000
     17     -17.8602      1.00000
     18     -17.8439      1.00000
     19     -17.6927      1.00000
     20     -17.6565      1.00000
     21     -17.3735      1.00000
     22     -17.3591      1.00000
     23     -17.2683      1.00000
     24     -16.4145      1.00000
     25     -16.3913      1.00000
     26     -15.9057      1.00000
     27     -15.3449      1.00000
     28     -15.3402      1.00000
     29     -15.0324      1.00000
     30     -15.0229      1.00000
     31     -14.7773      1.00000
     32     -14.7754      1.00000
     33     -14.2385      1.00000
     34     -14.1875      1.00000
     35     -13.3884      1.00000
     36     -13.3338      1.00000
     37     -13.1121      1.00000
     38     -13.1044      1.00000
     39     -12.9191      1.00000
     40     -12.9134      1.00000
     41     -12.5463      1.00000
     42     -12.5390      1.00000
     43     -12.1340      1.00000
     44     -11.5153      1.00000
     45     -11.4709      1.00000
     46     -11.2462      1.00000
     47     -11.2147      1.00000
     48     -11.0866      1.00000
     49     -10.7049      1.00000
     50     -10.5962      1.00000
     51     -10.5102      1.00000
     52     -10.2523      1.00000
     53     -10.2485      1.00000
     54     -10.1226      1.00000
     55     -10.0549      1.00000
     56     -10.0402      1.00000
     57      -9.7850      1.00000
     58      -9.6878      1.00000
     59      -9.6747      1.00000
     60      -9.6382      1.00000
     61      -9.6288      1.00000
     62      -9.5871      1.00000
     63      -9.2962      1.00000
     64      -9.2843      1.00000
     65      -9.2545      1.00000
     66      -9.0642      1.00000
     67      -8.8955      1.00000
     68      -8.8849      1.00000
     69      -8.7197      1.00000
     70      -8.5811      1.00000
     71      -8.5274      1.00000
     72      -8.3516      1.00000
     73      -8.3058      1.00000
     74      -8.2448      1.00000
     75      -8.2392      1.00000
     76      -8.1952      1.00000
     77      -8.1828      1.00000
     78      -8.1705      1.00000
     79      -8.1064      1.00000
     80      -7.6905      1.00000
     81      -7.4180      1.00000
     82      -7.3434      1.00000
     83      -7.2586      1.00000
     84      -7.1689      1.00000
     85      -7.1114      1.00000
     86      -7.0048      1.00000
     87      -6.9049      1.00000
     88      -6.8482      1.00000
     89      -6.5432      1.00000
     90      -6.4985      1.00000
     91      -6.2117      1.00000
     92      -6.2028      1.00000
     93      -5.8957      1.00000
     94      -5.6741      1.00000
     95      -5.6077      1.00000
     96      -5.5812      1.00000
     97      -5.2541      1.00000
     98      -5.2322      1.00000
     99      -5.1654      1.00000
    100      -5.1351      1.00000
    101      -4.5994      1.00000
    102      -4.2485      1.00000
    103      -4.0444      1.00000
    104      -3.8851      1.00000
    105      -3.8398      1.00000
    106      -3.8004      1.00000
    107      -1.8084      0.00000
    108      -1.7815      0.00000
    109      -1.2267      0.00000
    110      -1.1749      0.00000
    111      -0.9743      0.00000
    112      -0.7354      0.00000
    113      -0.6498      0.00000
    114      -0.5943      0.00000
    115      -0.5496      0.00000
    116      -0.1549      0.00000
    117       0.1765      0.00000
    118       0.2880      0.00000
    119       0.7029      0.00000
    120       0.9453      0.00000
    121       1.1689      0.00000
    122       1.2773      0.00000
    123       1.3413      0.00000
    124       1.5082      0.00000
    125       1.6059      0.00000
    126       1.6262      0.00000
    127       1.6906      0.00000
    128       1.7725      0.00000
    129       1.8577      0.00000
    130       2.0776      0.00000
    131       2.1613      0.00000
    132       2.3212      0.00000
    133       2.3889      0.00000
    134       2.4234      0.00000
    135       2.5511      0.00000
    136       2.6217      0.00000
    137       2.6869      0.00000
    138       2.7478      0.00000
    139       2.8144      0.00000
    140       2.9074      0.00000
    141       3.0512      0.00000
    142       3.0590      0.00000
    143       3.1784      0.00000
    144       3.2787      0.00000
    145       3.3755      0.00000
    146       3.4104      0.00000
    147       3.4574      0.00000
    148       3.5478      0.00000
    149       3.5720      0.00000
    150       3.6322      0.00000
    151       3.6613      0.00000
    152       3.7014      0.00000
    153       3.7854      0.00000
    154       3.7984      0.00000
    155       3.8199      0.00000
    156       3.8890      0.00000
    157       3.9059      0.00000
    158       3.9747      0.00000
    159       4.1874      0.00000
    160       4.2287      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3579      1.00000
      2     -21.5381      1.00000
      3     -21.4084      1.00000
      4     -21.4074      1.00000
      5     -21.3761      1.00000
      6     -21.3670      1.00000
      7     -21.3597      1.00000
      8     -19.6474      1.00000
      9     -19.5735      1.00000
     10     -19.5663      1.00000
     11     -19.5595      1.00000
     12     -19.5414      1.00000
     13     -19.5388      1.00000
     14     -18.7289      1.00000
     15     -18.6810      1.00000
     16     -18.6729      1.00000
     17     -18.6599      1.00000
     18     -18.6446      1.00000
     19     -18.6425      1.00000
     20     -16.5862      1.00000
     21     -16.5276      1.00000
     22     -16.5252      1.00000
     23     -16.5118      1.00000
     24     -16.4875      1.00000
     25     -16.4860      1.00000
     26     -15.5594      1.00000
     27     -15.5279      1.00000
     28     -15.5270      1.00000
     29     -15.5010      1.00000
     30     -15.4951      1.00000
     31     -15.4900      1.00000
     32     -14.2067      1.00000
     33     -14.1813      1.00000
     34     -14.1689      1.00000
     35     -14.1661      1.00000
     36     -14.1607      1.00000
     37     -14.1494      1.00000
     38     -11.8836      1.00000
     39     -11.8088      1.00000
     40     -11.7930      1.00000
     41     -11.7928      1.00000
     42     -11.7890      1.00000
     43     -11.7836      1.00000
     44     -11.7058      1.00000
     45     -11.6990      1.00000
     46     -11.6735      1.00000
     47     -11.6592      1.00000
     48     -11.6583      1.00000
     49     -11.6516      1.00000
     50     -10.6735      1.00000
     51     -10.3295      1.00000
     52     -10.3220      1.00000
     53     -10.3067      1.00000
     54     -10.3046      1.00000
     55     -10.2922      1.00000
     56     -10.2791      1.00000
     57      -9.9268      1.00000
     58      -9.3738      1.00000
     59      -9.3603      1.00000
     60      -9.3012      1.00000
     61      -9.2930      1.00000
     62      -9.2862      1.00000
     63      -9.0924      1.00000
     64      -9.0558      1.00000
     65      -9.0498      1.00000
     66      -9.0277      1.00000
     67      -9.0076      1.00000
     68      -9.0018      1.00000
     69      -9.0013      1.00000
     70      -8.9962      1.00000
     71      -8.9926      1.00000
     72      -8.9729      1.00000
     73      -8.9650      1.00000
     74      -8.9552      1.00000
     75      -8.4938      1.00000
     76      -7.5141      1.00000
     77      -7.4114      1.00000
     78      -7.4102      1.00000
     79      -7.4005      1.00000
     80      -7.3837      1.00000
     81      -7.3650      1.00000
     82      -7.3414      1.00000
     83      -7.3108      1.00000
     84      -7.2693      1.00000
     85      -7.2076      1.00000
     86      -7.1810      1.00000
     87      -7.1808      1.00000
     88      -7.0751      1.00000
     89      -6.5089      1.00000
     90      -6.4616      1.00000
     91      -6.3557      1.00000
     92      -6.2944      1.00000
     93      -6.2884      1.00000
     94      -6.2875      1.00000
     95      -5.8967      1.00000
     96      -5.8861      1.00000
     97      -5.0448      1.00000
     98      -4.9367      1.00000
     99      -4.5393      1.00000
    100      -4.3413      1.00000
    101      -4.3186      1.00000
    102      -4.3177      1.00000
    103      -4.1152      1.00000
    104      -3.9119      1.00000
    105      -3.9013      1.00000
    106      -3.8311      1.00000
    107      -1.6826      0.00000
    108      -1.6674      0.00000
    109      -1.5374      0.00000
    110      -1.5350      0.00000
    111      -1.5237      0.00000
    112      -1.5095      0.00000
    113      -0.5882      0.00000
    114       0.1344      0.00000
    115       0.2066      0.00000
    116       0.3246      0.00000
    117       0.3262      0.00000
    118       0.3338      0.00000
    119       0.4941      0.00000
    120       0.5927      0.00000
    121       1.2579      0.00000
    122       1.2683      0.00000
    123       1.5221      0.00000
    124       1.7960      0.00000
    125       1.8012      0.00000
    126       1.8046      0.00000
    127       1.8091      0.00000
    128       1.9453      0.00000
    129       1.9767      0.00000
    130       2.0315      0.00000
    131       2.0456      0.00000
    132       2.0508      0.00000
    133       2.0549      0.00000
    134       2.0574      0.00000
    135       2.3020      0.00000
    136       2.3250      0.00000
    137       2.6071      0.00000
    138       2.6145      0.00000
    139       2.6421      0.00000
    140       2.7188      0.00000
    141       2.8584      0.00000
    142       3.0275      0.00000
    143       3.0557      0.00000
    144       3.0894      0.00000
    145       3.0971      0.00000
    146       3.1004      0.00000
    147       3.1009      0.00000
    148       3.2274      0.00000
    149       3.4471      0.00000
    150       3.5363      0.00000
    151       3.7888      0.00000
    152       3.9452      0.00000
    153       3.9469      0.00000
    154       3.9523      0.00000
    155       3.9577      0.00000
    156       3.9964      0.00000
    157       4.1772      0.00000
    158       4.2632      0.00000
    159       4.2854      0.00000
    160       4.2861      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3213      1.00000
      2     -21.7627      1.00000
      3     -21.5719      1.00000
      4     -21.5391      1.00000
      5     -21.2090      1.00000
      6     -21.1642      1.00000
      7     -20.9884      1.00000
      8     -20.1029      1.00000
      9     -20.0588      1.00000
     10     -19.5473      1.00000
     11     -19.5228      1.00000
     12     -19.3503      1.00000
     13     -19.0257      1.00000
     14     -18.9907      1.00000
     15     -18.9826      1.00000
     16     -18.9702      1.00000
     17     -18.2984      1.00000
     18     -18.2791      1.00000
     19     -17.9531      1.00000
     20     -17.0105      1.00000
     21     -16.9606      1.00000
     22     -16.8796      1.00000
     23     -16.8695      1.00000
     24     -16.4056      1.00000
     25     -16.3909      1.00000
     26     -15.5525      1.00000
     27     -15.5371      1.00000
     28     -15.1983      1.00000
     29     -15.1701      1.00000
     30     -15.1159      1.00000
     31     -15.0289      1.00000
     32     -15.0039      1.00000
     33     -14.6370      1.00000
     34     -14.6253      1.00000
     35     -13.6680      1.00000
     36     -13.6528      1.00000
     37     -13.1706      1.00000
     38     -12.5517      1.00000
     39     -12.5186      1.00000
     40     -12.3921      1.00000
     41     -12.3792      1.00000
     42     -12.0577      1.00000
     43     -12.0349      1.00000
     44     -11.6598      1.00000
     45     -11.6178      1.00000
     46     -11.1806      1.00000
     47     -11.1578      1.00000
     48     -10.9655      1.00000
     49     -10.9419      1.00000
     50     -10.8740      1.00000
     51     -10.8381      1.00000
     52     -10.6031      1.00000
     53     -10.0940      1.00000
     54     -10.0899      1.00000
     55     -10.0467      1.00000
     56      -9.9712      1.00000
     57      -9.6546      1.00000
     58      -9.6304      1.00000
     59      -9.5928      1.00000
     60      -9.5303      1.00000
     61      -9.5110      1.00000
     62      -9.4802      1.00000
     63      -9.2647      1.00000
     64      -9.2422      1.00000
     65      -9.2218      1.00000
     66      -9.1667      1.00000
     67      -9.0694      1.00000
     68      -9.0481      1.00000
     69      -9.0414      1.00000
     70      -8.8835      1.00000
     71      -8.8067      1.00000
     72      -8.5765      1.00000
     73      -8.5230      1.00000
     74      -8.4579      1.00000
     75      -8.0360      1.00000
     76      -7.8117      1.00000
     77      -7.8076      1.00000
     78      -7.7928      1.00000
     79      -7.7012      1.00000
     80      -7.6914      1.00000
     81      -7.3637      1.00000
     82      -7.2744      1.00000
     83      -7.2649      1.00000
     84      -7.2163      1.00000
     85      -7.1735      1.00000
     86      -7.0094      1.00000
     87      -6.9475      1.00000
     88      -6.7472      1.00000
     89      -6.6729      1.00000
     90      -6.5950      1.00000
     91      -6.5601      1.00000
     92      -6.0511      1.00000
     93      -6.0475      1.00000
     94      -6.0220      1.00000
     95      -5.9593      1.00000
     96      -5.7372      1.00000
     97      -5.1542      1.00000
     98      -4.9895      1.00000
     99      -4.7191      1.00000
    100      -4.6116      1.00000
    101      -4.4396      1.00000
    102      -4.3736      1.00000
    103      -4.1216      1.00000
    104      -3.8678      1.00000
    105      -3.8313      1.00000
    106      -3.7907      1.00000
    107      -1.7850      0.00000
    108      -1.7391      0.00000
    109      -1.3956      0.00000
    110      -1.3458      0.00000
    111      -1.2652      0.00000
    112      -1.2263      0.00000
    113      -0.7466      0.00000
    114      -0.3804      0.00000
    115      -0.2199      0.00000
    116      -0.0199      0.00000
    117       0.5877      0.00000
    118       0.7361      0.00000
    119       0.7644      0.00000
    120       1.0496      0.00000
    121       1.1413      0.00000
    122       1.2494      0.00000
    123       1.2680      0.00000
    124       1.4109      0.00000
    125       1.4767      0.00000
    126       1.5808      0.00000
    127       1.7558      0.00000
    128       1.8395      0.00000
    129       1.8967      0.00000
    130       1.9576      0.00000
    131       2.1032      0.00000
    132       2.2307      0.00000
    133       2.2473      0.00000
    134       2.2924      0.00000
    135       2.4876      0.00000
    136       2.6101      0.00000
    137       2.6364      0.00000
    138       2.7641      0.00000
    139       2.7952      0.00000
    140       2.8582      0.00000
    141       2.8666      0.00000
    142       2.8928      0.00000
    143       2.9580      0.00000
    144       3.0774      0.00000
    145       3.2783      0.00000
    146       3.3022      0.00000
    147       3.3770      0.00000
    148       3.4085      0.00000
    149       3.4646      0.00000
    150       3.5843      0.00000
    151       3.6370      0.00000
    152       3.6691      0.00000
    153       3.7070      0.00000
    154       3.9033      0.00000
    155       3.9389      0.00000
    156       3.9797      0.00000
    157       4.0808      0.00000
    158       4.2001      0.00000
    159       4.2434      0.00000
    160       4.2945      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2156      1.00000
      2     -22.0093      1.00000
      3     -21.6506      1.00000
      4     -21.6135      1.00000
      5     -20.9143      1.00000
      6     -20.8679      1.00000
      7     -20.5469      1.00000
      8     -20.5076      1.00000
      9     -20.4972      1.00000
     10     -19.9648      1.00000
     11     -19.4435      1.00000
     12     -19.4166      1.00000
     13     -19.2427      1.00000
     14     -19.2283      1.00000
     15     -18.3852      1.00000
     16     -18.3411      1.00000
     17     -17.8610      1.00000
     18     -17.8400      1.00000
     19     -17.6990      1.00000
     20     -17.6564      1.00000
     21     -17.3731      1.00000
     22     -17.3570      1.00000
     23     -17.2753      1.00000
     24     -16.4021      1.00000
     25     -16.3874      1.00000
     26     -15.8979      1.00000
     27     -15.3533      1.00000
     28     -15.3383      1.00000
     29     -15.0355      1.00000
     30     -15.0220      1.00000
     31     -14.8002      1.00000
     32     -14.7757      1.00000
     33     -14.2230      1.00000
     34     -14.1908      1.00000
     35     -13.3720      1.00000
     36     -13.3381      1.00000
     37     -13.1205      1.00000
     38     -13.1032      1.00000
     39     -12.9176      1.00000
     40     -12.9043      1.00000
     41     -12.5574      1.00000
     42     -12.5395      1.00000
     43     -12.1341      1.00000
     44     -11.5225      1.00000
     45     -11.4747      1.00000
     46     -11.2542      1.00000
     47     -11.2207      1.00000
     48     -11.0804      1.00000
     49     -10.6586      1.00000
     50     -10.5896      1.00000
     51     -10.5241      1.00000
     52     -10.2592      1.00000
     53     -10.2499      1.00000
     54     -10.1234      1.00000
     55     -10.0495      1.00000
     56     -10.0418      1.00000
     57      -9.7701      1.00000
     58      -9.7067      1.00000
     59      -9.6808      1.00000
     60      -9.6310      1.00000
     61      -9.6277      1.00000
     62      -9.5891      1.00000
     63      -9.2953      1.00000
     64      -9.2862      1.00000
     65      -9.2537      1.00000
     66      -9.0868      1.00000
     67      -8.8983      1.00000
     68      -8.8839      1.00000
     69      -8.7258      1.00000
     70      -8.5890      1.00000
     71      -8.5145      1.00000
     72      -8.3317      1.00000
     73      -8.3036      1.00000
     74      -8.2650      1.00000
     75      -8.2339      1.00000
     76      -8.1955      1.00000
     77      -8.1866      1.00000
     78      -8.1713      1.00000
     79      -8.0994      1.00000
     80      -7.6892      1.00000
     81      -7.3563      1.00000
     82      -7.3110      1.00000
     83      -7.2654      1.00000
     84      -7.1878      1.00000
     85      -7.1259      1.00000
     86      -7.0776      1.00000
     87      -6.9078      1.00000
     88      -6.8832      1.00000
     89      -6.5495      1.00000
     90      -6.4933      1.00000
     91      -6.2099      1.00000
     92      -6.0701      1.00000
     93      -5.9422      1.00000
     94      -5.7149      1.00000
     95      -5.6337      1.00000
     96      -5.4532      1.00000
     97      -5.3053      1.00000
     98      -5.2349      1.00000
     99      -5.1529      1.00000
    100      -5.1521      1.00000
    101      -4.5209      1.00000
    102      -4.4699      1.00000
    103      -4.1419      1.00000
    104      -3.8345      1.00000
    105      -3.7569      1.00000
    106      -3.6802      1.00000
    107      -1.8708      0.00000
    108      -1.8245      0.00000
    109      -1.2786      0.00000
    110      -1.0357      0.00000
    111      -1.0124      0.00000
    112      -0.7134      0.00000
    113      -0.6397      0.00000
    114      -0.5886      0.00000
    115      -0.5464      0.00000
    116      -0.2048      0.00000
    117       0.2522      0.00000
    118       0.2784      0.00000
    119       0.7571      0.00000
    120       0.9424      0.00000
    121       1.1323      0.00000
    122       1.2256      0.00000
    123       1.3180      0.00000
    124       1.4090      0.00000
    125       1.5985      0.00000
    126       1.6332      0.00000
    127       1.6975      0.00000
    128       1.8229      0.00000
    129       1.9153      0.00000
    130       2.0084      0.00000
    131       2.1084      0.00000
    132       2.3282      0.00000
    133       2.3951      0.00000
    134       2.4289      0.00000
    135       2.5364      0.00000
    136       2.6328      0.00000
    137       2.7581      0.00000
    138       2.8202      0.00000
    139       2.8302      0.00000
    140       2.8872      0.00000
    141       3.0426      0.00000
    142       3.0877      0.00000
    143       3.1825      0.00000
    144       3.2356      0.00000
    145       3.3837      0.00000
    146       3.4205      0.00000
    147       3.4796      0.00000
    148       3.5740      0.00000
    149       3.5992      0.00000
    150       3.6267      0.00000
    151       3.6493      0.00000
    152       3.7402      0.00000
    153       3.7698      0.00000
    154       3.7833      0.00000
    155       3.8086      0.00000
    156       3.8923      0.00000
    157       3.9743      0.00000
    158       4.0042      0.00000
    159       4.1735      0.00000
    160       4.2371      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2494      1.00000
      2     -21.8950      1.00000
      3     -21.8244      1.00000
      4     -21.3130      1.00000
      5     -21.2827      1.00000
      6     -20.7717      1.00000
      7     -20.7059      1.00000
      8     -20.5575      1.00000
      9     -20.0100      1.00000
     10     -20.0025      1.00000
     11     -19.6490      1.00000
     12     -19.6247      1.00000
     13     -18.9305      1.00000
     14     -18.9221      1.00000
     15     -18.5717      1.00000
     16     -18.5574      1.00000
     17     -18.3950      1.00000
     18     -17.6157      1.00000
     19     -17.5596      1.00000
     20     -17.5547      1.00000
     21     -17.5131      1.00000
     22     -17.0570      1.00000
     23     -17.0387      1.00000
     24     -16.8921      1.00000
     25     -15.9304      1.00000
     26     -15.8681      1.00000
     27     -15.5175      1.00000
     28     -15.5167      1.00000
     29     -15.2288      1.00000
     30     -14.7957      1.00000
     31     -14.7679      1.00000
     32     -14.5160      1.00000
     33     -14.4721      1.00000
     34     -14.1020      1.00000
     35     -14.0913      1.00000
     36     -13.0771      1.00000
     37     -13.0343      1.00000
     38     -12.9676      1.00000
     39     -12.9555      1.00000
     40     -12.6461      1.00000
     41     -12.6395      1.00000
     42     -12.2749      1.00000
     43     -12.2437      1.00000
     44     -11.5874      1.00000
     45     -11.5608      1.00000
     46     -11.5070      1.00000
     47     -10.9043      1.00000
     48     -10.8517      1.00000
     49     -10.6209      1.00000
     50     -10.5602      1.00000
     51     -10.4860      1.00000
     52     -10.4342      1.00000
     53     -10.4246      1.00000
     54     -10.3718      1.00000
     55     -10.2950      1.00000
     56     -10.0657      1.00000
     57      -9.8343      1.00000
     58      -9.5493      1.00000
     59      -9.4895      1.00000
     60      -9.4701      1.00000
     61      -9.3467      1.00000
     62      -9.3314      1.00000
     63      -9.3114      1.00000
     64      -9.3095      1.00000
     65      -9.2152      1.00000
     66      -9.1120      1.00000
     67      -9.0807      1.00000
     68      -9.0499      1.00000
     69      -8.8474      1.00000
     70      -8.7932      1.00000
     71      -8.7745      1.00000
     72      -8.5281      1.00000
     73      -8.4758      1.00000
     74      -8.2212      1.00000
     75      -8.1099      1.00000
     76      -8.0999      1.00000
     77      -7.8080      1.00000
     78      -7.7849      1.00000
     79      -7.7823      1.00000
     80      -7.6738      1.00000
     81      -7.6325      1.00000
     82      -7.6305      1.00000
     83      -7.4014      1.00000
     84      -7.3255      1.00000
     85      -7.1998      1.00000
     86      -6.8396      1.00000
     87      -6.8297      1.00000
     88      -6.6621      1.00000
     89      -6.5393      1.00000
     90      -6.3453      1.00000
     91      -6.3081      1.00000
     92      -6.1846      1.00000
     93      -6.1473      1.00000
     94      -5.9782      1.00000
     95      -5.5727      1.00000
     96      -5.4268      1.00000
     97      -5.2594      1.00000
     98      -5.2486      1.00000
     99      -5.1497      1.00000
    100      -4.6960      1.00000
    101      -4.6653      1.00000
    102      -4.3488      1.00000
    103      -4.3142      1.00000
    104      -3.9635      1.00000
    105      -3.8275      1.00000
    106      -3.3903      1.00000
    107      -2.2201      0.00000
    108      -1.3765      0.00000
    109      -1.2874      0.00000
    110      -1.1737      0.00000
    111      -1.0787      0.00000
    112      -0.8943      0.00000
    113      -0.7687      0.00000
    114      -0.7576      0.00000
    115      -0.2211      0.00000
    116       0.1140      0.00000
    117       0.2637      0.00000
    118       0.3457      0.00000
    119       0.7312      0.00000
    120       0.9047      0.00000
    121       0.9712      0.00000
    122       1.0917      0.00000
    123       1.2032      0.00000
    124       1.5281      0.00000
    125       1.5599      0.00000
    126       1.7105      0.00000
    127       1.8374      0.00000
    128       1.8617      0.00000
    129       1.9685      0.00000
    130       1.9933      0.00000
    131       2.1593      0.00000
    132       2.2638      0.00000
    133       2.4537      0.00000
    134       2.4668      0.00000
    135       2.5089      0.00000
    136       2.6661      0.00000
    137       2.6853      0.00000
    138       2.7291      0.00000
    139       2.7434      0.00000
    140       2.8887      0.00000
    141       3.0198      0.00000
    142       3.0816      0.00000
    143       3.1962      0.00000
    144       3.2546      0.00000
    145       3.2568      0.00000
    146       3.2661      0.00000
    147       3.3578      0.00000
    148       3.4789      0.00000
    149       3.5252      0.00000
    150       3.6947      0.00000
    151       3.7496      0.00000
    152       3.7704      0.00000
    153       3.8351      0.00000
    154       3.8749      0.00000
    155       3.9400      0.00000
    156       3.9848      0.00000
    157       4.0246      0.00000
    158       4.0464      0.00000
    159       4.0549      0.00000
    160       4.0860      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1435      1.00000
      2     -22.0481      1.00000
      3     -21.8880      1.00000
      4     -21.3360      1.00000
      5     -20.9830      1.00000
      6     -20.9446      1.00000
      7     -20.4346      1.00000
      8     -20.3921      1.00000
      9     -20.2278      1.00000
     10     -20.2065      1.00000
     11     -19.8903      1.00000
     12     -19.8226      1.00000
     13     -18.8160      1.00000
     14     -18.7448      1.00000
     15     -18.2908      1.00000
     16     -18.2378      1.00000
     17     -18.0869      1.00000
     18     -18.0669      1.00000
     19     -17.7624      1.00000
     20     -17.7205      1.00000
     21     -17.1898      1.00000
     22     -17.1709      1.00000
     23     -17.1005      1.00000
     24     -17.0647      1.00000
     25     -16.0394      1.00000
     26     -15.8238      1.00000
     27     -15.8010      1.00000
     28     -15.7653      1.00000
     29     -15.1744      1.00000
     30     -14.4919      1.00000
     31     -14.4594      1.00000
     32     -14.2184      1.00000
     33     -13.8963      1.00000
     34     -13.8911      1.00000
     35     -13.7569      1.00000
     36     -13.7367      1.00000
     37     -13.5522      1.00000
     38     -13.5041      1.00000
     39     -13.3014      1.00000
     40     -12.5657      1.00000
     41     -12.1254      1.00000
     42     -12.0670      1.00000
     43     -12.0108      1.00000
     44     -11.9526      1.00000
     45     -11.6117      1.00000
     46     -11.5890      1.00000
     47     -11.0853      1.00000
     48     -11.0527      1.00000
     49     -10.7530      1.00000
     50     -10.6647      1.00000
     51     -10.5264      1.00000
     52     -10.1499      1.00000
     53     -10.1392      1.00000
     54     -10.0974      1.00000
     55      -9.9541      1.00000
     56      -9.9486      1.00000
     57      -9.9183      1.00000
     58      -9.7380      1.00000
     59      -9.7325      1.00000
     60      -9.7012      1.00000
     61      -9.6917      1.00000
     62      -9.4287      1.00000
     63      -9.3639      1.00000
     64      -9.0858      1.00000
     65      -9.0079      1.00000
     66      -8.9752      1.00000
     67      -8.8884      1.00000
     68      -8.8125      1.00000
     69      -8.6586      1.00000
     70      -8.6361      1.00000
     71      -8.5777      1.00000
     72      -8.4788      1.00000
     73      -8.4679      1.00000
     74      -8.3987      1.00000
     75      -8.3950      1.00000
     76      -8.1851      1.00000
     77      -8.1141      1.00000
     78      -7.9783      1.00000
     79      -7.9151      1.00000
     80      -7.8479      1.00000
     81      -7.6179      1.00000
     82      -7.5309      1.00000
     83      -7.4693      1.00000
     84      -7.2560      1.00000
     85      -6.9354      1.00000
     86      -6.8583      1.00000
     87      -6.8121      1.00000
     88      -6.5744      1.00000
     89      -6.4669      1.00000
     90      -6.4210      1.00000
     91      -6.3575      1.00000
     92      -6.0522      1.00000
     93      -5.8780      1.00000
     94      -5.7536      1.00000
     95      -5.7225      1.00000
     96      -5.4771      1.00000
     97      -5.3464      1.00000
     98      -5.1810      1.00000
     99      -5.1569      1.00000
    100      -5.1551      1.00000
    101      -4.7073      1.00000
    102      -4.4402      1.00000
    103      -4.2542      1.00000
    104      -3.9948      1.00000
    105      -3.8263      1.00000
    106      -3.1567      1.00000
    107      -2.4634      0.00000
    108      -1.3800      0.00000
    109      -1.2408      0.00000
    110      -1.1467      0.00000
    111      -1.1149      0.00000
    112      -0.5651      0.00000
    113      -0.4348      0.00000
    114      -0.4304      0.00000
    115      -0.3099      0.00000
    116      -0.1910      0.00000
    117       0.0617      0.00000
    118       0.1159      0.00000
    119       0.5404      0.00000
    120       0.6836      0.00000
    121       0.8684      0.00000
    122       0.9642      0.00000
    123       1.1073      0.00000
    124       1.4925      0.00000
    125       1.6585      0.00000
    126       1.7979      0.00000
    127       1.8710      0.00000
    128       2.0892      0.00000
    129       2.1430      0.00000
    130       2.1940      0.00000
    131       2.2151      0.00000
    132       2.3398      0.00000
    133       2.3626      0.00000
    134       2.4856      0.00000
    135       2.5791      0.00000
    136       2.6662      0.00000
    137       2.8779      0.00000
    138       2.9370      0.00000
    139       2.9633      0.00000
    140       2.9942      0.00000
    141       3.0382      0.00000
    142       3.1480      0.00000
    143       3.1841      0.00000
    144       3.2435      0.00000
    145       3.2877      0.00000
    146       3.3310      0.00000
    147       3.3488      0.00000
    148       3.3781      0.00000
    149       3.4071      0.00000
    150       3.4934      0.00000
    151       3.5471      0.00000
    152       3.6290      0.00000
    153       3.6950      0.00000
    154       3.7067      0.00000
    155       3.7248      0.00000
    156       3.9181      0.00000
    157       3.9360      0.00000
    158       4.0534      0.00000
    159       4.0845      0.00000
    160       4.1967      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2492      1.00000
      2     -21.8966      1.00000
      3     -21.8228      1.00000
      4     -21.3176      1.00000
      5     -21.2788      1.00000
      6     -20.7728      1.00000
      7     -20.7038      1.00000
      8     -20.5558      1.00000
      9     -20.0240      1.00000
     10     -19.9917      1.00000
     11     -19.6515      1.00000
     12     -19.6204      1.00000
     13     -18.9445      1.00000
     14     -18.9098      1.00000
     15     -18.5849      1.00000
     16     -18.5480      1.00000
     17     -18.3932      1.00000
     18     -17.6028      1.00000
     19     -17.5716      1.00000
     20     -17.5422      1.00000
     21     -17.5093      1.00000
     22     -17.0752      1.00000
     23     -17.0287      1.00000
     24     -16.9009      1.00000
     25     -15.9462      1.00000
     26     -15.8526      1.00000
     27     -15.5341      1.00000
     28     -15.5077      1.00000
     29     -15.2103      1.00000
     30     -14.8144      1.00000
     31     -14.7625      1.00000
     32     -14.5102      1.00000
     33     -14.4686      1.00000
     34     -14.0973      1.00000
     35     -14.0941      1.00000
     36     -13.1052      1.00000
     37     -13.0305      1.00000
     38     -12.9572      1.00000
     39     -12.9504      1.00000
     40     -12.6563      1.00000
     41     -12.6281      1.00000
     42     -12.2753      1.00000
     43     -12.2482      1.00000
     44     -11.5737      1.00000
     45     -11.5544      1.00000
     46     -11.5018      1.00000
     47     -10.8786      1.00000
     48     -10.8697      1.00000
     49     -10.6811      1.00000
     50     -10.5256      1.00000
     51     -10.5211      1.00000
     52     -10.4346      1.00000
     53     -10.4169      1.00000
     54     -10.3707      1.00000
     55     -10.2886      1.00000
     56     -10.0614      1.00000
     57      -9.8330      1.00000
     58      -9.5590      1.00000
     59      -9.4851      1.00000
     60      -9.4442      1.00000
     61      -9.3568      1.00000
     62      -9.3398      1.00000
     63      -9.3085      1.00000
     64      -9.3032      1.00000
     65      -9.2071      1.00000
     66      -9.1002      1.00000
     67      -9.0692      1.00000
     68      -9.0501      1.00000
     69      -8.8503      1.00000
     70      -8.7978      1.00000
     71      -8.7784      1.00000
     72      -8.5277      1.00000
     73      -8.4971      1.00000
     74      -8.2260      1.00000
     75      -8.1305      1.00000
     76      -8.0932      1.00000
     77      -7.8067      1.00000
     78      -7.7680      1.00000
     79      -7.7406      1.00000
     80      -7.7030      1.00000
     81      -7.6352      1.00000
     82      -7.6257      1.00000
     83      -7.3883      1.00000
     84      -7.3449      1.00000
     85      -7.2193      1.00000
     86      -6.8440      1.00000
     87      -6.8211      1.00000
     88      -6.6400      1.00000
     89      -6.5301      1.00000
     90      -6.3414      1.00000
     91      -6.2734      1.00000
     92      -6.1961      1.00000
     93      -6.1327      1.00000
     94      -6.0216      1.00000
     95      -5.6364      1.00000
     96      -5.5091      1.00000
     97      -5.2983      1.00000
     98      -5.1565      1.00000
     99      -5.0406      1.00000
    100      -4.7261      1.00000
    101      -4.6859      1.00000
    102      -4.3677      1.00000
    103      -4.1841      1.00000
    104      -4.0079      1.00000
    105      -3.8258      1.00000
    106      -3.4844      1.00000
    107      -2.1650      0.00000
    108      -1.3842      0.00000
    109      -1.2355      0.00000
    110      -1.1856      0.00000
    111      -1.0147      0.00000
    112      -0.9555      0.00000
    113      -0.7975      0.00000
    114      -0.7526      0.00000
    115      -0.3678      0.00000
    116       0.2454      0.00000
    117       0.2763      0.00000
    118       0.3637      0.00000
    119       0.6971      0.00000
    120       0.8684      0.00000
    121       0.9655      0.00000
    122       1.1230      0.00000
    123       1.2325      0.00000
    124       1.4533      0.00000
    125       1.5515      0.00000
    126       1.7805      0.00000
    127       1.8501      0.00000
    128       1.8832      0.00000
    129       1.9821      0.00000
    130       2.0275      0.00000
    131       2.1971      0.00000
    132       2.2077      0.00000
    133       2.3992      0.00000
    134       2.4568      0.00000
    135       2.5536      0.00000
    136       2.6576      0.00000
    137       2.6844      0.00000
    138       2.7261      0.00000
    139       2.7669      0.00000
    140       2.8490      0.00000
    141       2.9626      0.00000
    142       3.0792      0.00000
    143       3.1916      0.00000
    144       3.2384      0.00000
    145       3.2556      0.00000
    146       3.2944      0.00000
    147       3.3314      0.00000
    148       3.4780      0.00000
    149       3.5058      0.00000
    150       3.7083      0.00000
    151       3.7199      0.00000
    152       3.7706      0.00000
    153       3.8584      0.00000
    154       3.8724      0.00000
    155       3.8985      0.00000
    156       3.9961      0.00000
    157       4.0022      0.00000
    158       4.0517      0.00000
    159       4.0637      0.00000
    160       4.0857      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3212      1.00000
      2     -21.7630      1.00000
      3     -21.5692      1.00000
      4     -21.5419      1.00000
      5     -21.2065      1.00000
      6     -21.1674      1.00000
      7     -20.9870      1.00000
      8     -20.1000      1.00000
      9     -20.0610      1.00000
     10     -19.5477      1.00000
     11     -19.5274      1.00000
     12     -19.3460      1.00000
     13     -19.0294      1.00000
     14     -18.9893      1.00000
     15     -18.9788      1.00000
     16     -18.9729      1.00000
     17     -18.2972      1.00000
     18     -18.2835      1.00000
     19     -17.9473      1.00000
     20     -17.0014      1.00000
     21     -16.9605      1.00000
     22     -16.8835      1.00000
     23     -16.8705      1.00000
     24     -16.4169      1.00000
     25     -16.3944      1.00000
     26     -15.5421      1.00000
     27     -15.5390      1.00000
     28     -15.1739      1.00000
     29     -15.1726      1.00000
     30     -15.1317      1.00000
     31     -15.0373      1.00000
     32     -15.0015      1.00000
     33     -14.6344      1.00000
     34     -14.6278      1.00000
     35     -13.6637      1.00000
     36     -13.6542      1.00000
     37     -13.1715      1.00000
     38     -12.5734      1.00000
     39     -12.5135      1.00000
     40     -12.3865      1.00000
     41     -12.3861      1.00000
     42     -12.0361      1.00000
     43     -12.0324      1.00000
     44     -11.6564      1.00000
     45     -11.6161      1.00000
     46     -11.2065      1.00000
     47     -11.1576      1.00000
     48     -10.9558      1.00000
     49     -10.9429      1.00000
     50     -10.8618      1.00000
     51     -10.8295      1.00000
     52     -10.6251      1.00000
     53     -10.1463      1.00000
     54     -10.0849      1.00000
     55     -10.0254      1.00000
     56      -9.9468      1.00000
     57      -9.6319      1.00000
     58      -9.6302      1.00000
     59      -9.6042      1.00000
     60      -9.5413      1.00000
     61      -9.5043      1.00000
     62      -9.4801      1.00000
     63      -9.2729      1.00000
     64      -9.2359      1.00000
     65      -9.2082      1.00000
     66      -9.1808      1.00000
     67      -9.0634      1.00000
     68      -9.0475      1.00000
     69      -9.0440      1.00000
     70      -8.8778      1.00000
     71      -8.8100      1.00000
     72      -8.5350      1.00000
     73      -8.5337      1.00000
     74      -8.4989      1.00000
     75      -8.0311      1.00000
     76      -7.8327      1.00000
     77      -7.8002      1.00000
     78      -7.7755      1.00000
     79      -7.7038      1.00000
     80      -7.6845      1.00000
     81      -7.4137      1.00000
     82      -7.2876      1.00000
     83      -7.2516      1.00000
     84      -7.2043      1.00000
     85      -7.0824      1.00000
     86      -7.0754      1.00000
     87      -6.9393      1.00000
     88      -6.7119      1.00000
     89      -6.6750      1.00000
     90      -6.6300      1.00000
     91      -6.5580      1.00000
     92      -6.0716      1.00000
     93      -6.0317      1.00000
     94      -6.0019      1.00000
     95      -5.9387      1.00000
     96      -5.8004      1.00000
     97      -5.1802      1.00000
     98      -4.8942      1.00000
     99      -4.7943      1.00000
    100      -4.6116      1.00000
    101      -4.5125      1.00000
    102      -4.1401      1.00000
    103      -4.0909      1.00000
    104      -3.9307      1.00000
    105      -3.9160      1.00000
    106      -3.8251      1.00000
    107      -1.7525      0.00000
    108      -1.6967      0.00000
    109      -1.4112      0.00000
    110      -1.3706      0.00000
    111      -1.2650      0.00000
    112      -1.2358      0.00000
    113      -0.6260      0.00000
    114      -0.5982      0.00000
    115      -0.1901      0.00000
    116       0.0408      0.00000
    117       0.5814      0.00000
    118       0.7407      0.00000
    119       0.8489      0.00000
    120       0.9277      0.00000
    121       1.1676      0.00000
    122       1.2099      0.00000
    123       1.2445      0.00000
    124       1.4155      0.00000
    125       1.5963      0.00000
    126       1.6342      0.00000
    127       1.7020      0.00000
    128       1.8055      0.00000
    129       1.9224      0.00000
    130       1.9395      0.00000
    131       2.1440      0.00000
    132       2.1701      0.00000
    133       2.2596      0.00000
    134       2.2979      0.00000
    135       2.5393      0.00000
    136       2.5546      0.00000
    137       2.6383      0.00000
    138       2.7588      0.00000
    139       2.8071      0.00000
    140       2.8477      0.00000
    141       2.8936      0.00000
    142       2.9437      0.00000
    143       3.0098      0.00000
    144       3.0246      0.00000
    145       3.0831      0.00000
    146       3.3068      0.00000
    147       3.3708      0.00000
    148       3.4213      0.00000
    149       3.4764      0.00000
    150       3.6042      0.00000
    151       3.6565      0.00000
    152       3.6671      0.00000
    153       3.6788      0.00000
    154       3.8886      0.00000
    155       3.9752      0.00000
    156       4.0219      0.00000
    157       4.0705      0.00000
    158       4.2344      0.00000
    159       4.2554      0.00000
    160       4.2629      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1425      1.00000
      2     -22.0496      1.00000
      3     -21.8875      1.00000
      4     -21.3369      1.00000
      5     -20.9782      1.00000
      6     -20.9486      1.00000
      7     -20.4294      1.00000
      8     -20.3974      1.00000
      9     -20.2173      1.00000
     10     -20.2154      1.00000
     11     -19.8892      1.00000
     12     -19.8254      1.00000
     13     -18.8189      1.00000
     14     -18.7482      1.00000
     15     -18.2672      1.00000
     16     -18.2525      1.00000
     17     -18.0814      1.00000
     18     -18.0747      1.00000
     19     -17.7473      1.00000
     20     -17.7309      1.00000
     21     -17.1958      1.00000
     22     -17.1725      1.00000
     23     -17.0897      1.00000
     24     -17.0693      1.00000
     25     -16.0549      1.00000
     26     -15.8100      1.00000
     27     -15.8003      1.00000
     28     -15.7785      1.00000
     29     -15.1601      1.00000
     30     -14.4868      1.00000
     31     -14.4655      1.00000
     32     -14.2052      1.00000
     33     -13.9169      1.00000
     34     -13.8875      1.00000
     35     -13.7594      1.00000
     36     -13.7396      1.00000
     37     -13.5376      1.00000
     38     -13.5111      1.00000
     39     -13.3028      1.00000
     40     -12.5776      1.00000
     41     -12.1025      1.00000
     42     -12.0778      1.00000
     43     -12.0001      1.00000
     44     -11.9523      1.00000
     45     -11.6059      1.00000
     46     -11.5983      1.00000
     47     -11.0851      1.00000
     48     -11.0621      1.00000
     49     -10.7332      1.00000
     50     -10.6660      1.00000
     51     -10.5588      1.00000
     52     -10.1404      1.00000
     53     -10.1360      1.00000
     54     -10.1020      1.00000
     55      -9.9666      1.00000
     56      -9.9262      1.00000
     57      -9.9227      1.00000
     58      -9.7514      1.00000
     59      -9.7298      1.00000
     60      -9.6980      1.00000
     61      -9.6953      1.00000
     62      -9.4009      1.00000
     63      -9.3905      1.00000
     64      -9.0688      1.00000
     65      -8.9829      1.00000
     66      -8.9822      1.00000
     67      -8.9069      1.00000
     68      -8.8134      1.00000
     69      -8.6500      1.00000
     70      -8.6344      1.00000
     71      -8.5472      1.00000
     72      -8.5031      1.00000
     73      -8.4841      1.00000
     74      -8.3950      1.00000
     75      -8.3834      1.00000
     76      -8.2107      1.00000
     77      -8.1022      1.00000
     78      -8.0079      1.00000
     79      -7.9021      1.00000
     80      -7.8432      1.00000
     81      -7.6222      1.00000
     82      -7.5338      1.00000
     83      -7.4584      1.00000
     84      -7.2527      1.00000
     85      -6.9423      1.00000
     86      -6.8692      1.00000
     87      -6.8100      1.00000
     88      -6.4786      1.00000
     89      -6.4698      1.00000
     90      -6.4104      1.00000
     91      -6.3607      1.00000
     92      -6.1895      1.00000
     93      -5.8588      1.00000
     94      -5.7384      1.00000
     95      -5.7120      1.00000
     96      -5.5240      1.00000
     97      -5.3296      1.00000
     98      -5.1731      1.00000
     99      -5.1680      1.00000
    100      -5.1346      1.00000
    101      -4.6964      1.00000
    102      -4.3482      1.00000
    103      -4.2784      1.00000
    104      -4.0278      1.00000
    105      -3.8273      1.00000
    106      -3.2334      1.00000
    107      -2.4060      0.00000
    108      -1.3465      0.00000
    109      -1.2434      0.00000
    110      -1.1541      0.00000
    111      -1.1088      0.00000
    112      -0.5843      0.00000
    113      -0.5210      0.00000
    114      -0.4341      0.00000
    115      -0.2751      0.00000
    116      -0.0715      0.00000
    117      -0.0114      0.00000
    118       0.0597      0.00000
    119       0.5831      0.00000
    120       0.7101      0.00000
    121       0.8072      0.00000
    122       0.9395      0.00000
    123       1.1791      0.00000
    124       1.5057      0.00000
    125       1.6167      0.00000
    126       1.8544      0.00000
    127       2.0013      0.00000
    128       2.0485      0.00000
    129       2.1086      0.00000
    130       2.1524      0.00000
    131       2.2666      0.00000
    132       2.2845      0.00000
    133       2.3490      0.00000
    134       2.4610      0.00000
    135       2.6097      0.00000
    136       2.6980      0.00000
    137       2.8151      0.00000
    138       2.9150      0.00000
    139       2.9426      0.00000
    140       3.0136      0.00000
    141       3.0462      0.00000
    142       3.1542      0.00000
    143       3.1658      0.00000
    144       3.2245      0.00000
    145       3.2974      0.00000
    146       3.3082      0.00000
    147       3.3517      0.00000
    148       3.3712      0.00000
    149       3.4137      0.00000
    150       3.4409      0.00000
    151       3.5579      0.00000
    152       3.6080      0.00000
    153       3.7039      0.00000
    154       3.7255      0.00000
    155       3.8434      0.00000
    156       3.9029      0.00000
    157       3.9292      0.00000
    158       3.9586      0.00000
    159       4.1426      0.00000
    160       4.1782      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2152      1.00000
      2     -22.0100      1.00000
      3     -21.6479      1.00000
      4     -21.6165      1.00000
      5     -20.9115      1.00000
      6     -20.8706      1.00000
      7     -20.5408      1.00000
      8     -20.5081      1.00000
      9     -20.5012      1.00000
     10     -19.9638      1.00000
     11     -19.4425      1.00000
     12     -19.4203      1.00000
     13     -19.2416      1.00000
     14     -19.2342      1.00000
     15     -18.3775      1.00000
     16     -18.3422      1.00000
     17     -17.8602      1.00000
     18     -17.8439      1.00000
     19     -17.6927      1.00000
     20     -17.6565      1.00000
     21     -17.3735      1.00000
     22     -17.3591      1.00000
     23     -17.2683      1.00000
     24     -16.4145      1.00000
     25     -16.3913      1.00000
     26     -15.9057      1.00000
     27     -15.3449      1.00000
     28     -15.3402      1.00000
     29     -15.0324      1.00000
     30     -15.0229      1.00000
     31     -14.7773      1.00000
     32     -14.7754      1.00000
     33     -14.2385      1.00000
     34     -14.1875      1.00000
     35     -13.3884      1.00000
     36     -13.3338      1.00000
     37     -13.1121      1.00000
     38     -13.1044      1.00000
     39     -12.9191      1.00000
     40     -12.9134      1.00000
     41     -12.5463      1.00000
     42     -12.5390      1.00000
     43     -12.1340      1.00000
     44     -11.5153      1.00000
     45     -11.4709      1.00000
     46     -11.2462      1.00000
     47     -11.2147      1.00000
     48     -11.0866      1.00000
     49     -10.7049      1.00000
     50     -10.5962      1.00000
     51     -10.5102      1.00000
     52     -10.2523      1.00000
     53     -10.2485      1.00000
     54     -10.1226      1.00000
     55     -10.0549      1.00000
     56     -10.0402      1.00000
     57      -9.7850      1.00000
     58      -9.6878      1.00000
     59      -9.6747      1.00000
     60      -9.6382      1.00000
     61      -9.6288      1.00000
     62      -9.5871      1.00000
     63      -9.2962      1.00000
     64      -9.2843      1.00000
     65      -9.2545      1.00000
     66      -9.0642      1.00000
     67      -8.8955      1.00000
     68      -8.8849      1.00000
     69      -8.7197      1.00000
     70      -8.5811      1.00000
     71      -8.5274      1.00000
     72      -8.3516      1.00000
     73      -8.3058      1.00000
     74      -8.2448      1.00000
     75      -8.2392      1.00000
     76      -8.1952      1.00000
     77      -8.1828      1.00000
     78      -8.1705      1.00000
     79      -8.1064      1.00000
     80      -7.6905      1.00000
     81      -7.4180      1.00000
     82      -7.3434      1.00000
     83      -7.2586      1.00000
     84      -7.1689      1.00000
     85      -7.1114      1.00000
     86      -7.0048      1.00000
     87      -6.9049      1.00000
     88      -6.8482      1.00000
     89      -6.5432      1.00000
     90      -6.4985      1.00000
     91      -6.2117      1.00000
     92      -6.2028      1.00000
     93      -5.8957      1.00000
     94      -5.6741      1.00000
     95      -5.6077      1.00000
     96      -5.5812      1.00000
     97      -5.2541      1.00000
     98      -5.2322      1.00000
     99      -5.1654      1.00000
    100      -5.1351      1.00000
    101      -4.5994      1.00000
    102      -4.2485      1.00000
    103      -4.0444      1.00000
    104      -3.8851      1.00000
    105      -3.8398      1.00000
    106      -3.8004      1.00000
    107      -1.8084      0.00000
    108      -1.7815      0.00000
    109      -1.2267      0.00000
    110      -1.1749      0.00000
    111      -0.9743      0.00000
    112      -0.7354      0.00000
    113      -0.6498      0.00000
    114      -0.5943      0.00000
    115      -0.5496      0.00000
    116      -0.1549      0.00000
    117       0.1765      0.00000
    118       0.2880      0.00000
    119       0.7029      0.00000
    120       0.9453      0.00000
    121       1.1689      0.00000
    122       1.2773      0.00000
    123       1.3413      0.00000
    124       1.5082      0.00000
    125       1.6059      0.00000
    126       1.6262      0.00000
    127       1.6906      0.00000
    128       1.7725      0.00000
    129       1.8577      0.00000
    130       2.0777      0.00000
    131       2.1613      0.00000
    132       2.3212      0.00000
    133       2.3889      0.00000
    134       2.4234      0.00000
    135       2.5511      0.00000
    136       2.6217      0.00000
    137       2.6869      0.00000
    138       2.7478      0.00000
    139       2.8144      0.00000
    140       2.9074      0.00000
    141       3.0512      0.00000
    142       3.0590      0.00000
    143       3.1784      0.00000
    144       3.2787      0.00000
    145       3.3755      0.00000
    146       3.4104      0.00000
    147       3.4574      0.00000
    148       3.5478      0.00000
    149       3.5720      0.00000
    150       3.6322      0.00000
    151       3.6613      0.00000
    152       3.7014      0.00000
    153       3.7854      0.00000
    154       3.7984      0.00000
    155       3.8199      0.00000
    156       3.8890      0.00000
    157       3.9059      0.00000
    158       3.9747      0.00000
    159       4.1874      0.00000
    160       4.2287      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0391   -7.2569    3.9829   -1.1316   -0.1849   17.3727    0.4915   -0.8147    0.7708   -0.4763
x    -3.1263   -0.0252   -0.0207   -0.0262    0.0910   -3.0538    0.0302   -0.0243    0.0084    0.0018
x    -0.0953   -0.0029    0.0036   -0.0031    0.0021   -0.0242    0.0000    0.0000   -0.0001    0.0001
x    -0.0035   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0391    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0034    0.0000    0.0004    0.0007    0.0028   -0.0985   -0.0315    0.0618    0.0182
y     0.0231   -3.2431   -0.1790    0.1693   -2.4112   -0.6651
z   204.0391    1.7362    0.2879    0.0898   -0.0013    0.0776   -0.0019    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1048    0.0015   -0.0009   -0.0001    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0013   -0.0001    0.0001    0.0000
z    -0.0001    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  -16.7052
z     0.1401    0.2292   -0.0318    0.0573   -0.0903    0.0006
 total charge-density along one line
x   212.0000  -10.0882    5.9298   -1.9405   -0.4205   19.2920   -0.6580    0.2077    0.0657   -0.1057
x    -2.7064   -0.0089    0.0017   -0.0452    0.0969   -2.3453    0.0476   -0.0343    0.0117    0.0024
x    -0.0854   -0.0055    0.0083   -0.0079    0.0053   -0.0375    0.0000   -0.0001    0.0004   -0.0004
x    -0.0054    0.0000   -0.0002    0.0001    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  -10.0882    5.9298   -1.9405   -0.4205   19.2920   -0.6580    0.2077    0.0657   -0.1057
y    -2.7064   -0.0089    0.0017   -0.0452    0.0969   -2.3453    0.0476   -0.0343    0.0117    0.0024
y    -0.0854   -0.0055    0.0083   -0.0079    0.0053   -0.0375    0.0000   -0.0001    0.0004   -0.0004
y    -0.0054    0.0000   -0.0002    0.0001    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 -205.3014  188.8602 -170.1598  154.0957 -140.4340  126.5365 -111.0515   94.7718  -79.0971
z    64.7232  -51.7844   40.5537  -31.5133   24.8021  -19.8804   15.8766  -12.2212    8.9104   -6.2239
z     4.2945   -2.9629    1.9639   -1.1547    0.5444   -0.1596   -0.0590    0.2211   -0.3848    0.5198
z    -0.5684    0.5238   -0.4399    0.3763   -0.3482    0.3298   -0.2952    0.2451   -0.1975    0.1644
z    -0.1416    0.1197   -0.0957    0.0747   -0.0611    0.0533   -0.0468    0.0391   -0.0313    0.0258
z    -0.0227    0.0203   -0.0173    0.0141   -0.0113    0.0093   -0.0076    0.0058   -0.0043    0.0032
z    -0.0022    0.0013   -0.0004   -0.0002    0.0004   -0.0004    0.0005   -0.0008    0.0009   -0.0007
z     0.0004   -0.0002    0.0001   -0.0001    0.0000    0.0002   -0.0003    0.0003   -0.0003    0.0003
z    -0.0003    0.0003   -0.0002    0.0002   -0.0002    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001
z     0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 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
-10.939   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.268   0.000  -0.101   0.000   0.000   0.239   0.000
  0.041   0.000 -11.243   0.000  -0.024  -0.006   0.000   0.238
  0.000  -0.101   0.000 -11.151   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.937   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.238   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.226   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.199   0.000   0.000   0.000
  0.036   0.000   0.100   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.026   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.939   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.268   0.000  -0.101   0.000   0.000   0.239   0.000
  0.041   0.000 -11.243   0.000  -0.024  -0.006   0.000   0.238
  0.000  -0.101   0.000 -11.151   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.937   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.238   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.226   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.199   0.000   0.000   0.000
  0.036   0.000   0.100   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.026   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.960   0.000  -0.027   0.000   0.002   0.021   0.000   0.057   0.000  -0.014  -0.026   0.025   0.000  -0.001   0.000   0.000
  0.000   1.586   0.000  -0.148   0.000   0.000   0.593   0.000   0.260   0.000   0.000   0.000   0.160   0.000   0.106  -0.035
 -0.027   0.000   1.789   0.000   0.019   0.044   0.000   0.353   0.000  -0.027  -0.232  -0.043   0.000   0.096   0.000   0.000
  0.000  -0.148   0.000   1.756   0.000   0.000   0.260   0.000   0.293   0.000   0.000   0.000   0.108   0.000   0.039   0.005
  0.002   0.000   0.019   0.000   1.966  -0.014   0.000  -0.035   0.000   0.003   0.010  -0.015   0.000   0.003   0.000   0.000
  0.021   0.000   0.044   0.000  -0.014   0.063   0.000   0.101   0.000  -0.024   0.192  -0.053   0.000   0.115   0.000   0.000
  0.000   0.593   0.000   0.260   0.000   0.000   0.328   0.000   0.106   0.000   0.000   0.000   0.057   0.000   0.066  -0.011
  0.057   0.000   0.353   0.000  -0.035   0.101   0.000   0.560   0.000  -0.057   0.699  -0.291   0.000   0.087   0.000   0.000
  0.000   0.260   0.000   0.293   0.000   0.000   0.106   0.000   0.206   0.000   0.000   0.000   0.065   0.000  -0.019  -0.006
 -0.014   0.000  -0.027   0.000   0.003  -0.024   0.000  -0.057   0.000   0.036  -0.109   0.031   0.000  -0.068   0.000   0.000
 -0.026   0.000  -0.232   0.000   0.010   0.192   0.000   0.699   0.000  -0.109   1.350  -0.432   0.000   0.266   0.000   0.000
  0.025   0.000  -0.043   0.000  -0.015  -0.053   0.000  -0.291   0.000   0.031  -0.432   0.192   0.000  -0.034   0.000   0.000
  0.000   0.160   0.000   0.108   0.000   0.000   0.057   0.000   0.065   0.000   0.000   0.000   0.043   0.000   0.012  -0.004
 -0.001   0.000   0.096   0.000   0.003   0.115   0.000   0.087   0.000  -0.068   0.266  -0.034   0.000   0.308   0.000   0.000
  0.000   0.106   0.000   0.039   0.000   0.000   0.066   0.000  -0.019   0.000   0.000   0.000   0.012   0.000   0.031  -0.002
  0.000  -0.035   0.000   0.005   0.000   0.000  -0.011   0.000  -0.006   0.000   0.000   0.000  -0.004   0.000  -0.002   0.001
  0.001   0.000  -0.037   0.000  -0.001  -0.005   0.000  -0.009   0.000   0.003  -0.007   0.000   0.000  -0.014   0.000   0.000
  0.000   0.005   0.000  -0.041   0.000   0.000  -0.006   0.000  -0.004   0.000   0.000   0.000  -0.002   0.000  -0.002   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        0.638   0.276   8.026   8.940
  2        0.514   0.028   0.000   0.542
  3        0.514   0.028   0.000   0.542
  4        0.864   1.783   0.000   2.647
  5        0.864   1.783   0.000   2.646
  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   1.783   0.000   2.647
 10        0.864   1.784   0.000   2.648
 11        0.863   1.783   0.000   2.646
 12        0.864   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.646
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.863   1.777   0.000   2.640
 17        0.856   1.773   0.000   2.629
 18        0.864   1.784   0.000   2.648
 19        0.864   1.782   0.000   2.646
 20        0.864   1.782   0.000   2.646
 21        0.863   1.781   0.000   2.645
 22        0.863   1.776   0.000   2.640
 23        0.863   1.783   0.000   2.646
 24        0.864   1.783   0.000   2.647
 25        0.864   1.783   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   1.783   0.000   2.647
 29        0.864   1.783   0.000   2.647
 30        0.864   1.783   0.000   2.647
 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   2.646
 34        0.864   1.782   0.000   2.646
 35        0.863   1.783   0.000   2.646
 36        0.863   1.776   0.000   2.640
 37        0.863   1.781   0.000   2.645
 38        0.864   1.782   0.000   2.646
 39        0.864   1.784   0.000   2.648
 40        0.864   1.784   0.000   2.648
 41        0.856   1.773   0.000   2.629
 42        0.863   1.777   0.000   2.640
 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   2.646
 46        0.864   1.785   0.000   2.648
 47        0.863   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   1.783   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   1.783   0.000   2.646
------------------------------------------------
tot       44.832  89.440   8.026 142.298
 


 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  114.53: CPU time   57.86
    FORLOC:  VPU time    1.26: CPU time    1.26
    FORNL :  VPU time  443.23: CPU time  222.52
    STRESS:  VPU time 1330.93: CPU time  670.80
    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    0.17
 d Force = 0.2940596E-05[-0.134E-05, 0.722E-05]  d Energy = 0.1310498E-05 0.163E-05
 d Force = 0.3317812E+00[ 0.332E+00, 0.332E+00]  d Ewald  =-0.4273802E+00 0.759E+00


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.644865 eV

  energy  without entropy=     -471.644865  energy(sigma->0) =     -471.644865
 

  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    40735.19  40752.22 -47437.39     14.75      0.00      0.00
  Hartree  40200.85  40204.66 -39455.40      3.30      0.00      0.00
  E(xc)     -779.75   -779.56   -807.28      0.17      0.00      0.00
  Local   -83229.22 -83243.86  84210.12    -12.68      0.00      0.00
  n-local   -215.84   -215.73   -203.86     -0.16      0.00      0.00
  augment     22.09     20.53     17.36     -1.36      0.00      0.00
  Kinetic   3168.88   3171.48   3582.27     -6.21      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.09     -0.10     -0.25     -0.01      0.00      0.00
  in kB       -0.05     -0.06     -0.15     -0.01      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
    12.347007917  0.001760121  0.000000000     0.080984619  0.046741167  0.000000000
    -6.171986292 10.693698629  0.000000000    -0.000013330  0.093505322  0.000000000
     0.000000000  0.000000000 19.978347791     0.000000000  0.000000000  0.050054189

  length of vectors
    12.347008043 12.347007944 19.978347791     0.093505322  0.093505323  0.050054189


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.392E-05 -.457E-04 -.960E+03   0.432E-05 -.275E-04 0.968E+03   -.258E-20 -.318E-22 -.791E+01   -.292E-07 0.138E-07 -.526E-02
   -.175E+02 -.304E+02 -.136E+03   0.184E+02 0.318E+02 0.138E+03   -.828E+00 -.143E+01 -.258E+01   0.132E-03 0.227E-03 0.278E-03
   0.175E+02 0.304E+02 -.136E+03   -.184E+02 -.318E+02 0.138E+03   0.828E+00 0.143E+01 -.258E+01   -.132E-03 -.227E-03 0.278E-03
   -.196E+01 0.113E+01 0.170E+02   0.197E+01 -.114E+01 -.170E+02   -.891E-02 0.515E-02 -.874E-02   -.545E-04 0.285E-04 0.563E-03
   0.580E+01 0.689E+01 0.198E+02   -.580E+01 -.693E+01 -.197E+02   0.694E-02 0.333E-01 -.198E-01   0.165E-04 -.215E-03 0.501E-03
   0.112E+02 0.508E+01 0.184E+02   -.113E+02 -.509E+01 -.183E+02   0.262E-01 0.707E-02 -.545E-01   -.131E-03 -.182E-03 -.102E-03
   0.454E+01 -.100E+01 0.164E+02   -.456E+01 0.102E+01 -.164E+02   0.193E-01 -.187E-01 -.126E-02   -.163E-03 -.317E-05 -.321E-03
   -.291E+01 -.240E+01 0.150E+02   0.292E+01 0.241E+01 -.150E+02   -.157E-01 -.169E-01 -.129E-02   -.118E-03 -.385E-04 0.175E-03
   0.621E+00 0.372E+01 0.150E+02   -.626E+00 -.374E+01 -.150E+02   0.676E-02 0.221E-01 -.129E-02   -.309E-04 0.115E-03 0.171E-03
   0.273E+01 0.182E+02 0.247E+02   -.274E+01 -.183E+02 -.247E+02   0.105E-01 0.109E+00 -.462E-02   -.307E-04 -.154E-04 -.803E-04
   0.214E+02 0.226E+02 0.397E+02   -.216E+02 -.229E+02 -.397E+02   0.119E+00 0.228E+00 -.191E-01   -.101E-03 -.462E-03 -.939E-03
   0.265E+02 -.449E+01 0.269E+02   -.267E+02 0.460E+01 -.268E+02   0.236E+00 -.120E+00 -.587E-01   -.264E-03 -.169E-03 -.884E-03
   0.919E+01 -.531E+01 0.155E+02   -.921E+01 0.532E+01 -.155E+02   0.167E-01 -.962E-02 -.125E-03   -.828E-04 0.416E-04 -.144E-03
   0.314E+01 -.343E+01 0.164E+02   -.316E+01 0.344E+01 -.164E+02   0.258E-01 -.742E-02 -.126E-02   -.809E-04 0.138E-03 -.329E-03
   -.605E+01 0.132E+02 0.199E+02   0.606E+01 -.132E+02 -.199E+02   -.358E-02 0.746E-01 -.113E-01   -.330E-04 0.268E-04 -.592E-03
   -.123E+02 0.335E+02 0.459E+02   0.124E+02 -.342E+02 -.463E+02   -.893E-01 0.680E+00 0.344E+00   0.986E-04 -.368E-03 -.888E-03
   0.263E+02 -.152E+02 0.699E+02   -.273E+02 0.158E+02 -.720E+02   0.971E+00 -.561E+00 0.211E+01   0.199E-03 -.118E-03 -.104E-03
   0.171E+02 -.207E+02 0.269E+02   -.174E+02 0.209E+02 -.268E+02   0.222E+00 -.144E+00 -.587E-01   0.119E-04 0.306E-03 -.889E-03
   0.123E+01 -.123E+02 0.184E+02   -.123E+01 0.123E+02 -.183E+02   0.698E-02 -.262E-01 -.545E-01   0.947E-04 0.203E-03 -.108E-03
   -.388E+01 0.155E+01 0.144E+02   0.389E+01 -.155E+01 -.144E+02   -.580E-02 0.364E-02 -.413E-01   0.981E-04 -.105E-03 -.741E-04
   -.182E+02 0.105E+02 0.212E+02   0.182E+02 -.105E+02 -.211E+02   -.652E-01 0.377E-01 -.120E+00   0.222E-03 -.124E-03 -.552E-03
   -.351E+02 -.612E+01 0.459E+02   0.358E+02 0.638E+01 -.463E+02   -.633E+00 -.263E+00 0.344E+00   0.371E-03 0.976E-04 -.885E-03
   -.887E+01 -.299E+02 0.397E+02   0.901E+01 0.301E+02 -.397E+02   -.138E+00 -.217E+00 -.191E-01   0.353E-03 0.314E-03 -.940E-03
   -.307E+01 -.847E+01 0.198E+02   0.310E+01 0.849E+01 -.197E+02   -.254E-01 -.227E-01 -.198E-01   0.196E-03 0.913E-04 0.501E-03
   0.126E+01 -.726E+00 0.147E+02   -.125E+01 0.724E+00 -.147E+02   -.207E-02 0.119E-02 -.324E-01   0.958E-04 -.532E-04 0.370E-03
   -.328E+01 0.258E+01 0.144E+02   0.329E+01 -.259E+01 -.144E+02   -.606E-02 0.320E-02 -.413E-01   0.142E-03 -.281E-04 -.693E-04
   -.144E+02 -.134E+01 0.199E+02   0.145E+02 0.137E+01 -.199E+02   -.664E-01 -.342E-01 -.113E-01   -.379E-04 0.137E-04 -.584E-03
   -.144E+02 -.115E+02 0.247E+02   0.145E+02 0.115E+02 -.247E+02   -.889E-01 -.635E-01 -.462E-02   -.239E-06 0.291E-04 -.773E-04
   0.307E+01 0.847E+01 0.198E+02   -.310E+01 -.849E+01 -.197E+02   0.254E-01 0.227E-01 -.198E-01   -.196E-03 -.912E-04 0.501E-03
   0.144E+02 0.115E+02 0.247E+02   -.145E+02 -.115E+02 -.247E+02   0.889E-01 0.635E-01 -.462E-02   0.238E-06 -.291E-04 -.773E-04
   0.144E+02 0.134E+01 0.199E+02   -.145E+02 -.137E+01 -.199E+02   0.664E-01 0.342E-01 -.113E-01   0.380E-04 -.137E-04 -.584E-03
   0.328E+01 -.258E+01 0.144E+02   -.329E+01 0.259E+01 -.144E+02   0.606E-02 -.320E-02 -.413E-01   -.142E-03 0.280E-04 -.693E-04
   -.126E+01 0.726E+00 0.147E+02   0.125E+01 -.724E+00 -.147E+02   0.207E-02 -.119E-02 -.324E-01   -.958E-04 0.532E-04 0.370E-03
   -.123E+01 0.123E+02 0.184E+02   0.123E+01 -.123E+02 -.183E+02   -.698E-02 0.262E-01 -.545E-01   -.947E-04 -.203E-03 -.108E-03
   0.887E+01 0.299E+02 0.397E+02   -.901E+01 -.301E+02 -.397E+02   0.138E+00 0.217E+00 -.191E-01   -.353E-03 -.314E-03 -.940E-03
   0.351E+02 0.612E+01 0.459E+02   -.358E+02 -.638E+01 -.463E+02   0.633E+00 0.263E+00 0.344E+00   -.371E-03 -.976E-04 -.885E-03
   0.182E+02 -.105E+02 0.212E+02   -.182E+02 0.105E+02 -.211E+02   0.652E-01 -.377E-01 -.120E+00   -.222E-03 0.124E-03 -.552E-03
   0.388E+01 -.155E+01 0.144E+02   -.389E+01 0.155E+01 -.144E+02   0.580E-02 -.364E-02 -.413E-01   -.981E-04 0.105E-03 -.741E-04
   -.314E+01 0.343E+01 0.164E+02   0.316E+01 -.344E+01 -.164E+02   -.258E-01 0.742E-02 -.126E-02   0.809E-04 -.138E-03 -.329E-03
   -.171E+02 0.207E+02 0.269E+02   0.174E+02 -.209E+02 -.268E+02   -.222E+00 0.144E+00 -.587E-01   -.119E-04 -.306E-03 -.889E-03
   -.263E+02 0.152E+02 0.699E+02   0.273E+02 -.158E+02 -.720E+02   -.971E+00 0.561E+00 0.211E+01   -.199E-03 0.118E-03 -.104E-03
   0.123E+02 -.335E+02 0.459E+02   -.124E+02 0.342E+02 -.463E+02   0.893E-01 -.680E+00 0.344E+00   -.986E-04 0.368E-03 -.888E-03
   0.605E+01 -.132E+02 0.199E+02   -.606E+01 0.132E+02 -.199E+02   0.358E-02 -.746E-01 -.113E-01   0.330E-04 -.268E-04 -.592E-03
   -.621E+00 -.372E+01 0.150E+02   0.626E+00 0.374E+01 -.150E+02   -.676E-02 -.221E-01 -.129E-02   0.309E-04 -.115E-03 0.171E-03
   -.919E+01 0.531E+01 0.155E+02   0.921E+01 -.532E+01 -.155E+02   -.167E-01 0.962E-02 -.125E-03   0.829E-04 -.416E-04 -.144E-03
   -.265E+02 0.449E+01 0.269E+02   0.267E+02 -.460E+01 -.268E+02   -.236E+00 0.120E+00 -.587E-01   0.264E-03 0.169E-03 -.884E-03
   -.214E+02 -.226E+02 0.397E+02   0.216E+02 0.229E+02 -.397E+02   -.119E+00 -.228E+00 -.191E-01   0.101E-03 0.462E-03 -.939E-03
   -.273E+01 -.182E+02 0.247E+02   0.274E+01 0.183E+02 -.247E+02   -.105E-01 -.109E+00 -.462E-02   0.307E-04 0.154E-04 -.803E-04
   0.196E+01 -.113E+01 0.170E+02   -.197E+01 0.114E+01 -.170E+02   0.891E-02 -.515E-02 -.874E-02   0.545E-04 -.285E-04 0.563E-03
   0.291E+01 0.240E+01 0.150E+02   -.292E+01 -.241E+01 -.150E+02   0.157E-01 0.169E-01 -.129E-02   0.118E-03 0.385E-04 0.175E-03
   -.454E+01 0.100E+01 0.164E+02   0.456E+01 -.102E+01 -.164E+02   -.193E-01 0.187E-01 -.126E-02   0.163E-03 0.317E-05 -.321E-03
   -.112E+02 -.508E+01 0.184E+02   0.113E+02 0.509E+01 -.183E+02   -.262E-01 -.707E-02 -.545E-01   0.131E-03 0.182E-03 -.102E-03
   -.580E+01 -.689E+01 0.198E+02   0.580E+01 0.693E+01 -.197E+02   -.694E-02 -.333E-01 -.198E-01   -.165E-04 0.215E-03 0.501E-03
 -----------------------------------------------------------------------------------------------
   -.182E-02 0.308E-03 0.865E+01   -.306E-12 -.124E-12 -.298E-12   -.555E-16 -.132E-15 -.864E+01   -.342E-07 0.138E-07 -.173E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85291      6.06053     12.33616         0.000000      0.000000      0.023345
      2.26115      6.76762     13.65521        -0.000901     -0.001560     -0.006104
      1.44467      5.35343     13.65521         0.000901      0.001560     -0.006104
      0.00057     -0.00033      9.95796         0.000241     -0.000139     -0.004951
     11.11179      2.13933      9.95967         0.001757     -0.000550     -0.002759
      9.87630      4.27884      9.97171         0.002415     -0.006488     -0.000158
      8.64314      6.41804      9.97086        -0.001928     -0.004418      0.000992
     -4.93590      8.55507      9.96631        -0.002133     -0.003740     -0.001549
      2.47014     -0.00117      9.96631         0.002172      0.003717     -0.001549
      1.23468      2.13604      9.97127         0.003664     -0.004786      0.002624
     -0.00399      4.27468     10.00031         0.006248     -0.003369     -0.001209
     -1.23830      6.41570     10.00607         0.000272     -0.002632     -0.000153
     -2.46685      8.55454      9.97896        -0.004143      0.002392     -0.001830
      4.93841      0.00126      9.97086         0.002862      0.003879      0.000992
      3.70469      2.13643      9.97903         0.004646      0.001672     -0.000337
      2.47061      4.26300     10.04366         0.005215     -0.003438     -0.002337
      1.22840      6.42109     10.11422         0.007506     -0.004333      0.012237
     -0.00029      8.56000     10.00607         0.002415      0.001081     -0.000153
      7.40760      0.00291      9.97171         0.006826      0.001153     -0.000158
      6.17315      2.14004      9.97184         0.002241      0.002705     -0.001195
      4.94021      4.27807      9.99984        -0.003174      0.001833      0.004469
      3.71846      6.42435     10.04366         0.005585     -0.002797     -0.002337
      2.47105      8.56158     10.00031         0.006041     -0.003727     -0.001209
      9.87821      0.00270      9.95967         0.001355     -0.001246     -0.002759
      8.64237      2.14063      9.96270         0.000660     -0.000381     -0.003333
      7.40827      4.27934      9.97184        -0.001222     -0.003293     -0.001195
      6.17717      6.41889      9.97903         0.000875     -0.004860     -0.000337
      4.94250      8.55818      9.97127         0.005977     -0.000780      0.002624
     -0.00040      1.42465      9.95967        -0.001355      0.001246     -0.002759
     -1.23667      3.56287      9.97127        -0.005977      0.000780      0.002624
     -2.47135      5.70216      9.97903        -0.000875      0.004860     -0.000337
     -3.70245      7.84172      9.97184         0.001222      0.003293     -0.001195
     -4.93655      9.98042      9.96270        -0.000660      0.000381     -0.003333
      2.47021      1.42444      9.97171        -0.006826     -0.001153     -0.000158
      1.23478      3.55947     10.00031        -0.006041      0.003727     -0.001209
     -0.01264      5.69670     10.04366        -0.005585      0.002797     -0.002337
     -1.23439      7.84298      9.99984         0.003174     -0.001833      0.004469
     -2.46733      9.98101      9.97184        -0.002241     -0.002705     -0.001195
      4.93940      1.42609      9.97086        -0.002862     -0.003879      0.000992
      3.70611      3.56105     10.00607        -0.002415     -0.001081     -0.000153
      2.47742      5.69996     10.11422        -0.007506      0.004333      0.012237
      1.23521      7.85805     10.04366        -0.005215      0.003438     -0.002337
      0.00113      9.98462      9.97903        -0.004646     -0.001672     -0.000337
      7.40766      1.42852      9.96631        -0.002172     -0.003717     -0.001549
      6.17268      3.56651      9.97896         0.004143     -0.002392     -0.001830
      4.94412      5.70535     10.00607        -0.000272      0.002632     -0.000153
      3.70982      7.84637     10.00031        -0.006248      0.003369     -0.001209
      2.47115      9.98501      9.97127        -0.003664      0.004786      0.002624
      9.87724      1.42768      9.95796        -0.000241      0.000139     -0.004951
      8.64172      3.56598      9.96631         0.002133      0.003740     -0.001549
      7.40969      5.70477      9.97086         0.001928      0.004418      0.000992
      6.17653      7.84397      9.97171        -0.002415      0.006488     -0.000158
      4.94104      9.98348      9.95967        -0.001757      0.000550     -0.002759
 -----------------------------------------------------------------------------------
    total drift:                               -0.001816      0.000308     -0.012686


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




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


    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  183.44: CPU time   92.11
     LOOP+:  VPU time 5290.18: CPU time 2732.35


----------------------------------------- Iteration   21(   1)  ---------------------------------------


    POTLOK:  VPU time    9.23: CPU time    9.05
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1786.88: CPU time  926.14
 BZINTS: Fermi energy: -3.079931;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   57.72
    MIXING:  VPU time    0.16: CPU time    0.16
    ------------------------------------------
      LOOP:  VPU time 1911.05: CPU time  993.45

 eigenvalue-minimisations  :  5832
 total energy-change (2. order) :-0.4716449E+03  (-0.5175958E-03)
 number of electron  212.0000030 magnetization    0.0000000
 augmentation part     7.9608886 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.13313E-02    rms(broyden)= 0.13308E-02
  rms(prec ) = 0.14241E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34048.48928313
  -1/2 Hartree   DENC   =    -40948.53275919
  -V(xc)+E(xc)   XCENC  =       726.61825791
  PAW double counting   =      4093.05412318    -4131.43074214
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.28289743
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64488095 eV

  energy without entropy =     -471.64488095  energy(sigma->0) =     -471.64488095


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




----------------------------------------- Iteration   21(   2)  ---------------------------------------


    POTLOK:  VPU time    9.07: CPU time    9.07
    SETDIJ:  VPU time    0.35: CPU time    0.34
    EDDAV :  VPU time 1466.74: CPU time  757.50
 BZINTS: Fermi energy: -3.081050;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1476.19: CPU time  766.95

 eigenvalue-minimisations  :  4384
 total energy-change (2. order) :-0.4622150E-05  (-0.8597624E-05)
 number of electron  212.0000030 magnetization    0.0000000
 augmentation part     7.9608886 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34048.48928313
  -1/2 Hartree   DENC   =    -40948.50815363
  -V(xc)+E(xc)   XCENC  =       726.61807739
  PAW double counting   =      4093.01873587    -4131.39491490
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.30776703
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64488557 eV

  energy without entropy =     -471.64488557  energy(sigma->0) =     -471.64488557


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




 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 -58.5352       2 -39.9769       3 -39.9769       4 -58.2443       5 -58.2489
       6 -58.2562       7 -58.2470       8 -58.2450       9 -58.2450      10 -58.2611
      11 -58.3159      12 -58.2928      13 -58.2500      14 -58.2470      15 -58.2578
      16 -58.4381      17 -58.7317      18 -58.2929      19 -58.2562      20 -58.2504
      21 -58.2775      22 -58.4381      23 -58.3159      24 -58.2489      25 -58.2437
      26 -58.2504      27 -58.2578      28 -58.2611      29 -58.2488      30 -58.2610
      31 -58.2577      32 -58.2504      33 -58.2436      34 -58.2561      35 -58.3158
      36 -58.4380      37 -58.2774      38 -58.2504      39 -58.2469      40 -58.2927
      41 -58.7316      42 -58.4380      43 -58.2577      44 -58.2449      45 -58.2499
      46 -58.2927      47 -58.3158      48 -58.2610      49 -58.2442      50 -58.2449
      51 -58.2469      52 -58.2562      53 -58.2489
 
 
 
 E-fermi :  -3.0811     XC(G=0):  -2.3482     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     -22.3575      1.00000
      2     -21.5377      1.00000
      3     -21.4080      1.00000
      4     -21.4070      1.00000
      5     -21.3757      1.00000
      6     -21.3666      1.00000
      7     -21.3594      1.00000
      8     -19.6468      1.00000
      9     -19.5731      1.00000
     10     -19.5661      1.00000
     11     -19.5593      1.00000
     12     -19.5410      1.00000
     13     -19.5383      1.00000
     14     -18.7287      1.00000
     15     -18.6804      1.00000
     16     -18.6729      1.00000
     17     -18.6595      1.00000
     18     -18.6439      1.00000
     19     -18.6422      1.00000
     20     -16.5862      1.00000
     21     -16.5270      1.00000
     22     -16.5245      1.00000
     23     -16.5117      1.00000
     24     -16.4872      1.00000
     25     -16.4856      1.00000
     26     -15.5590      1.00000
     27     -15.5270      1.00000
     28     -15.5263      1.00000
     29     -15.5006      1.00000
     30     -15.4955      1.00000
     31     -15.4897      1.00000
     32     -14.2065      1.00000
     33     -14.1809      1.00000
     34     -14.1681      1.00000
     35     -14.1658      1.00000
     36     -14.1603      1.00000
     37     -14.1492      1.00000
     38     -11.8829      1.00000
     39     -11.8081      1.00000
     40     -11.7927      1.00000
     41     -11.7923      1.00000
     42     -11.7891      1.00000
     43     -11.7833      1.00000
     44     -11.7054      1.00000
     45     -11.6986      1.00000
     46     -11.6732      1.00000
     47     -11.6586      1.00000
     48     -11.6582      1.00000
     49     -11.6511      1.00000
     50     -10.6728      1.00000
     51     -10.3295      1.00000
     52     -10.3215      1.00000
     53     -10.3061      1.00000
     54     -10.3046      1.00000
     55     -10.2915      1.00000
     56     -10.2786      1.00000
     57      -9.9261      1.00000
     58      -9.3734      1.00000
     59      -9.3600      1.00000
     60      -9.3009      1.00000
     61      -9.2927      1.00000
     62      -9.2860      1.00000
     63      -9.0922      1.00000
     64      -9.0549      1.00000
     65      -9.0498      1.00000
     66      -9.0271      1.00000
     67      -9.0070      1.00000
     68      -9.0022      1.00000
     69      -9.0008      1.00000
     70      -8.9959      1.00000
     71      -8.9920      1.00000
     72      -8.9726      1.00000
     73      -8.9653      1.00000
     74      -8.9542      1.00000
     75      -8.4926      1.00000
     76      -7.5143      1.00000
     77      -7.4103      1.00000
     78      -7.4100      1.00000
     79      -7.3997      1.00000
     80      -7.3840      1.00000
     81      -7.3641      1.00000
     82      -7.3418      1.00000
     83      -7.3108      1.00000
     84      -7.2689      1.00000
     85      -7.2073      1.00000
     86      -7.1807      1.00000
     87      -7.1804      1.00000
     88      -7.0758      1.00000
     89      -6.5081      1.00000
     90      -6.4615      1.00000
     91      -6.3558      1.00000
     92      -6.2942      1.00000
     93      -6.2883      1.00000
     94      -6.2871      1.00000
     95      -5.8970      1.00000
     96      -5.8852      1.00000
     97      -5.0434      1.00000
     98      -4.9364      1.00000
     99      -4.5385      1.00000
    100      -4.3412      1.00000
    101      -4.3183      1.00000
    102      -4.3174      1.00000
    103      -4.1153      1.00000
    104      -3.9115      1.00000
    105      -3.9011      1.00000
    106      -3.8300      1.00000
    107      -1.6821      0.00000
    108      -1.6672      0.00000
    109      -1.5372      0.00000
    110      -1.5356      0.00000
    111      -1.5231      0.00000
    112      -1.5093      0.00000
    113      -0.5881      0.00000
    114       0.1340      0.00000
    115       0.2070      0.00000
    116       0.3247      0.00000
    117       0.3263      0.00000
    118       0.3338      0.00000
    119       0.4945      0.00000
    120       0.5932      0.00000
    121       1.2579      0.00000
    122       1.2683      0.00000
    123       1.5218      0.00000
    124       1.7900      0.00000
    125       1.8018      0.00000
    126       1.8051      0.00000
    127       1.8097      0.00000
    128       1.9456      0.00000
    129       1.9772      0.00000
    130       2.0319      0.00000
    131       2.0456      0.00000
    132       2.0507      0.00000
    133       2.0550      0.00000
    134       2.0577      0.00000
    135       2.3027      0.00000
    136       2.3226      0.00000
    137       2.6081      0.00000
    138       2.6154      0.00000
    139       2.6433      0.00000
    140       2.7146      0.00000
    141       2.8590      0.00000
    142       3.0221      0.00000
    143       3.0504      0.00000
    144       3.0830      0.00000
    145       3.0904      0.00000
    146       3.0912      0.00000
    147       3.0918      0.00000
    148       3.2261      0.00000
    149       3.4424      0.00000
    150       3.5355      0.00000
    151       3.7860      0.00000
    152       3.9424      0.00000
    153       3.9424      0.00000
    154       3.9474      0.00000
    155       3.9539      0.00000
    156       3.9955      0.00000
    157       4.1746      0.00000
    158       4.2613      0.00000
    159       4.2852      0.00000
    160       4.2856      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3209      1.00000
      2     -21.7623      1.00000
      3     -21.5715      1.00000
      4     -21.5387      1.00000
      5     -21.2087      1.00000
      6     -21.1638      1.00000
      7     -20.9880      1.00000
      8     -20.1025      1.00000
      9     -20.0584      1.00000
     10     -19.5470      1.00000
     11     -19.5224      1.00000
     12     -19.3499      1.00000
     13     -19.0254      1.00000
     14     -18.9902      1.00000
     15     -18.9823      1.00000
     16     -18.9699      1.00000
     17     -18.2980      1.00000
     18     -18.2787      1.00000
     19     -17.9527      1.00000
     20     -17.0102      1.00000
     21     -16.9603      1.00000
     22     -16.8793      1.00000
     23     -16.8691      1.00000
     24     -16.4052      1.00000
     25     -16.3904      1.00000
     26     -15.5524      1.00000
     27     -15.5365      1.00000
     28     -15.1982      1.00000
     29     -15.1698      1.00000
     30     -15.1154      1.00000
     31     -15.0282      1.00000
     32     -15.0036      1.00000
     33     -14.6367      1.00000
     34     -14.6250      1.00000
     35     -13.6677      1.00000
     36     -13.6525      1.00000
     37     -13.1702      1.00000
     38     -12.5512      1.00000
     39     -12.5182      1.00000
     40     -12.3917      1.00000
     41     -12.3787      1.00000
     42     -12.0574      1.00000
     43     -12.0348      1.00000
     44     -11.6595      1.00000
     45     -11.6175      1.00000
     46     -11.1805      1.00000
     47     -11.1570      1.00000
     48     -10.9651      1.00000
     49     -10.9414      1.00000
     50     -10.8738      1.00000
     51     -10.8377      1.00000
     52     -10.6026      1.00000
     53     -10.0935      1.00000
     54     -10.0892      1.00000
     55     -10.0461      1.00000
     56      -9.9707      1.00000
     57      -9.6545      1.00000
     58      -9.6298      1.00000
     59      -9.5926      1.00000
     60      -9.5299      1.00000
     61      -9.5110      1.00000
     62      -9.4798      1.00000
     63      -9.2642      1.00000
     64      -9.2417      1.00000
     65      -9.2215      1.00000
     66      -9.1666      1.00000
     67      -9.0691      1.00000
     68      -9.0476      1.00000
     69      -9.0412      1.00000
     70      -8.8832      1.00000
     71      -8.8064      1.00000
     72      -8.5762      1.00000
     73      -8.5225      1.00000
     74      -8.4574      1.00000
     75      -8.0354      1.00000
     76      -7.8112      1.00000
     77      -7.8074      1.00000
     78      -7.7926      1.00000
     79      -7.7007      1.00000
     80      -7.6911      1.00000
     81      -7.3641      1.00000
     82      -7.2739      1.00000
     83      -7.2645      1.00000
     84      -7.2162      1.00000
     85      -7.1734      1.00000
     86      -7.0093      1.00000
     87      -6.9474      1.00000
     88      -6.7466      1.00000
     89      -6.6727      1.00000
     90      -6.5949      1.00000
     91      -6.5599      1.00000
     92      -6.0505      1.00000
     93      -6.0470      1.00000
     94      -6.0218      1.00000
     95      -5.9592      1.00000
     96      -5.7371      1.00000
     97      -5.1532      1.00000
     98      -4.9891      1.00000
     99      -4.7188      1.00000
    100      -4.6112      1.00000
    101      -4.4391      1.00000
    102      -4.3732      1.00000
    103      -4.1214      1.00000
    104      -3.8675      1.00000
    105      -3.8303      1.00000
    106      -3.7904      1.00000
    107      -1.7849      0.00000
    108      -1.7390      0.00000
    109      -1.3952      0.00000
    110      -1.3461      0.00000
    111      -1.2647      0.00000
    112      -1.2262      0.00000
    113      -0.7463      0.00000
    114      -0.3802      0.00000
    115      -0.2201      0.00000
    116      -0.0199      0.00000
    117       0.5879      0.00000
    118       0.7363      0.00000
    119       0.7646      0.00000
    120       1.0499      0.00000
    121       1.1415      0.00000
    122       1.2497      0.00000
    123       1.2680      0.00000
    124       1.4111      0.00000
    125       1.4771      0.00000
    126       1.5808      0.00000
    127       1.7534      0.00000
    128       1.8386      0.00000
    129       1.8956      0.00000
    130       1.9577      0.00000
    131       2.1014      0.00000
    132       2.2314      0.00000
    133       2.2472      0.00000
    134       2.2924      0.00000
    135       2.4873      0.00000
    136       2.6081      0.00000
    137       2.6319      0.00000
    138       2.7645      0.00000
    139       2.7902      0.00000
    140       2.8538      0.00000
    141       2.8639      0.00000
    142       2.8916      0.00000
    143       2.9536      0.00000
    144       3.0780      0.00000
    145       3.2778      0.00000
    146       3.2991      0.00000
    147       3.3705      0.00000
    148       3.4021      0.00000
    149       3.4626      0.00000
    150       3.5806      0.00000
    151       3.6309      0.00000
    152       3.6670      0.00000
    153       3.7047      0.00000
    154       3.9016      0.00000
    155       3.9360      0.00000
    156       3.9787      0.00000
    157       4.0781      0.00000
    158       4.1978      0.00000
    159       4.2406      0.00000
    160       4.2928      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2152      1.00000
      2     -22.0089      1.00000
      3     -21.6502      1.00000
      4     -21.6131      1.00000
      5     -20.9139      1.00000
      6     -20.8675      1.00000
      7     -20.5466      1.00000
      8     -20.5072      1.00000
      9     -20.4968      1.00000
     10     -19.9644      1.00000
     11     -19.4431      1.00000
     12     -19.4162      1.00000
     13     -19.2423      1.00000
     14     -19.2280      1.00000
     15     -18.3849      1.00000
     16     -18.3407      1.00000
     17     -17.8606      1.00000
     18     -17.8396      1.00000
     19     -17.6987      1.00000
     20     -17.6560      1.00000
     21     -17.3727      1.00000
     22     -17.3566      1.00000
     23     -17.2751      1.00000
     24     -16.4017      1.00000
     25     -16.3870      1.00000
     26     -15.8974      1.00000
     27     -15.3531      1.00000
     28     -15.3379      1.00000
     29     -15.0352      1.00000
     30     -15.0215      1.00000
     31     -14.8000      1.00000
     32     -14.7755      1.00000
     33     -14.2224      1.00000
     34     -14.1905      1.00000
     35     -13.3714      1.00000
     36     -13.3378      1.00000
     37     -13.1202      1.00000
     38     -13.1029      1.00000
     39     -12.9172      1.00000
     40     -12.9037      1.00000
     41     -12.5570      1.00000
     42     -12.5392      1.00000
     43     -12.1337      1.00000
     44     -11.5222      1.00000
     45     -11.4745      1.00000
     46     -11.2540      1.00000
     47     -11.2203      1.00000
     48     -11.0799      1.00000
     49     -10.6582      1.00000
     50     -10.5890      1.00000
     51     -10.5237      1.00000
     52     -10.2586      1.00000
     53     -10.2496      1.00000
     54     -10.1231      1.00000
     55     -10.0493      1.00000
     56     -10.0413      1.00000
     57      -9.7696      1.00000
     58      -9.7060      1.00000
     59      -9.6805      1.00000
     60      -9.6309      1.00000
     61      -9.6271      1.00000
     62      -9.5888      1.00000
     63      -9.2948      1.00000
     64      -9.2858      1.00000
     65      -9.2535      1.00000
     66      -9.0861      1.00000
     67      -8.8976      1.00000
     68      -8.8839      1.00000
     69      -8.7255      1.00000
     70      -8.5885      1.00000
     71      -8.5143      1.00000
     72      -8.3314      1.00000
     73      -8.3032      1.00000
     74      -8.2649      1.00000
     75      -8.2335      1.00000
     76      -8.1953      1.00000
     77      -8.1862      1.00000
     78      -8.1711      1.00000
     79      -8.0989      1.00000
     80      -7.6890      1.00000
     81      -7.3566      1.00000
     82      -7.3105      1.00000
     83      -7.2653      1.00000
     84      -7.1872      1.00000
     85      -7.1257      1.00000
     86      -7.0774      1.00000
     87      -6.9074      1.00000
     88      -6.8831      1.00000
     89      -6.5494      1.00000
     90      -6.4928      1.00000
     91      -6.2097      1.00000
     92      -6.0697      1.00000
     93      -5.9418      1.00000
     94      -5.7144      1.00000
     95      -5.6334      1.00000
     96      -5.4529      1.00000
     97      -5.3049      1.00000
     98      -5.2347      1.00000
     99      -5.1526      1.00000
    100      -5.1519      1.00000
    101      -4.5201      1.00000
    102      -4.4695      1.00000
    103      -4.1414      1.00000
    104      -3.8335      1.00000
    105      -3.7566      1.00000
    106      -3.6801      1.00000
    107      -1.8707      0.00000
    108      -1.8244      0.00000
    109      -1.2782      0.00000
    110      -1.0360      0.00000
    111      -1.0121      0.00000
    112      -0.7130      0.00000
    113      -0.6398      0.00000
    114      -0.5883      0.00000
    115      -0.5462      0.00000
    116      -0.2049      0.00000
    117       0.2525      0.00000
    118       0.2786      0.00000
    119       0.7575      0.00000
    120       0.9426      0.00000
    121       1.1324      0.00000
    122       1.2260      0.00000
    123       1.3182      0.00000
    124       1.4091      0.00000
    125       1.5990      0.00000
    126       1.6334      0.00000
    127       1.6981      0.00000
    128       1.8210      0.00000
    129       1.9151      0.00000
    130       2.0091      0.00000
    131       2.1010      0.00000
    132       2.3222      0.00000
    133       2.3954      0.00000
    134       2.4294      0.00000
    135       2.5359      0.00000
    136       2.6326      0.00000
    137       2.7510      0.00000
    138       2.8129      0.00000
    139       2.8302      0.00000
    140       2.8850      0.00000
    141       3.0400      0.00000
    142       3.0881      0.00000
    143       3.1826      0.00000
    144       3.2344      0.00000
    145       3.3817      0.00000
    146       3.4203      0.00000
    147       3.4786      0.00000
    148       3.5714      0.00000
    149       3.5976      0.00000
    150       3.6262      0.00000
    151       3.6489      0.00000
    152       3.7392      0.00000
    153       3.7665      0.00000
    154       3.7820      0.00000
    155       3.8013      0.00000
    156       3.8903      0.00000
    157       3.9744      0.00000
    158       4.0020      0.00000
    159       4.1726      0.00000
    160       4.2327      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2490      1.00000
      2     -21.8946      1.00000
      3     -21.8240      1.00000
      4     -21.3126      1.00000
      5     -21.2823      1.00000
      6     -20.7713      1.00000
      7     -20.7055      1.00000
      8     -20.5571      1.00000
      9     -20.0095      1.00000
     10     -20.0022      1.00000
     11     -19.6486      1.00000
     12     -19.6243      1.00000
     13     -18.9301      1.00000
     14     -18.9218      1.00000
     15     -18.5711      1.00000
     16     -18.5572      1.00000
     17     -18.3946      1.00000
     18     -17.6154      1.00000
     19     -17.5593      1.00000
     20     -17.5543      1.00000
     21     -17.5127      1.00000
     22     -17.0563      1.00000
     23     -17.0386      1.00000
     24     -16.8916      1.00000
     25     -15.9298      1.00000
     26     -15.8680      1.00000
     27     -15.5171      1.00000
     28     -15.5161      1.00000
     29     -15.2289      1.00000
     30     -14.7950      1.00000
     31     -14.7676      1.00000
     32     -14.5156      1.00000
     33     -14.4717      1.00000
     34     -14.1021      1.00000
     35     -14.0910      1.00000
     36     -13.0764      1.00000
     37     -13.0336      1.00000
     38     -12.9672      1.00000
     39     -12.9552      1.00000
     40     -12.6455      1.00000
     41     -12.6392      1.00000
     42     -12.2746      1.00000
     43     -12.2433      1.00000
     44     -11.5872      1.00000
     45     -11.5607      1.00000
     46     -11.5069      1.00000
     47     -10.9041      1.00000
     48     -10.8514      1.00000
     49     -10.6204      1.00000
     50     -10.5593      1.00000
     51     -10.4856      1.00000
     52     -10.4339      1.00000
     53     -10.4243      1.00000
     54     -10.3711      1.00000
     55     -10.2943      1.00000
     56     -10.0653      1.00000
     57      -9.8341      1.00000
     58      -9.5485      1.00000
     59      -9.4890      1.00000
     60      -9.4694      1.00000
     61      -9.3466      1.00000
     62      -9.3311      1.00000
     63      -9.3108      1.00000
     64      -9.3090      1.00000
     65      -9.2149      1.00000
     66      -9.1119      1.00000
     67      -9.0808      1.00000
     68      -9.0499      1.00000
     69      -8.8469      1.00000
     70      -8.7931      1.00000
     71      -8.7742      1.00000
     72      -8.5278      1.00000
     73      -8.4754      1.00000
     74      -8.2207      1.00000
     75      -8.1100      1.00000
     76      -8.0994      1.00000
     77      -7.8074      1.00000
     78      -7.7843      1.00000
     79      -7.7816      1.00000
     80      -7.6734      1.00000
     81      -7.6316      1.00000
     82      -7.6304      1.00000
     83      -7.4017      1.00000
     84      -7.3253      1.00000
     85      -7.2007      1.00000
     86      -6.8396      1.00000
     87      -6.8292      1.00000
     88      -6.6613      1.00000
     89      -6.5391      1.00000
     90      -6.3444      1.00000
     91      -6.3076      1.00000
     92      -6.1844      1.00000
     93      -6.1474      1.00000
     94      -5.9781      1.00000
     95      -5.5725      1.00000
     96      -5.4267      1.00000
     97      -5.2594      1.00000
     98      -5.2475      1.00000
     99      -5.1494      1.00000
    100      -4.6955      1.00000
    101      -4.6652      1.00000
    102      -4.3487      1.00000
    103      -4.3134      1.00000
    104      -3.9631      1.00000
    105      -3.8264      1.00000
    106      -3.3901      1.00000
    107      -2.2202      0.00000
    108      -1.3766      0.00000
    109      -1.2873      0.00000
    110      -1.1735      0.00000
    111      -1.0783      0.00000
    112      -0.8939      0.00000
    113      -0.7683      0.00000
    114      -0.7575      0.00000
    115      -0.2212      0.00000
    116       0.1136      0.00000
    117       0.2639      0.00000
    118       0.3460      0.00000
    119       0.7316      0.00000
    120       0.9049      0.00000
    121       0.9716      0.00000
    122       1.0919      0.00000
    123       1.2032      0.00000
    124       1.5285      0.00000
    125       1.5606      0.00000
    126       1.7094      0.00000
    127       1.8375      0.00000
    128       1.8619      0.00000
    129       1.9646      0.00000
    130       1.9942      0.00000
    131       2.1558      0.00000
    132       2.2645      0.00000
    133       2.4537      0.00000
    134       2.4590      0.00000
    135       2.5034      0.00000
    136       2.6660      0.00000
    137       2.6851      0.00000
    138       2.7297      0.00000
    139       2.7416      0.00000
    140       2.8875      0.00000
    141       3.0200      0.00000
    142       3.0801      0.00000
    143       3.1922      0.00000
    144       3.2474      0.00000
    145       3.2524      0.00000
    146       3.2637      0.00000
    147       3.3552      0.00000
    148       3.4766      0.00000
    149       3.5258      0.00000
    150       3.6953      0.00000
    151       3.7473      0.00000
    152       3.7707      0.00000
    153       3.8318      0.00000
    154       3.8738      0.00000
    155       3.9400      0.00000
    156       3.9835      0.00000
    157       4.0218      0.00000
    158       4.0401      0.00000
    159       4.0501      0.00000
    160       4.0857      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1431      1.00000
      2     -22.0478      1.00000
      3     -21.8876      1.00000
      4     -21.3356      1.00000
      5     -20.9826      1.00000
      6     -20.9442      1.00000
      7     -20.4342      1.00000
      8     -20.3917      1.00000
      9     -20.2274      1.00000
     10     -20.2061      1.00000
     11     -19.8899      1.00000
     12     -19.8223      1.00000
     13     -18.8156      1.00000
     14     -18.7445      1.00000
     15     -18.2906      1.00000
     16     -18.2373      1.00000
     17     -18.0866      1.00000
     18     -18.0665      1.00000
     19     -17.7622      1.00000
     20     -17.7200      1.00000
     21     -17.1894      1.00000
     22     -17.1704      1.00000
     23     -17.1002      1.00000
     24     -17.0644      1.00000
     25     -16.0388      1.00000
     26     -15.8235      1.00000
     27     -15.8005      1.00000
     28     -15.7651      1.00000
     29     -15.1742      1.00000
     30     -14.4915      1.00000
     31     -14.4590      1.00000
     32     -14.2183      1.00000
     33     -13.8958      1.00000
     34     -13.8907      1.00000
     35     -13.7564      1.00000
     36     -13.7363      1.00000
     37     -13.5521      1.00000
     38     -13.5037      1.00000
     39     -13.3010      1.00000
     40     -12.5652      1.00000
     41     -12.1253      1.00000
     42     -12.0665      1.00000
     43     -12.0106      1.00000
     44     -11.9522      1.00000
     45     -11.6112      1.00000
     46     -11.5886      1.00000
     47     -11.0850      1.00000
     48     -11.0523      1.00000
     49     -10.7527      1.00000
     50     -10.6643      1.00000
     51     -10.5258      1.00000
     52     -10.1492      1.00000
     53     -10.1390      1.00000
     54     -10.0971      1.00000
     55      -9.9535      1.00000
     56      -9.9482      1.00000
     57      -9.9181      1.00000
     58      -9.7379      1.00000
     59      -9.7319      1.00000
     60      -9.7009      1.00000
     61      -9.6911      1.00000
     62      -9.4284      1.00000
     63      -9.3636      1.00000
     64      -9.0852      1.00000
     65      -9.0072      1.00000
     66      -8.9750      1.00000
     67      -8.8883      1.00000
     68      -8.8122      1.00000
     69      -8.6582      1.00000
     70      -8.6355      1.00000
     71      -8.5771      1.00000
     72      -8.4785      1.00000
     73      -8.4678      1.00000
     74      -8.3984      1.00000
     75      -8.3947      1.00000
     76      -8.1848      1.00000
     77      -8.1137      1.00000
     78      -7.9781      1.00000
     79      -7.9147      1.00000
     80      -7.8473      1.00000
     81      -7.6174      1.00000
     82      -7.5307      1.00000
     83      -7.4692      1.00000
     84      -7.2574      1.00000
     85      -6.9346      1.00000
     86      -6.8581      1.00000
     87      -6.8115      1.00000
     88      -6.5737      1.00000
     89      -6.4670      1.00000
     90      -6.4205      1.00000
     91      -6.3573      1.00000
     92      -6.0518      1.00000
     93      -5.8777      1.00000
     94      -5.7534      1.00000
     95      -5.7222      1.00000
     96      -5.4767      1.00000
     97      -5.3461      1.00000
     98      -5.1806      1.00000
     99      -5.1567      1.00000
    100      -5.1550      1.00000
    101      -4.7069      1.00000
    102      -4.4399      1.00000
    103      -4.2535      1.00000
    104      -3.9943      1.00000
    105      -3.8252      1.00000
    106      -3.1566      1.00000
    107      -2.4633      0.00000
    108      -1.3796      0.00000
    109      -1.2410      0.00000
    110      -1.1465      0.00000
    111      -1.1148      0.00000
    112      -0.5649      0.00000
    113      -0.4347      0.00000
    114      -0.4302      0.00000
    115      -0.3101      0.00000
    116      -0.1907      0.00000
    117       0.0618      0.00000
    118       0.1162      0.00000
    119       0.5404      0.00000
    120       0.6838      0.00000
    121       0.8688      0.00000
    122       0.9645      0.00000
    123       1.1076      0.00000
    124       1.4926      0.00000
    125       1.6585      0.00000
    126       1.7989      0.00000
    127       1.8709      0.00000
    128       2.0898      0.00000
    129       2.1339      0.00000
    130       2.1917      0.00000
    131       2.2133      0.00000
    132       2.3400      0.00000
    133       2.3571      0.00000
    134       2.4845      0.00000
    135       2.5758      0.00000
    136       2.6665      0.00000
    137       2.8784      0.00000
    138       2.9372      0.00000
    139       2.9633      0.00000
    140       2.9904      0.00000
    141       3.0358      0.00000
    142       3.1482      0.00000
    143       3.1774      0.00000
    144       3.2404      0.00000
    145       3.2879      0.00000
    146       3.3313      0.00000
    147       3.3489      0.00000
    148       3.3784      0.00000
    149       3.4042      0.00000
    150       3.4935      0.00000
    151       3.5453      0.00000
    152       3.6260      0.00000
    153       3.6892      0.00000
    154       3.7058      0.00000
    155       3.7196      0.00000
    156       3.9183      0.00000
    157       3.9335      0.00000
    158       4.0528      0.00000
    159       4.0849      0.00000
    160       4.1964      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2488      1.00000
      2     -21.8962      1.00000
      3     -21.8225      1.00000
      4     -21.3172      1.00000
      5     -21.2784      1.00000
      6     -20.7724      1.00000
      7     -20.7034      1.00000
      8     -20.5554      1.00000
      9     -20.0236      1.00000
     10     -19.9914      1.00000
     11     -19.6511      1.00000
     12     -19.6201      1.00000
     13     -18.9441      1.00000
     14     -18.9095      1.00000
     15     -18.5848      1.00000
     16     -18.5474      1.00000
     17     -18.3928      1.00000
     18     -17.6025      1.00000
     19     -17.5712      1.00000
     20     -17.5419      1.00000
     21     -17.5090      1.00000
     22     -17.0750      1.00000
     23     -17.0282      1.00000
     24     -16.9007      1.00000
     25     -15.9459      1.00000
     26     -15.8520      1.00000
     27     -15.5338      1.00000
     28     -15.5074      1.00000
     29     -15.2098      1.00000
     30     -14.8143      1.00000
     31     -14.7620      1.00000
     32     -14.5100      1.00000
     33     -14.4682      1.00000
     34     -14.0968      1.00000
     35     -14.0937      1.00000
     36     -13.1048      1.00000
     37     -13.0304      1.00000
     38     -12.9570      1.00000
     39     -12.9499      1.00000
     40     -12.6560      1.00000
     41     -12.6278      1.00000
     42     -12.2749      1.00000
     43     -12.2477      1.00000
     44     -11.5732      1.00000
     45     -11.5539      1.00000
     46     -11.5012      1.00000
     47     -10.8781      1.00000
     48     -10.8690      1.00000
     49     -10.6805      1.00000
     50     -10.5253      1.00000
     51     -10.5207      1.00000
     52     -10.4341      1.00000
     53     -10.4167      1.00000
     54     -10.3706      1.00000
     55     -10.2884      1.00000
     56     -10.0610      1.00000
     57      -9.8328      1.00000
     58      -9.5587      1.00000
     59      -9.4848      1.00000
     60      -9.4438      1.00000
     61      -9.3561      1.00000
     62      -9.3395      1.00000
     63      -9.3081      1.00000
     64      -9.3031      1.00000
     65      -9.2068      1.00000
     66      -9.0997      1.00000
     67      -9.0687      1.00000
     68      -9.0495      1.00000
     69      -8.8497      1.00000
     70      -8.7972      1.00000
     71      -8.7782      1.00000
     72      -8.5274      1.00000
     73      -8.4966      1.00000
     74      -8.2254      1.00000
     75      -8.1297      1.00000
     76      -8.0931      1.00000
     77      -7.8066      1.00000
     78      -7.7676      1.00000
     79      -7.7405      1.00000
     80      -7.7026      1.00000
     81      -7.6354      1.00000
     82      -7.6250      1.00000
     83      -7.3884      1.00000
     84      -7.3447      1.00000
     85      -7.2201      1.00000
     86      -6.8436      1.00000
     87      -6.8209      1.00000
     88      -6.6395      1.00000
     89      -6.5299      1.00000
     90      -6.3414      1.00000
     91      -6.2734      1.00000
     92      -6.1956      1.00000
     93      -6.1321      1.00000
     94      -6.0210      1.00000
     95      -5.6357      1.00000
     96      -5.5089      1.00000
     97      -5.2980      1.00000
     98      -5.1564      1.00000
     99      -5.0403      1.00000
    100      -4.7254      1.00000
    101      -4.6857      1.00000
    102      -4.3675      1.00000
    103      -4.1836      1.00000
    104      -4.0074      1.00000
    105      -3.8247      1.00000
    106      -3.4844      1.00000
    107      -2.1647      0.00000
    108      -1.3839      0.00000
    109      -1.2354      0.00000
    110      -1.1852      0.00000
    111      -1.0146      0.00000
    112      -0.9558      0.00000
    113      -0.7975      0.00000
    114      -0.7524      0.00000
    115      -0.3679      0.00000
    116       0.2456      0.00000
    117       0.2766      0.00000
    118       0.3638      0.00000
    119       0.6974      0.00000
    120       0.8684      0.00000
    121       0.9657      0.00000
    122       1.1231      0.00000
    123       1.2329      0.00000
    124       1.4532      0.00000
    125       1.5523      0.00000
    126       1.7801      0.00000
    127       1.8498      0.00000
    128       1.8809      0.00000
    129       1.9825      0.00000
    130       2.0265      0.00000
    131       2.1933      0.00000
    132       2.2083      0.00000
    133       2.3996      0.00000
    134       2.4478      0.00000
    135       2.5479      0.00000
    136       2.6579      0.00000
    137       2.6844      0.00000
    138       2.7266      0.00000
    139       2.7653      0.00000
    140       2.8483      0.00000
    141       2.9630      0.00000
    142       3.0776      0.00000
    143       3.1865      0.00000
    144       3.2346      0.00000
    145       3.2522      0.00000
    146       3.2903      0.00000
    147       3.3280      0.00000
    148       3.4761      0.00000
    149       3.5065      0.00000
    150       3.7064      0.00000
    151       3.7194      0.00000
    152       3.7705      0.00000
    153       3.8579      0.00000
    154       3.8707      0.00000
    155       3.8967      0.00000
    156       3.9950      0.00000
    157       3.9976      0.00000
    158       4.0456      0.00000
    159       4.0594      0.00000
    160       4.0848      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3208      1.00000
      2     -21.7626      1.00000
      3     -21.5688      1.00000
      4     -21.5416      1.00000
      5     -21.2061      1.00000
      6     -21.1670      1.00000
      7     -20.9866      1.00000
      8     -20.0996      1.00000
      9     -20.0606      1.00000
     10     -19.5471      1.00000
     11     -19.5272      1.00000
     12     -19.3456      1.00000
     13     -19.0288      1.00000
     14     -18.9889      1.00000
     15     -18.9785      1.00000
     16     -18.9727      1.00000
     17     -18.2967      1.00000
     18     -18.2833      1.00000
     19     -17.9469      1.00000
     20     -17.0010      1.00000
     21     -16.9601      1.00000
     22     -16.8831      1.00000
     23     -16.8703      1.00000
     24     -16.4166      1.00000
     25     -16.3940      1.00000
     26     -15.5416      1.00000
     27     -15.5384      1.00000
     28     -15.1735      1.00000
     29     -15.1719      1.00000
     30     -15.1315      1.00000
     31     -15.0368      1.00000
     32     -15.0017      1.00000
     33     -14.6340      1.00000
     34     -14.6272      1.00000
     35     -13.6633      1.00000
     36     -13.6536      1.00000
     37     -13.1713      1.00000
     38     -12.5729      1.00000
     39     -12.5137      1.00000
     40     -12.3864      1.00000
     41     -12.3857      1.00000
     42     -12.0356      1.00000
     43     -12.0317      1.00000
     44     -11.6558      1.00000
     45     -11.6154      1.00000
     46     -11.2058      1.00000
     47     -11.1576      1.00000
     48     -10.9553      1.00000
     49     -10.9428      1.00000
     50     -10.8611      1.00000
     51     -10.8289      1.00000
     52     -10.6245      1.00000
     53     -10.1460      1.00000
     54     -10.0848      1.00000
     55     -10.0253      1.00000
     56      -9.9465      1.00000
     57      -9.6314      1.00000
     58      -9.6298      1.00000
     59      -9.6037      1.00000
     60      -9.5410      1.00000
     61      -9.5035      1.00000
     62      -9.4799      1.00000
     63      -9.2724      1.00000
     64      -9.2358      1.00000
     65      -9.2079      1.00000
     66      -9.1802      1.00000
     67      -9.0632      1.00000
     68      -9.0473      1.00000
     69      -9.0437      1.00000
     70      -8.8775      1.00000
     71      -8.8093      1.00000
     72      -8.5341      1.00000
     73      -8.5334      1.00000
     74      -8.4979      1.00000
     75      -8.0311      1.00000
     76      -7.8320      1.00000
     77      -7.7996      1.00000
     78      -7.7751      1.00000
     79      -7.7033      1.00000
     80      -7.6847      1.00000
     81      -7.4145      1.00000
     82      -7.2872      1.00000
     83      -7.2519      1.00000
     84      -7.2039      1.00000
     85      -7.0818      1.00000
     86      -7.0759      1.00000
     87      -6.9387      1.00000
     88      -6.7114      1.00000
     89      -6.6747      1.00000
     90      -6.6299      1.00000
     91      -6.5579      1.00000
     92      -6.0715      1.00000
     93      -6.0316      1.00000
     94      -6.0014      1.00000
     95      -5.9383      1.00000
     96      -5.7998      1.00000
     97      -5.1795      1.00000
     98      -4.8937      1.00000
     99      -4.7939      1.00000
    100      -4.6111      1.00000
    101      -4.5122      1.00000
    102      -4.1398      1.00000
    103      -4.0906      1.00000
    104      -3.9306      1.00000
    105      -3.9157      1.00000
    106      -3.8241      1.00000
    107      -1.7522      0.00000
    108      -1.6963      0.00000
    109      -1.4109      0.00000
    110      -1.3705      0.00000
    111      -1.2647      0.00000
    112      -1.2363      0.00000
    113      -0.6258      0.00000
    114      -0.5984      0.00000
    115      -0.1898      0.00000
    116       0.0408      0.00000
    117       0.5818      0.00000
    118       0.7410      0.00000
    119       0.8493      0.00000
    120       0.9278      0.00000
    121       1.1674      0.00000
    122       1.2100      0.00000
    123       1.2446      0.00000
    124       1.4160      0.00000
    125       1.5961      0.00000
    126       1.6340      0.00000
    127       1.7026      0.00000
    128       1.8014      0.00000
    129       1.9219      0.00000
    130       1.9400      0.00000
    131       2.1428      0.00000
    132       2.1707      0.00000
    133       2.2593      0.00000
    134       2.2978      0.00000
    135       2.5393      0.00000
    136       2.5554      0.00000
    137       2.6305      0.00000
    138       2.7582      0.00000
    139       2.8024      0.00000
    140       2.8411      0.00000
    141       2.8933      0.00000
    142       2.9387      0.00000
    143       3.0096      0.00000
    144       3.0251      0.00000
    145       3.0838      0.00000
    146       3.3042      0.00000
    147       3.3640      0.00000
    148       3.4146      0.00000
    149       3.4737      0.00000
    150       3.5993      0.00000
    151       3.6550      0.00000
    152       3.6607      0.00000
    153       3.6771      0.00000
    154       3.8866      0.00000
    155       3.9721      0.00000
    156       4.0181      0.00000
    157       4.0705      0.00000
    158       4.2314      0.00000
    159       4.2541      0.00000
    160       4.2613      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1421      1.00000
      2     -22.0492      1.00000
      3     -21.8871      1.00000
      4     -21.3365      1.00000
      5     -20.9777      1.00000
      6     -20.9483      1.00000
      7     -20.4290      1.00000
      8     -20.3970      1.00000
      9     -20.2168      1.00000
     10     -20.2151      1.00000
     11     -19.8888      1.00000
     12     -19.8250      1.00000
     13     -18.8185      1.00000
     14     -18.7479      1.00000
     15     -18.2666      1.00000
     16     -18.2525      1.00000
     17     -18.0810      1.00000
     18     -18.0745      1.00000
     19     -17.7466      1.00000
     20     -17.7308      1.00000
     21     -17.1954      1.00000
     22     -17.1723      1.00000
     23     -17.0892      1.00000
     24     -17.0689      1.00000
     25     -16.0548      1.00000
     26     -15.8094      1.00000
     27     -15.7998      1.00000
     28     -15.7784      1.00000
     29     -15.1596      1.00000
     30     -14.4863      1.00000
     31     -14.4650      1.00000
     32     -14.2046      1.00000
     33     -13.9167      1.00000
     34     -13.8872      1.00000
     35     -13.7595      1.00000
     36     -13.7393      1.00000
     37     -13.5369      1.00000
     38     -13.5110      1.00000
     39     -13.3024      1.00000
     40     -12.5775      1.00000
     41     -12.1017      1.00000
     42     -12.0775      1.00000
     43     -11.9994      1.00000
     44     -11.9519      1.00000
     45     -11.6057      1.00000
     46     -11.5983      1.00000
     47     -11.0844      1.00000
     48     -11.0617      1.00000
     49     -10.7324      1.00000
     50     -10.6655      1.00000
     51     -10.5580      1.00000
     52     -10.1402      1.00000
     53     -10.1358      1.00000
     54     -10.1017      1.00000
     55      -9.9664      1.00000
     56      -9.9259      1.00000
     57      -9.9226      1.00000
     58      -9.7509      1.00000
     59      -9.7296      1.00000
     60      -9.6979      1.00000
     61      -9.6952      1.00000
     62      -9.4005      1.00000
     63      -9.3899      1.00000
     64      -9.0684      1.00000
     65      -8.9828      1.00000
     66      -8.9818      1.00000
     67      -8.9061      1.00000
     68      -8.8130      1.00000
     69      -8.6496      1.00000
     70      -8.6342      1.00000
     71      -8.5466      1.00000
     72      -8.5024      1.00000
     73      -8.4833      1.00000
     74      -8.3948      1.00000
     75      -8.3829      1.00000
     76      -8.2103      1.00000
     77      -8.1017      1.00000
     78      -8.0076      1.00000
     79      -7.9017      1.00000
     80      -7.8432      1.00000
     81      -7.6221      1.00000
     82      -7.5335      1.00000
     83      -7.4576      1.00000
     84      -7.2539      1.00000
     85      -6.9427      1.00000
     86      -6.8688      1.00000
     87      -6.8102      1.00000
     88      -6.4786      1.00000
     89      -6.4687      1.00000
     90      -6.4101      1.00000
     91      -6.3605      1.00000
     92      -6.1881      1.00000
     93      -5.8587      1.00000
     94      -5.7381      1.00000
     95      -5.7119      1.00000
     96      -5.5231      1.00000
     97      -5.3294      1.00000
     98      -5.1727      1.00000
     99      -5.1679      1.00000
    100      -5.1345      1.00000
    101      -4.6960      1.00000
    102      -4.3482      1.00000
    103      -4.2776      1.00000
    104      -4.0272      1.00000
    105      -3.8262      1.00000
    106      -3.2334      1.00000
    107      -2.4056      0.00000
    108      -1.3461      0.00000
    109      -1.2437      0.00000
    110      -1.1536      0.00000
    111      -1.1086      0.00000
    112      -0.5840      0.00000
    113      -0.5210      0.00000
    114      -0.4339      0.00000
    115      -0.2749      0.00000
    116      -0.0719      0.00000
    117      -0.0114      0.00000
    118       0.0599      0.00000
    119       0.5836      0.00000
    120       0.7103      0.00000
    121       0.8076      0.00000
    122       0.9397      0.00000
    123       1.1794      0.00000
    124       1.5063      0.00000
    125       1.6164      0.00000
    126       1.8546      0.00000
    127       2.0018      0.00000
    128       2.0483      0.00000
    129       2.1090      0.00000
    130       2.1438      0.00000
    131       2.2603      0.00000
    132       2.2848      0.00000
    133       2.3473      0.00000
    134       2.4566      0.00000
    135       2.6081      0.00000
    136       2.6983      0.00000
    137       2.8158      0.00000
    138       2.9148      0.00000
    139       2.9422      0.00000
    140       3.0095      0.00000
    141       3.0439      0.00000
    142       3.1549      0.00000
    143       3.1596      0.00000
    144       3.2215      0.00000
    145       3.2978      0.00000
    146       3.3078      0.00000
    147       3.3520      0.00000
    148       3.3715      0.00000
    149       3.4141      0.00000
    150       3.4382      0.00000
    151       3.5554      0.00000
    152       3.6060      0.00000
    153       3.6970      0.00000
    154       3.7191      0.00000
    155       3.8440      0.00000
    156       3.9006      0.00000
    157       3.9298      0.00000
    158       3.9573      0.00000
    159       4.1436      0.00000
    160       4.1786      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2148      1.00000
      2     -22.0096      1.00000
      3     -21.6475      1.00000
      4     -21.6162      1.00000
      5     -20.9111      1.00000
      6     -20.8702      1.00000
      7     -20.5404      1.00000
      8     -20.5077      1.00000
      9     -20.5009      1.00000
     10     -19.9634      1.00000
     11     -19.4419      1.00000
     12     -19.4201      1.00000
     13     -19.2411      1.00000
     14     -19.2339      1.00000
     15     -18.3771      1.00000
     16     -18.3419      1.00000
     17     -17.8597      1.00000
     18     -17.8437      1.00000
     19     -17.6922      1.00000
     20     -17.6561      1.00000
     21     -17.3731      1.00000
     22     -17.3589      1.00000
     23     -17.2678      1.00000
     24     -16.4142      1.00000
     25     -16.3909      1.00000
     26     -15.9057      1.00000
     27     -15.3445      1.00000
     28     -15.3397      1.00000
     29     -15.0320      1.00000
     30     -15.0224      1.00000
     31     -14.7769      1.00000
     32     -14.7747      1.00000
     33     -14.2380      1.00000
     34     -14.1877      1.00000
     35     -13.3879      1.00000
     36     -13.3340      1.00000
     37     -13.1117      1.00000
     38     -13.1038      1.00000
     39     -12.9188      1.00000
     40     -12.9133      1.00000
     41     -12.5459      1.00000
     42     -12.5383      1.00000
     43     -12.1338      1.00000
     44     -11.5147      1.00000
     45     -11.4702      1.00000
     46     -11.2456      1.00000
     47     -11.2141      1.00000
     48     -11.0864      1.00000
     49     -10.7038      1.00000
     50     -10.5962      1.00000
     51     -10.5097      1.00000
     52     -10.2521      1.00000
     53     -10.2481      1.00000
     54     -10.1222      1.00000
     55     -10.0547      1.00000
     56     -10.0397      1.00000
     57      -9.7846      1.00000
     58      -9.6877      1.00000
     59      -9.6746      1.00000
     60      -9.6381      1.00000
     61      -9.6285      1.00000
     62      -9.5869      1.00000
     63      -9.2959      1.00000
     64      -9.2841      1.00000
     65      -9.2538      1.00000
     66      -9.0635      1.00000
     67      -8.8953      1.00000
     68      -8.8844      1.00000
     69      -8.7194      1.00000
     70      -8.5805      1.00000
     71      -8.5268      1.00000
     72      -8.3512      1.00000
     73      -8.3053      1.00000
     74      -8.2442      1.00000
     75      -8.2385      1.00000
     76      -8.1950      1.00000
     77      -8.1819      1.00000
     78      -8.1702      1.00000
     79      -8.1056      1.00000
     80      -7.6900      1.00000
     81      -7.4190      1.00000
     82      -7.3431      1.00000
     83      -7.2593      1.00000
     84      -7.1689      1.00000
     85      -7.1111      1.00000
     86      -7.0050      1.00000
     87      -6.9047      1.00000
     88      -6.8485      1.00000
     89      -6.5424      1.00000
     90      -6.4986      1.00000
     91      -6.2105      1.00000
     92      -6.2020      1.00000
     93      -5.8952      1.00000
     94      -5.6738      1.00000
     95      -5.6073      1.00000
     96      -5.5811      1.00000
     97      -5.2538      1.00000
     98      -5.2317      1.00000
     99      -5.1653      1.00000
    100      -5.1351      1.00000
    101      -4.5989      1.00000
    102      -4.2478      1.00000
    103      -4.0438      1.00000
    104      -3.8850      1.00000
    105      -3.8390      1.00000
    106      -3.8002      1.00000
    107      -1.8082      0.00000
    108      -1.7810      0.00000
    109      -1.2263      0.00000
    110      -1.1752      0.00000
    111      -0.9740      0.00000
    112      -0.7349      0.00000
    113      -0.6496      0.00000
    114      -0.5939      0.00000
    115      -0.5499      0.00000
    116      -0.1552      0.00000
    117       0.1768      0.00000
    118       0.2878      0.00000
    119       0.7033      0.00000
    120       0.9456      0.00000
    121       1.1692      0.00000
    122       1.2777      0.00000
    123       1.3413      0.00000
    124       1.5085      0.00000
    125       1.6064      0.00000
    126       1.6265      0.00000
    127       1.6911      0.00000
    128       1.7718      0.00000
    129       1.8572      0.00000
    130       2.0725      0.00000
    131       2.1590      0.00000
    132       2.3161      0.00000
    133       2.3897      0.00000
    134       2.4217      0.00000
    135       2.5509      0.00000
    136       2.6222      0.00000
    137       2.6860      0.00000
    138       2.7408      0.00000
    139       2.8074      0.00000
    140       2.9054      0.00000
    141       3.0484      0.00000
    142       3.0595      0.00000
    143       3.1780      0.00000
    144       3.2778      0.00000
    145       3.3761      0.00000
    146       3.4089      0.00000
    147       3.4566      0.00000
    148       3.5453      0.00000
    149       3.5702      0.00000
    150       3.6318      0.00000
    151       3.6609      0.00000
    152       3.7013      0.00000
    153       3.7801      0.00000
    154       3.7909      0.00000
    155       3.8200      0.00000
    156       3.8891      0.00000
    157       3.9028      0.00000
    158       3.9717      0.00000
    159       4.1866      0.00000
    160       4.2261      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3575      1.00000
      2     -21.5377      1.00000
      3     -21.4080      1.00000
      4     -21.4070      1.00000
      5     -21.3757      1.00000
      6     -21.3666      1.00000
      7     -21.3594      1.00000
      8     -19.6468      1.00000
      9     -19.5731      1.00000
     10     -19.5661      1.00000
     11     -19.5593      1.00000
     12     -19.5410      1.00000
     13     -19.5383      1.00000
     14     -18.7287      1.00000
     15     -18.6804      1.00000
     16     -18.6729      1.00000
     17     -18.6595      1.00000
     18     -18.6439      1.00000
     19     -18.6422      1.00000
     20     -16.5862      1.00000
     21     -16.5270      1.00000
     22     -16.5245      1.00000
     23     -16.5117      1.00000
     24     -16.4872      1.00000
     25     -16.4856      1.00000
     26     -15.5590      1.00000
     27     -15.5270      1.00000
     28     -15.5263      1.00000
     29     -15.5006      1.00000
     30     -15.4955      1.00000
     31     -15.4897      1.00000
     32     -14.2065      1.00000
     33     -14.1809      1.00000
     34     -14.1681      1.00000
     35     -14.1658      1.00000
     36     -14.1603      1.00000
     37     -14.1492      1.00000
     38     -11.8829      1.00000
     39     -11.8081      1.00000
     40     -11.7927      1.00000
     41     -11.7923      1.00000
     42     -11.7891      1.00000
     43     -11.7833      1.00000
     44     -11.7054      1.00000
     45     -11.6986      1.00000
     46     -11.6732      1.00000
     47     -11.6586      1.00000
     48     -11.6582      1.00000
     49     -11.6511      1.00000
     50     -10.6728      1.00000
     51     -10.3295      1.00000
     52     -10.3215      1.00000
     53     -10.3061      1.00000
     54     -10.3046      1.00000
     55     -10.2915      1.00000
     56     -10.2786      1.00000
     57      -9.9261      1.00000
     58      -9.3734      1.00000
     59      -9.3600      1.00000
     60      -9.3009      1.00000
     61      -9.2927      1.00000
     62      -9.2860      1.00000
     63      -9.0922      1.00000
     64      -9.0549      1.00000
     65      -9.0498      1.00000
     66      -9.0271      1.00000
     67      -9.0070      1.00000
     68      -9.0022      1.00000
     69      -9.0008      1.00000
     70      -8.9959      1.00000
     71      -8.9920      1.00000
     72      -8.9726      1.00000
     73      -8.9653      1.00000
     74      -8.9542      1.00000
     75      -8.4926      1.00000
     76      -7.5143      1.00000
     77      -7.4103      1.00000
     78      -7.4100      1.00000
     79      -7.3997      1.00000
     80      -7.3840      1.00000
     81      -7.3641      1.00000
     82      -7.3418      1.00000
     83      -7.3108      1.00000
     84      -7.2689      1.00000
     85      -7.2073      1.00000
     86      -7.1807      1.00000
     87      -7.1804      1.00000
     88      -7.0758      1.00000
     89      -6.5081      1.00000
     90      -6.4615      1.00000
     91      -6.3558      1.00000
     92      -6.2942      1.00000
     93      -6.2883      1.00000
     94      -6.2871      1.00000
     95      -5.8970      1.00000
     96      -5.8852      1.00000
     97      -5.0434      1.00000
     98      -4.9364      1.00000
     99      -4.5385      1.00000
    100      -4.3412      1.00000
    101      -4.3183      1.00000
    102      -4.3174      1.00000
    103      -4.1153      1.00000
    104      -3.9115      1.00000
    105      -3.9011      1.00000
    106      -3.8300      1.00000
    107      -1.6821      0.00000
    108      -1.6672      0.00000
    109      -1.5372      0.00000
    110      -1.5356      0.00000
    111      -1.5231      0.00000
    112      -1.5093      0.00000
    113      -0.5881      0.00000
    114       0.1340      0.00000
    115       0.2070      0.00000
    116       0.3247      0.00000
    117       0.3263      0.00000
    118       0.3338      0.00000
    119       0.4945      0.00000
    120       0.5932      0.00000
    121       1.2579      0.00000
    122       1.2683      0.00000
    123       1.5218      0.00000
    124       1.7900      0.00000
    125       1.8018      0.00000
    126       1.8051      0.00000
    127       1.8097      0.00000
    128       1.9456      0.00000
    129       1.9772      0.00000
    130       2.0319      0.00000
    131       2.0456      0.00000
    132       2.0507      0.00000
    133       2.0550      0.00000
    134       2.0577      0.00000
    135       2.3027      0.00000
    136       2.3226      0.00000
    137       2.6081      0.00000
    138       2.6154      0.00000
    139       2.6433      0.00000
    140       2.7146      0.00000
    141       2.8590      0.00000
    142       3.0221      0.00000
    143       3.0504      0.00000
    144       3.0830      0.00000
    145       3.0904      0.00000
    146       3.0912      0.00000
    147       3.0918      0.00000
    148       3.2261      0.00000
    149       3.4424      0.00000
    150       3.5355      0.00000
    151       3.7860      0.00000
    152       3.9424      0.00000
    153       3.9424      0.00000
    154       3.9475      0.00000
    155       3.9539      0.00000
    156       3.9955      0.00000
    157       4.1746      0.00000
    158       4.2613      0.00000
    159       4.2852      0.00000
    160       4.2856      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3209      1.00000
      2     -21.7623      1.00000
      3     -21.5715      1.00000
      4     -21.5387      1.00000
      5     -21.2087      1.00000
      6     -21.1638      1.00000
      7     -20.9880      1.00000
      8     -20.1025      1.00000
      9     -20.0584      1.00000
     10     -19.5470      1.00000
     11     -19.5224      1.00000
     12     -19.3499      1.00000
     13     -19.0254      1.00000
     14     -18.9902      1.00000
     15     -18.9823      1.00000
     16     -18.9699      1.00000
     17     -18.2980      1.00000
     18     -18.2787      1.00000
     19     -17.9527      1.00000
     20     -17.0102      1.00000
     21     -16.9603      1.00000
     22     -16.8793      1.00000
     23     -16.8691      1.00000
     24     -16.4052      1.00000
     25     -16.3904      1.00000
     26     -15.5524      1.00000
     27     -15.5365      1.00000
     28     -15.1982      1.00000
     29     -15.1698      1.00000
     30     -15.1154      1.00000
     31     -15.0282      1.00000
     32     -15.0036      1.00000
     33     -14.6367      1.00000
     34     -14.6250      1.00000
     35     -13.6677      1.00000
     36     -13.6525      1.00000
     37     -13.1702      1.00000
     38     -12.5512      1.00000
     39     -12.5182      1.00000
     40     -12.3917      1.00000
     41     -12.3787      1.00000
     42     -12.0574      1.00000
     43     -12.0348      1.00000
     44     -11.6595      1.00000
     45     -11.6175      1.00000
     46     -11.1805      1.00000
     47     -11.1570      1.00000
     48     -10.9651      1.00000
     49     -10.9414      1.00000
     50     -10.8738      1.00000
     51     -10.8377      1.00000
     52     -10.6026      1.00000
     53     -10.0935      1.00000
     54     -10.0892      1.00000
     55     -10.0461      1.00000
     56      -9.9707      1.00000
     57      -9.6545      1.00000
     58      -9.6298      1.00000
     59      -9.5926      1.00000
     60      -9.5299      1.00000
     61      -9.5110      1.00000
     62      -9.4798      1.00000
     63      -9.2642      1.00000
     64      -9.2417      1.00000
     65      -9.2215      1.00000
     66      -9.1666      1.00000
     67      -9.0691      1.00000
     68      -9.0476      1.00000
     69      -9.0412      1.00000
     70      -8.8832      1.00000
     71      -8.8064      1.00000
     72      -8.5762      1.00000
     73      -8.5225      1.00000
     74      -8.4574      1.00000
     75      -8.0354      1.00000
     76      -7.8112      1.00000
     77      -7.8074      1.00000
     78      -7.7926      1.00000
     79      -7.7007      1.00000
     80      -7.6911      1.00000
     81      -7.3641      1.00000
     82      -7.2739      1.00000
     83      -7.2645      1.00000
     84      -7.2162      1.00000
     85      -7.1734      1.00000
     86      -7.0093      1.00000
     87      -6.9474      1.00000
     88      -6.7466      1.00000
     89      -6.6727      1.00000
     90      -6.5949      1.00000
     91      -6.5599      1.00000
     92      -6.0505      1.00000
     93      -6.0470      1.00000
     94      -6.0218      1.00000
     95      -5.9592      1.00000
     96      -5.7371      1.00000
     97      -5.1532      1.00000
     98      -4.9891      1.00000
     99      -4.7188      1.00000
    100      -4.6112      1.00000
    101      -4.4391      1.00000
    102      -4.3732      1.00000
    103      -4.1214      1.00000
    104      -3.8675      1.00000
    105      -3.8303      1.00000
    106      -3.7904      1.00000
    107      -1.7849      0.00000
    108      -1.7390      0.00000
    109      -1.3952      0.00000
    110      -1.3461      0.00000
    111      -1.2647      0.00000
    112      -1.2262      0.00000
    113      -0.7463      0.00000
    114      -0.3802      0.00000
    115      -0.2201      0.00000
    116      -0.0199      0.00000
    117       0.5879      0.00000
    118       0.7363      0.00000
    119       0.7646      0.00000
    120       1.0499      0.00000
    121       1.1415      0.00000
    122       1.2497      0.00000
    123       1.2680      0.00000
    124       1.4111      0.00000
    125       1.4771      0.00000
    126       1.5808      0.00000
    127       1.7534      0.00000
    128       1.8386      0.00000
    129       1.8956      0.00000
    130       1.9577      0.00000
    131       2.1014      0.00000
    132       2.2314      0.00000
    133       2.2472      0.00000
    134       2.2924      0.00000
    135       2.4873      0.00000
    136       2.6081      0.00000
    137       2.6319      0.00000
    138       2.7645      0.00000
    139       2.7902      0.00000
    140       2.8538      0.00000
    141       2.8639      0.00000
    142       2.8916      0.00000
    143       2.9536      0.00000
    144       3.0780      0.00000
    145       3.2778      0.00000
    146       3.2991      0.00000
    147       3.3705      0.00000
    148       3.4021      0.00000
    149       3.4626      0.00000
    150       3.5806      0.00000
    151       3.6309      0.00000
    152       3.6670      0.00000
    153       3.7047      0.00000
    154       3.9016      0.00000
    155       3.9360      0.00000
    156       3.9787      0.00000
    157       4.0781      0.00000
    158       4.1978      0.00000
    159       4.2406      0.00000
    160       4.2928      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2152      1.00000
      2     -22.0089      1.00000
      3     -21.6502      1.00000
      4     -21.6131      1.00000
      5     -20.9139      1.00000
      6     -20.8675      1.00000
      7     -20.5466      1.00000
      8     -20.5072      1.00000
      9     -20.4968      1.00000
     10     -19.9644      1.00000
     11     -19.4431      1.00000
     12     -19.4162      1.00000
     13     -19.2423      1.00000
     14     -19.2280      1.00000
     15     -18.3849      1.00000
     16     -18.3407      1.00000
     17     -17.8606      1.00000
     18     -17.8396      1.00000
     19     -17.6987      1.00000
     20     -17.6560      1.00000
     21     -17.3727      1.00000
     22     -17.3566      1.00000
     23     -17.2751      1.00000
     24     -16.4017      1.00000
     25     -16.3870      1.00000
     26     -15.8974      1.00000
     27     -15.3531      1.00000
     28     -15.3379      1.00000
     29     -15.0352      1.00000
     30     -15.0215      1.00000
     31     -14.8000      1.00000
     32     -14.7755      1.00000
     33     -14.2224      1.00000
     34     -14.1905      1.00000
     35     -13.3714      1.00000
     36     -13.3378      1.00000
     37     -13.1202      1.00000
     38     -13.1029      1.00000
     39     -12.9172      1.00000
     40     -12.9037      1.00000
     41     -12.5570      1.00000
     42     -12.5392      1.00000
     43     -12.1337      1.00000
     44     -11.5222      1.00000
     45     -11.4745      1.00000
     46     -11.2540      1.00000
     47     -11.2203      1.00000
     48     -11.0799      1.00000
     49     -10.6582      1.00000
     50     -10.5890      1.00000
     51     -10.5237      1.00000
     52     -10.2586      1.00000
     53     -10.2496      1.00000
     54     -10.1231      1.00000
     55     -10.0493      1.00000
     56     -10.0413      1.00000
     57      -9.7696      1.00000
     58      -9.7060      1.00000
     59      -9.6805      1.00000
     60      -9.6309      1.00000
     61      -9.6271      1.00000
     62      -9.5888      1.00000
     63      -9.2948      1.00000
     64      -9.2858      1.00000
     65      -9.2535      1.00000
     66      -9.0861      1.00000
     67      -8.8976      1.00000
     68      -8.8839      1.00000
     69      -8.7255      1.00000
     70      -8.5885      1.00000
     71      -8.5143      1.00000
     72      -8.3314      1.00000
     73      -8.3032      1.00000
     74      -8.2649      1.00000
     75      -8.2335      1.00000
     76      -8.1953      1.00000
     77      -8.1862      1.00000
     78      -8.1711      1.00000
     79      -8.0989      1.00000
     80      -7.6890      1.00000
     81      -7.3566      1.00000
     82      -7.3105      1.00000
     83      -7.2653      1.00000
     84      -7.1872      1.00000
     85      -7.1257      1.00000
     86      -7.0774      1.00000
     87      -6.9074      1.00000
     88      -6.8831      1.00000
     89      -6.5494      1.00000
     90      -6.4928      1.00000
     91      -6.2097      1.00000
     92      -6.0697      1.00000
     93      -5.9418      1.00000
     94      -5.7144      1.00000
     95      -5.6334      1.00000
     96      -5.4529      1.00000
     97      -5.3049      1.00000
     98      -5.2347      1.00000
     99      -5.1526      1.00000
    100      -5.1519      1.00000
    101      -4.5201      1.00000
    102      -4.4695      1.00000
    103      -4.1414      1.00000
    104      -3.8335      1.00000
    105      -3.7566      1.00000
    106      -3.6801      1.00000
    107      -1.8707      0.00000
    108      -1.8244      0.00000
    109      -1.2782      0.00000
    110      -1.0360      0.00000
    111      -1.0121      0.00000
    112      -0.7130      0.00000
    113      -0.6398      0.00000
    114      -0.5883      0.00000
    115      -0.5462      0.00000
    116      -0.2049      0.00000
    117       0.2525      0.00000
    118       0.2786      0.00000
    119       0.7575      0.00000
    120       0.9426      0.00000
    121       1.1324      0.00000
    122       1.2260      0.00000
    123       1.3182      0.00000
    124       1.4091      0.00000
    125       1.5990      0.00000
    126       1.6334      0.00000
    127       1.6981      0.00000
    128       1.8210      0.00000
    129       1.9152      0.00000
    130       2.0091      0.00000
    131       2.1010      0.00000
    132       2.3222      0.00000
    133       2.3954      0.00000
    134       2.4294      0.00000
    135       2.5359      0.00000
    136       2.6326      0.00000
    137       2.7510      0.00000
    138       2.8129      0.00000
    139       2.8302      0.00000
    140       2.8850      0.00000
    141       3.0400      0.00000
    142       3.0881      0.00000
    143       3.1826      0.00000
    144       3.2344      0.00000
    145       3.3817      0.00000
    146       3.4203      0.00000
    147       3.4786      0.00000
    148       3.5714      0.00000
    149       3.5976      0.00000
    150       3.6262      0.00000
    151       3.6489      0.00000
    152       3.7392      0.00000
    153       3.7665      0.00000
    154       3.7820      0.00000
    155       3.8013      0.00000
    156       3.8903      0.00000
    157       3.9744      0.00000
    158       4.0020      0.00000
    159       4.1726      0.00000
    160       4.2328      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2490      1.00000
      2     -21.8946      1.00000
      3     -21.8240      1.00000
      4     -21.3126      1.00000
      5     -21.2823      1.00000
      6     -20.7713      1.00000
      7     -20.7055      1.00000
      8     -20.5571      1.00000
      9     -20.0095      1.00000
     10     -20.0022      1.00000
     11     -19.6486      1.00000
     12     -19.6243      1.00000
     13     -18.9301      1.00000
     14     -18.9218      1.00000
     15     -18.5711      1.00000
     16     -18.5572      1.00000
     17     -18.3946      1.00000
     18     -17.6154      1.00000
     19     -17.5593      1.00000
     20     -17.5543      1.00000
     21     -17.5127      1.00000
     22     -17.0563      1.00000
     23     -17.0386      1.00000
     24     -16.8916      1.00000
     25     -15.9298      1.00000
     26     -15.8680      1.00000
     27     -15.5171      1.00000
     28     -15.5161      1.00000
     29     -15.2289      1.00000
     30     -14.7950      1.00000
     31     -14.7676      1.00000
     32     -14.5156      1.00000
     33     -14.4717      1.00000
     34     -14.1021      1.00000
     35     -14.0910      1.00000
     36     -13.0764      1.00000
     37     -13.0336      1.00000
     38     -12.9672      1.00000
     39     -12.9552      1.00000
     40     -12.6455      1.00000
     41     -12.6392      1.00000
     42     -12.2746      1.00000
     43     -12.2433      1.00000
     44     -11.5872      1.00000
     45     -11.5607      1.00000
     46     -11.5069      1.00000
     47     -10.9041      1.00000
     48     -10.8514      1.00000
     49     -10.6204      1.00000
     50     -10.5593      1.00000
     51     -10.4856      1.00000
     52     -10.4339      1.00000
     53     -10.4243      1.00000
     54     -10.3711      1.00000
     55     -10.2943      1.00000
     56     -10.0653      1.00000
     57      -9.8341      1.00000
     58      -9.5485      1.00000
     59      -9.4890      1.00000
     60      -9.4694      1.00000
     61      -9.3466      1.00000
     62      -9.3311      1.00000
     63      -9.3108      1.00000
     64      -9.3090      1.00000
     65      -9.2149      1.00000
     66      -9.1119      1.00000
     67      -9.0808      1.00000
     68      -9.0499      1.00000
     69      -8.8469      1.00000
     70      -8.7931      1.00000
     71      -8.7742      1.00000
     72      -8.5278      1.00000
     73      -8.4754      1.00000
     74      -8.2207      1.00000
     75      -8.1100      1.00000
     76      -8.0994      1.00000
     77      -7.8074      1.00000
     78      -7.7843      1.00000
     79      -7.7816      1.00000
     80      -7.6734      1.00000
     81      -7.6316      1.00000
     82      -7.6304      1.00000
     83      -7.4017      1.00000
     84      -7.3253      1.00000
     85      -7.2007      1.00000
     86      -6.8396      1.00000
     87      -6.8292      1.00000
     88      -6.6613      1.00000
     89      -6.5391      1.00000
     90      -6.3444      1.00000
     91      -6.3076      1.00000
     92      -6.1844      1.00000
     93      -6.1474      1.00000
     94      -5.9781      1.00000
     95      -5.5725      1.00000
     96      -5.4267      1.00000
     97      -5.2594      1.00000
     98      -5.2475      1.00000
     99      -5.1494      1.00000
    100      -4.6955      1.00000
    101      -4.6652      1.00000
    102      -4.3487      1.00000
    103      -4.3134      1.00000
    104      -3.9631      1.00000
    105      -3.8264      1.00000
    106      -3.3901      1.00000
    107      -2.2202      0.00000
    108      -1.3766      0.00000
    109      -1.2873      0.00000
    110      -1.1735      0.00000
    111      -1.0783      0.00000
    112      -0.8939      0.00000
    113      -0.7683      0.00000
    114      -0.7575      0.00000
    115      -0.2212      0.00000
    116       0.1136      0.00000
    117       0.2639      0.00000
    118       0.3460      0.00000
    119       0.7316      0.00000
    120       0.9049      0.00000
    121       0.9716      0.00000
    122       1.0919      0.00000
    123       1.2032      0.00000
    124       1.5285      0.00000
    125       1.5606      0.00000
    126       1.7094      0.00000
    127       1.8375      0.00000
    128       1.8619      0.00000
    129       1.9646      0.00000
    130       1.9942      0.00000
    131       2.1558      0.00000
    132       2.2645      0.00000
    133       2.4537      0.00000
    134       2.4590      0.00000
    135       2.5034      0.00000
    136       2.6660      0.00000
    137       2.6851      0.00000
    138       2.7297      0.00000
    139       2.7416      0.00000
    140       2.8875      0.00000
    141       3.0200      0.00000
    142       3.0801      0.00000
    143       3.1922      0.00000
    144       3.2474      0.00000
    145       3.2524      0.00000
    146       3.2637      0.00000
    147       3.3552      0.00000
    148       3.4766      0.00000
    149       3.5258      0.00000
    150       3.6953      0.00000
    151       3.7473      0.00000
    152       3.7707      0.00000
    153       3.8318      0.00000
    154       3.8738      0.00000
    155       3.9400      0.00000
    156       3.9835      0.00000
    157       4.0218      0.00000
    158       4.0401      0.00000
    159       4.0501      0.00000
    160       4.0857      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1431      1.00000
      2     -22.0478      1.00000
      3     -21.8876      1.00000
      4     -21.3356      1.00000
      5     -20.9826      1.00000
      6     -20.9442      1.00000
      7     -20.4342      1.00000
      8     -20.3917      1.00000
      9     -20.2274      1.00000
     10     -20.2061      1.00000
     11     -19.8899      1.00000
     12     -19.8223      1.00000
     13     -18.8156      1.00000
     14     -18.7445      1.00000
     15     -18.2906      1.00000
     16     -18.2373      1.00000
     17     -18.0866      1.00000
     18     -18.0665      1.00000
     19     -17.7622      1.00000
     20     -17.7200      1.00000
     21     -17.1894      1.00000
     22     -17.1704      1.00000
     23     -17.1002      1.00000
     24     -17.0644      1.00000
     25     -16.0388      1.00000
     26     -15.8235      1.00000
     27     -15.8005      1.00000
     28     -15.7651      1.00000
     29     -15.1742      1.00000
     30     -14.4915      1.00000
     31     -14.4590      1.00000
     32     -14.2183      1.00000
     33     -13.8958      1.00000
     34     -13.8907      1.00000
     35     -13.7564      1.00000
     36     -13.7363      1.00000
     37     -13.5521      1.00000
     38     -13.5037      1.00000
     39     -13.3010      1.00000
     40     -12.5652      1.00000
     41     -12.1253      1.00000
     42     -12.0665      1.00000
     43     -12.0106      1.00000
     44     -11.9522      1.00000
     45     -11.6112      1.00000
     46     -11.5886      1.00000
     47     -11.0850      1.00000
     48     -11.0523      1.00000
     49     -10.7527      1.00000
     50     -10.6643      1.00000
     51     -10.5258      1.00000
     52     -10.1492      1.00000
     53     -10.1390      1.00000
     54     -10.0971      1.00000
     55      -9.9535      1.00000
     56      -9.9482      1.00000
     57      -9.9181      1.00000
     58      -9.7379      1.00000
     59      -9.7319      1.00000
     60      -9.7009      1.00000
     61      -9.6911      1.00000
     62      -9.4284      1.00000
     63      -9.3636      1.00000
     64      -9.0852      1.00000
     65      -9.0072      1.00000
     66      -8.9750      1.00000
     67      -8.8883      1.00000
     68      -8.8122      1.00000
     69      -8.6582      1.00000
     70      -8.6355      1.00000
     71      -8.5771      1.00000
     72      -8.4785      1.00000
     73      -8.4678      1.00000
     74      -8.3984      1.00000
     75      -8.3947      1.00000
     76      -8.1848      1.00000
     77      -8.1137      1.00000
     78      -7.9781      1.00000
     79      -7.9147      1.00000
     80      -7.8473      1.00000
     81      -7.6174      1.00000
     82      -7.5307      1.00000
     83      -7.4692      1.00000
     84      -7.2574      1.00000
     85      -6.9346      1.00000
     86      -6.8581      1.00000
     87      -6.8115      1.00000
     88      -6.5737      1.00000
     89      -6.4670      1.00000
     90      -6.4205      1.00000
     91      -6.3573      1.00000
     92      -6.0518      1.00000
     93      -5.8777      1.00000
     94      -5.7534      1.00000
     95      -5.7222      1.00000
     96      -5.4767      1.00000
     97      -5.3461      1.00000
     98      -5.1806      1.00000
     99      -5.1567      1.00000
    100      -5.1550      1.00000
    101      -4.7069      1.00000
    102      -4.4399      1.00000
    103      -4.2535      1.00000
    104      -3.9943      1.00000
    105      -3.8252      1.00000
    106      -3.1566      1.00000
    107      -2.4633      0.00000
    108      -1.3796      0.00000
    109      -1.2410      0.00000
    110      -1.1465      0.00000
    111      -1.1148      0.00000
    112      -0.5649      0.00000
    113      -0.4347      0.00000
    114      -0.4302      0.00000
    115      -0.3101      0.00000
    116      -0.1907      0.00000
    117       0.0618      0.00000
    118       0.1162      0.00000
    119       0.5404      0.00000
    120       0.6838      0.00000
    121       0.8688      0.00000
    122       0.9645      0.00000
    123       1.1076      0.00000
    124       1.4926      0.00000
    125       1.6585      0.00000
    126       1.7989      0.00000
    127       1.8709      0.00000
    128       2.0898      0.00000
    129       2.1339      0.00000
    130       2.1917      0.00000
    131       2.2133      0.00000
    132       2.3400      0.00000
    133       2.3571      0.00000
    134       2.4845      0.00000
    135       2.5758      0.00000
    136       2.6665      0.00000
    137       2.8784      0.00000
    138       2.9372      0.00000
    139       2.9633      0.00000
    140       2.9905      0.00000
    141       3.0358      0.00000
    142       3.1482      0.00000
    143       3.1774      0.00000
    144       3.2404      0.00000
    145       3.2879      0.00000
    146       3.3313      0.00000
    147       3.3489      0.00000
    148       3.3784      0.00000
    149       3.4042      0.00000
    150       3.4935      0.00000
    151       3.5453      0.00000
    152       3.6260      0.00000
    153       3.6892      0.00000
    154       3.7058      0.00000
    155       3.7196      0.00000
    156       3.9183      0.00000
    157       3.9335      0.00000
    158       4.0528      0.00000
    159       4.0849      0.00000
    160       4.1964      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2488      1.00000
      2     -21.8962      1.00000
      3     -21.8225      1.00000
      4     -21.3172      1.00000
      5     -21.2784      1.00000
      6     -20.7724      1.00000
      7     -20.7034      1.00000
      8     -20.5554      1.00000
      9     -20.0236      1.00000
     10     -19.9914      1.00000
     11     -19.6511      1.00000
     12     -19.6201      1.00000
     13     -18.9441      1.00000
     14     -18.9095      1.00000
     15     -18.5848      1.00000
     16     -18.5474      1.00000
     17     -18.3928      1.00000
     18     -17.6025      1.00000
     19     -17.5712      1.00000
     20     -17.5419      1.00000
     21     -17.5090      1.00000
     22     -17.0750      1.00000
     23     -17.0282      1.00000
     24     -16.9007      1.00000
     25     -15.9459      1.00000
     26     -15.8520      1.00000
     27     -15.5338      1.00000
     28     -15.5074      1.00000
     29     -15.2098      1.00000
     30     -14.8143      1.00000
     31     -14.7620      1.00000
     32     -14.5100      1.00000
     33     -14.4682      1.00000
     34     -14.0968      1.00000
     35     -14.0937      1.00000
     36     -13.1048      1.00000
     37     -13.0304      1.00000
     38     -12.9570      1.00000
     39     -12.9499      1.00000
     40     -12.6560      1.00000
     41     -12.6278      1.00000
     42     -12.2749      1.00000
     43     -12.2477      1.00000
     44     -11.5732      1.00000
     45     -11.5539      1.00000
     46     -11.5012      1.00000
     47     -10.8781      1.00000
     48     -10.8690      1.00000
     49     -10.6805      1.00000
     50     -10.5253      1.00000
     51     -10.5207      1.00000
     52     -10.4341      1.00000
     53     -10.4167      1.00000
     54     -10.3706      1.00000
     55     -10.2884      1.00000
     56     -10.0610      1.00000
     57      -9.8328      1.00000
     58      -9.5587      1.00000
     59      -9.4848      1.00000
     60      -9.4438      1.00000
     61      -9.3561      1.00000
     62      -9.3395      1.00000
     63      -9.3081      1.00000
     64      -9.3031      1.00000
     65      -9.2068      1.00000
     66      -9.0997      1.00000
     67      -9.0687      1.00000
     68      -9.0495      1.00000
     69      -8.8497      1.00000
     70      -8.7972      1.00000
     71      -8.7782      1.00000
     72      -8.5274      1.00000
     73      -8.4966      1.00000
     74      -8.2254      1.00000
     75      -8.1297      1.00000
     76      -8.0931      1.00000
     77      -7.8066      1.00000
     78      -7.7676      1.00000
     79      -7.7405      1.00000
     80      -7.7026      1.00000
     81      -7.6354      1.00000
     82      -7.6250      1.00000
     83      -7.3884      1.00000
     84      -7.3447      1.00000
     85      -7.2201      1.00000
     86      -6.8436      1.00000
     87      -6.8209      1.00000
     88      -6.6395      1.00000
     89      -6.5299      1.00000
     90      -6.3414      1.00000
     91      -6.2734      1.00000
     92      -6.1956      1.00000
     93      -6.1321      1.00000
     94      -6.0210      1.00000
     95      -5.6357      1.00000
     96      -5.5089      1.00000
     97      -5.2980      1.00000
     98      -5.1564      1.00000
     99      -5.0403      1.00000
    100      -4.7254      1.00000
    101      -4.6857      1.00000
    102      -4.3675      1.00000
    103      -4.1836      1.00000
    104      -4.0074      1.00000
    105      -3.8247      1.00000
    106      -3.4844      1.00000
    107      -2.1647      0.00000
    108      -1.3839      0.00000
    109      -1.2354      0.00000
    110      -1.1852      0.00000
    111      -1.0146      0.00000
    112      -0.9558      0.00000
    113      -0.7975      0.00000
    114      -0.7524      0.00000
    115      -0.3679      0.00000
    116       0.2456      0.00000
    117       0.2766      0.00000
    118       0.3638      0.00000
    119       0.6974      0.00000
    120       0.8684      0.00000
    121       0.9657      0.00000
    122       1.1231      0.00000
    123       1.2329      0.00000
    124       1.4532      0.00000
    125       1.5523      0.00000
    126       1.7801      0.00000
    127       1.8498      0.00000
    128       1.8809      0.00000
    129       1.9825      0.00000
    130       2.0265      0.00000
    131       2.1933      0.00000
    132       2.2083      0.00000
    133       2.3996      0.00000
    134       2.4478      0.00000
    135       2.5479      0.00000
    136       2.6579      0.00000
    137       2.6844      0.00000
    138       2.7266      0.00000
    139       2.7653      0.00000
    140       2.8483      0.00000
    141       2.9630      0.00000
    142       3.0776      0.00000
    143       3.1865      0.00000
    144       3.2346      0.00000
    145       3.2522      0.00000
    146       3.2903      0.00000
    147       3.3280      0.00000
    148       3.4761      0.00000
    149       3.5065      0.00000
    150       3.7064      0.00000
    151       3.7194      0.00000
    152       3.7705      0.00000
    153       3.8579      0.00000
    154       3.8707      0.00000
    155       3.8967      0.00000
    156       3.9950      0.00000
    157       3.9976      0.00000
    158       4.0456      0.00000
    159       4.0594      0.00000
    160       4.0848      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3208      1.00000
      2     -21.7626      1.00000
      3     -21.5688      1.00000
      4     -21.5416      1.00000
      5     -21.2061      1.00000
      6     -21.1670      1.00000
      7     -20.9866      1.00000
      8     -20.0996      1.00000
      9     -20.0606      1.00000
     10     -19.5471      1.00000
     11     -19.5272      1.00000
     12     -19.3456      1.00000
     13     -19.0288      1.00000
     14     -18.9889      1.00000
     15     -18.9785      1.00000
     16     -18.9727      1.00000
     17     -18.2967      1.00000
     18     -18.2833      1.00000
     19     -17.9469      1.00000
     20     -17.0010      1.00000
     21     -16.9601      1.00000
     22     -16.8831      1.00000
     23     -16.8703      1.00000
     24     -16.4166      1.00000
     25     -16.3940      1.00000
     26     -15.5416      1.00000
     27     -15.5384      1.00000
     28     -15.1735      1.00000
     29     -15.1719      1.00000
     30     -15.1315      1.00000
     31     -15.0368      1.00000
     32     -15.0017      1.00000
     33     -14.6340      1.00000
     34     -14.6272      1.00000
     35     -13.6633      1.00000
     36     -13.6536      1.00000
     37     -13.1713      1.00000
     38     -12.5729      1.00000
     39     -12.5137      1.00000
     40     -12.3864      1.00000
     41     -12.3857      1.00000
     42     -12.0356      1.00000
     43     -12.0317      1.00000
     44     -11.6558      1.00000
     45     -11.6154      1.00000
     46     -11.2058      1.00000
     47     -11.1576      1.00000
     48     -10.9553      1.00000
     49     -10.9428      1.00000
     50     -10.8611      1.00000
     51     -10.8289      1.00000
     52     -10.6245      1.00000
     53     -10.1460      1.00000
     54     -10.0848      1.00000
     55     -10.0253      1.00000
     56      -9.9465      1.00000
     57      -9.6314      1.00000
     58      -9.6298      1.00000
     59      -9.6037      1.00000
     60      -9.5410      1.00000
     61      -9.5035      1.00000
     62      -9.4799      1.00000
     63      -9.2724      1.00000
     64      -9.2358      1.00000
     65      -9.2079      1.00000
     66      -9.1802      1.00000
     67      -9.0632      1.00000
     68      -9.0473      1.00000
     69      -9.0437      1.00000
     70      -8.8775      1.00000
     71      -8.8093      1.00000
     72      -8.5341      1.00000
     73      -8.5334      1.00000
     74      -8.4979      1.00000
     75      -8.0311      1.00000
     76      -7.8320      1.00000
     77      -7.7996      1.00000
     78      -7.7751      1.00000
     79      -7.7033      1.00000
     80      -7.6847      1.00000
     81      -7.4145      1.00000
     82      -7.2872      1.00000
     83      -7.2519      1.00000
     84      -7.2039      1.00000
     85      -7.0818      1.00000
     86      -7.0759      1.00000
     87      -6.9387      1.00000
     88      -6.7114      1.00000
     89      -6.6747      1.00000
     90      -6.6299      1.00000
     91      -6.5579      1.00000
     92      -6.0715      1.00000
     93      -6.0316      1.00000
     94      -6.0014      1.00000
     95      -5.9383      1.00000
     96      -5.7998      1.00000
     97      -5.1795      1.00000
     98      -4.8937      1.00000
     99      -4.7939      1.00000
    100      -4.6111      1.00000
    101      -4.5122      1.00000
    102      -4.1398      1.00000
    103      -4.0906      1.00000
    104      -3.9306      1.00000
    105      -3.9157      1.00000
    106      -3.8241      1.00000
    107      -1.7522      0.00000
    108      -1.6963      0.00000
    109      -1.4109      0.00000
    110      -1.3705      0.00000
    111      -1.2647      0.00000
    112      -1.2363      0.00000
    113      -0.6258      0.00000
    114      -0.5984      0.00000
    115      -0.1898      0.00000
    116       0.0408      0.00000
    117       0.5818      0.00000
    118       0.7410      0.00000
    119       0.8493      0.00000
    120       0.9278      0.00000
    121       1.1674      0.00000
    122       1.2100      0.00000
    123       1.2446      0.00000
    124       1.4160      0.00000
    125       1.5961      0.00000
    126       1.6340      0.00000
    127       1.7026      0.00000
    128       1.8014      0.00000
    129       1.9219      0.00000
    130       1.9400      0.00000
    131       2.1428      0.00000
    132       2.1707      0.00000
    133       2.2593      0.00000
    134       2.2978      0.00000
    135       2.5393      0.00000
    136       2.5554      0.00000
    137       2.6305      0.00000
    138       2.7582      0.00000
    139       2.8024      0.00000
    140       2.8411      0.00000
    141       2.8933      0.00000
    142       2.9387      0.00000
    143       3.0096      0.00000
    144       3.0251      0.00000
    145       3.0838      0.00000
    146       3.3042      0.00000
    147       3.3640      0.00000
    148       3.4146      0.00000
    149       3.4737      0.00000
    150       3.5993      0.00000
    151       3.6550      0.00000
    152       3.6607      0.00000
    153       3.6771      0.00000
    154       3.8866      0.00000
    155       3.9721      0.00000
    156       4.0181      0.00000
    157       4.0705      0.00000
    158       4.2314      0.00000
    159       4.2541      0.00000
    160       4.2613      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1421      1.00000
      2     -22.0492      1.00000
      3     -21.8871      1.00000
      4     -21.3365      1.00000
      5     -20.9777      1.00000
      6     -20.9483      1.00000
      7     -20.4290      1.00000
      8     -20.3970      1.00000
      9     -20.2168      1.00000
     10     -20.2151      1.00000
     11     -19.8888      1.00000
     12     -19.8250      1.00000
     13     -18.8185      1.00000
     14     -18.7479      1.00000
     15     -18.2666      1.00000
     16     -18.2525      1.00000
     17     -18.0810      1.00000
     18     -18.0745      1.00000
     19     -17.7466      1.00000
     20     -17.7308      1.00000
     21     -17.1954      1.00000
     22     -17.1723      1.00000
     23     -17.0892      1.00000
     24     -17.0689      1.00000
     25     -16.0548      1.00000
     26     -15.8094      1.00000
     27     -15.7998      1.00000
     28     -15.7784      1.00000
     29     -15.1596      1.00000
     30     -14.4863      1.00000
     31     -14.4650      1.00000
     32     -14.2046      1.00000
     33     -13.9167      1.00000
     34     -13.8872      1.00000
     35     -13.7595      1.00000
     36     -13.7393      1.00000
     37     -13.5369      1.00000
     38     -13.5110      1.00000
     39     -13.3024      1.00000
     40     -12.5775      1.00000
     41     -12.1017      1.00000
     42     -12.0775      1.00000
     43     -11.9994      1.00000
     44     -11.9519      1.00000
     45     -11.6057      1.00000
     46     -11.5983      1.00000
     47     -11.0844      1.00000
     48     -11.0617      1.00000
     49     -10.7324      1.00000
     50     -10.6655      1.00000
     51     -10.5580      1.00000
     52     -10.1402      1.00000
     53     -10.1358      1.00000
     54     -10.1017      1.00000
     55      -9.9664      1.00000
     56      -9.9259      1.00000
     57      -9.9226      1.00000
     58      -9.7509      1.00000
     59      -9.7296      1.00000
     60      -9.6979      1.00000
     61      -9.6952      1.00000
     62      -9.4005      1.00000
     63      -9.3899      1.00000
     64      -9.0684      1.00000
     65      -8.9828      1.00000
     66      -8.9818      1.00000
     67      -8.9061      1.00000
     68      -8.8130      1.00000
     69      -8.6496      1.00000
     70      -8.6342      1.00000
     71      -8.5466      1.00000
     72      -8.5024      1.00000
     73      -8.4833      1.00000
     74      -8.3948      1.00000
     75      -8.3829      1.00000
     76      -8.2103      1.00000
     77      -8.1017      1.00000
     78      -8.0076      1.00000
     79      -7.9017      1.00000
     80      -7.8432      1.00000
     81      -7.6221      1.00000
     82      -7.5335      1.00000
     83      -7.4576      1.00000
     84      -7.2539      1.00000
     85      -6.9427      1.00000
     86      -6.8688      1.00000
     87      -6.8102      1.00000
     88      -6.4786      1.00000
     89      -6.4687      1.00000
     90      -6.4101      1.00000
     91      -6.3605      1.00000
     92      -6.1881      1.00000
     93      -5.8587      1.00000
     94      -5.7381      1.00000
     95      -5.7119      1.00000
     96      -5.5231      1.00000
     97      -5.3294      1.00000
     98      -5.1727      1.00000
     99      -5.1679      1.00000
    100      -5.1345      1.00000
    101      -4.6960      1.00000
    102      -4.3482      1.00000
    103      -4.2776      1.00000
    104      -4.0272      1.00000
    105      -3.8262      1.00000
    106      -3.2334      1.00000
    107      -2.4056      0.00000
    108      -1.3461      0.00000
    109      -1.2437      0.00000
    110      -1.1536      0.00000
    111      -1.1086      0.00000
    112      -0.5840      0.00000
    113      -0.5210      0.00000
    114      -0.4339      0.00000
    115      -0.2749      0.00000
    116      -0.0719      0.00000
    117      -0.0114      0.00000
    118       0.0599      0.00000
    119       0.5836      0.00000
    120       0.7103      0.00000
    121       0.8076      0.00000
    122       0.9397      0.00000
    123       1.1794      0.00000
    124       1.5063      0.00000
    125       1.6164      0.00000
    126       1.8546      0.00000
    127       2.0018      0.00000
    128       2.0483      0.00000
    129       2.1090      0.00000
    130       2.1438      0.00000
    131       2.2603      0.00000
    132       2.2848      0.00000
    133       2.3473      0.00000
    134       2.4567      0.00000
    135       2.6081      0.00000
    136       2.6983      0.00000
    137       2.8158      0.00000
    138       2.9148      0.00000
    139       2.9422      0.00000
    140       3.0095      0.00000
    141       3.0439      0.00000
    142       3.1549      0.00000
    143       3.1596      0.00000
    144       3.2215      0.00000
    145       3.2978      0.00000
    146       3.3078      0.00000
    147       3.3520      0.00000
    148       3.3715      0.00000
    149       3.4141      0.00000
    150       3.4383      0.00000
    151       3.5554      0.00000
    152       3.6060      0.00000
    153       3.6970      0.00000
    154       3.7191      0.00000
    155       3.8440      0.00000
    156       3.9006      0.00000
    157       3.9298      0.00000
    158       3.9573      0.00000
    159       4.1436      0.00000
    160       4.1786      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2148      1.00000
      2     -22.0096      1.00000
      3     -21.6475      1.00000
      4     -21.6162      1.00000
      5     -20.9111      1.00000
      6     -20.8702      1.00000
      7     -20.5404      1.00000
      8     -20.5077      1.00000
      9     -20.5009      1.00000
     10     -19.9634      1.00000
     11     -19.4419      1.00000
     12     -19.4201      1.00000
     13     -19.2411      1.00000
     14     -19.2339      1.00000
     15     -18.3771      1.00000
     16     -18.3419      1.00000
     17     -17.8597      1.00000
     18     -17.8437      1.00000
     19     -17.6922      1.00000
     20     -17.6561      1.00000
     21     -17.3731      1.00000
     22     -17.3589      1.00000
     23     -17.2678      1.00000
     24     -16.4142      1.00000
     25     -16.3909      1.00000
     26     -15.9057      1.00000
     27     -15.3445      1.00000
     28     -15.3397      1.00000
     29     -15.0320      1.00000
     30     -15.0224      1.00000
     31     -14.7769      1.00000
     32     -14.7747      1.00000
     33     -14.2380      1.00000
     34     -14.1877      1.00000
     35     -13.3879      1.00000
     36     -13.3340      1.00000
     37     -13.1117      1.00000
     38     -13.1038      1.00000
     39     -12.9188      1.00000
     40     -12.9133      1.00000
     41     -12.5459      1.00000
     42     -12.5383      1.00000
     43     -12.1338      1.00000
     44     -11.5147      1.00000
     45     -11.4702      1.00000
     46     -11.2456      1.00000
     47     -11.2141      1.00000
     48     -11.0864      1.00000
     49     -10.7038      1.00000
     50     -10.5962      1.00000
     51     -10.5097      1.00000
     52     -10.2521      1.00000
     53     -10.2481      1.00000
     54     -10.1222      1.00000
     55     -10.0547      1.00000
     56     -10.0397      1.00000
     57      -9.7846      1.00000
     58      -9.6877      1.00000
     59      -9.6746      1.00000
     60      -9.6381      1.00000
     61      -9.6285      1.00000
     62      -9.5869      1.00000
     63      -9.2959      1.00000
     64      -9.2841      1.00000
     65      -9.2538      1.00000
     66      -9.0635      1.00000
     67      -8.8953      1.00000
     68      -8.8844      1.00000
     69      -8.7194      1.00000
     70      -8.5805      1.00000
     71      -8.5268      1.00000
     72      -8.3512      1.00000
     73      -8.3053      1.00000
     74      -8.2442      1.00000
     75      -8.2385      1.00000
     76      -8.1950      1.00000
     77      -8.1819      1.00000
     78      -8.1702      1.00000
     79      -8.1056      1.00000
     80      -7.6900      1.00000
     81      -7.4190      1.00000
     82      -7.3431      1.00000
     83      -7.2593      1.00000
     84      -7.1689      1.00000
     85      -7.1111      1.00000
     86      -7.0050      1.00000
     87      -6.9047      1.00000
     88      -6.8485      1.00000
     89      -6.5424      1.00000
     90      -6.4986      1.00000
     91      -6.2105      1.00000
     92      -6.2020      1.00000
     93      -5.8952      1.00000
     94      -5.6738      1.00000
     95      -5.6073      1.00000
     96      -5.5811      1.00000
     97      -5.2538      1.00000
     98      -5.2317      1.00000
     99      -5.1653      1.00000
    100      -5.1351      1.00000
    101      -4.5989      1.00000
    102      -4.2478      1.00000
    103      -4.0438      1.00000
    104      -3.8850      1.00000
    105      -3.8390      1.00000
    106      -3.8002      1.00000
    107      -1.8082      0.00000
    108      -1.7810      0.00000
    109      -1.2263      0.00000
    110      -1.1752      0.00000
    111      -0.9740      0.00000
    112      -0.7349      0.00000
    113      -0.6496      0.00000
    114      -0.5939      0.00000
    115      -0.5499      0.00000
    116      -0.1552      0.00000
    117       0.1768      0.00000
    118       0.2878      0.00000
    119       0.7033      0.00000
    120       0.9456      0.00000
    121       1.1692      0.00000
    122       1.2777      0.00000
    123       1.3413      0.00000
    124       1.5085      0.00000
    125       1.6064      0.00000
    126       1.6265      0.00000
    127       1.6911      0.00000
    128       1.7718      0.00000
    129       1.8572      0.00000
    130       2.0725      0.00000
    131       2.1590      0.00000
    132       2.3162      0.00000
    133       2.3897      0.00000
    134       2.4217      0.00000
    135       2.5509      0.00000
    136       2.6222      0.00000
    137       2.6860      0.00000
    138       2.7408      0.00000
    139       2.8074      0.00000
    140       2.9054      0.00000
    141       3.0484      0.00000
    142       3.0595      0.00000
    143       3.1780      0.00000
    144       3.2778      0.00000
    145       3.3761      0.00000
    146       3.4089      0.00000
    147       3.4566      0.00000
    148       3.5454      0.00000
    149       3.5702      0.00000
    150       3.6318      0.00000
    151       3.6609      0.00000
    152       3.7013      0.00000
    153       3.7801      0.00000
    154       3.7909      0.00000
    155       3.8200      0.00000
    156       3.8891      0.00000
    157       3.9028      0.00000
    158       3.9717      0.00000
    159       4.1866      0.00000
    160       4.2261      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0391   -7.2568    3.9829   -1.1314   -0.1851   17.3733    0.4907   -0.8147    0.7707   -0.4759
x    -3.1264   -0.0252   -0.0207   -0.0263    0.0913   -3.0540    0.0303   -0.0243    0.0083    0.0018
x    -0.0953   -0.0029    0.0035   -0.0031    0.0021   -0.0242    0.0000    0.0000   -0.0001    0.0001
x    -0.0035   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0391    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0034    0.0000    0.0004    0.0007    0.0028   -0.0985   -0.0315    0.0618    0.0184
y     0.0232   -3.2430   -0.1787    0.1698   -2.4145   -0.6650
z   204.0391    1.7390    0.2874    0.0898   -0.0014    0.0776   -0.0019    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1048    0.0015   -0.0009   -0.0001    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0013   -0.0001    0.0001    0.0000
z    -0.0001    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  -16.7039
z     0.1405    0.2292   -0.0318    0.0573   -0.0903    0.0006
 total charge-density along one line
x   212.0000  -10.0881    5.9298   -1.9404   -0.4206   19.2925   -0.6588    0.2078    0.0655   -0.1052
x    -2.7066   -0.0089    0.0018   -0.0453    0.0971   -2.3454    0.0476   -0.0343    0.0117    0.0024
x    -0.0854   -0.0055    0.0083   -0.0079    0.0053   -0.0374    0.0000   -0.0001    0.0004   -0.0004
x    -0.0054    0.0000   -0.0002    0.0001    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  -10.0881    5.9298   -1.9404   -0.4206   19.2925   -0.6588    0.2078    0.0655   -0.1052
y    -2.7066   -0.0089    0.0018   -0.0453    0.0971   -2.3454    0.0476   -0.0343    0.0117    0.0024
y    -0.0854   -0.0055    0.0083   -0.0079    0.0053   -0.0374    0.0000   -0.0001    0.0004   -0.0004
y    -0.0054    0.0000   -0.0002    0.0001    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 -205.2995  188.8552 -170.1547  154.0948 -140.4387  126.5439 -111.0574   94.7735  -79.0944
z    64.7178  -51.7789   40.5501  -31.5126   24.8036  -19.8825   15.8777  -12.2210    8.9094   -6.2231
z     4.2942   -2.9629    1.9639   -1.1546    0.5445   -0.1599   -0.0588    0.2211   -0.3850    0.5199
z    -0.5682    0.5234   -0.4395    0.3761   -0.3481    0.3298   -0.2952    0.2450   -0.1975    0.1643
z    -0.1416    0.1196   -0.0957    0.0747   -0.0610    0.0533   -0.0468    0.0390   -0.0313    0.0258
z    -0.0227    0.0203   -0.0173    0.0140   -0.0113    0.0093   -0.0076    0.0058   -0.0043    0.0032
z    -0.0022    0.0013   -0.0004   -0.0002    0.0004   -0.0004    0.0005   -0.0008    0.0009   -0.0007
z     0.0004   -0.0002    0.0001   -0.0001    0.0000    0.0002   -0.0003    0.0003   -0.0003    0.0003
z    -0.0003    0.0003   -0.0002    0.0002   -0.0002    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001
z     0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 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
-10.939   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.268   0.000  -0.102   0.000   0.000   0.239   0.000
  0.041   0.000 -11.243   0.000  -0.024  -0.006   0.000   0.237
  0.000  -0.102   0.000 -11.150   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.936   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.237   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.225   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.199   0.000   0.000   0.000
  0.036   0.000   0.100   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.026   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.939   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.268   0.000  -0.102   0.000   0.000   0.239   0.000
  0.041   0.000 -11.243   0.000  -0.024  -0.006   0.000   0.237
  0.000  -0.102   0.000 -11.150   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.936   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.237   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.225   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.199   0.000   0.000   0.000
  0.036   0.000   0.100   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.026   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.960   0.000  -0.027   0.000   0.002   0.021   0.000   0.057   0.000  -0.014  -0.026   0.025   0.000  -0.001   0.000   0.000
  0.000   1.586   0.000  -0.148   0.000   0.000   0.594   0.000   0.260   0.000   0.000   0.000   0.160   0.000   0.106  -0.035
 -0.027   0.000   1.789   0.000   0.019   0.044   0.000   0.353   0.000  -0.027  -0.232  -0.043   0.000   0.096   0.000   0.000
  0.000  -0.148   0.000   1.756   0.000   0.000   0.260   0.000   0.293   0.000   0.000   0.000   0.108   0.000   0.039   0.005
  0.002   0.000   0.019   0.000   1.966  -0.014   0.000  -0.035   0.000   0.003   0.011  -0.015   0.000   0.003   0.000   0.000
  0.021   0.000   0.044   0.000  -0.014   0.063   0.000   0.101   0.000  -0.024   0.193  -0.053   0.000   0.115   0.000   0.000
  0.000   0.594   0.000   0.260   0.000   0.000   0.329   0.000   0.107   0.000   0.000   0.000   0.057   0.000   0.066  -0.011
  0.057   0.000   0.353   0.000  -0.035   0.101   0.000   0.558   0.000  -0.057   0.698  -0.290   0.000   0.087   0.000   0.000
  0.000   0.260   0.000   0.293   0.000   0.000   0.107   0.000   0.206   0.000   0.000   0.000   0.065   0.000  -0.019  -0.006
 -0.014   0.000  -0.027   0.000   0.003  -0.024   0.000  -0.057   0.000   0.036  -0.109   0.031   0.000  -0.068   0.000   0.000
 -0.026   0.000  -0.232   0.000   0.011   0.193   0.000   0.698   0.000  -0.109   1.351  -0.432   0.000   0.266   0.000   0.000
  0.025   0.000  -0.043   0.000  -0.015  -0.053   0.000  -0.290   0.000   0.031  -0.432   0.191   0.000  -0.034   0.000   0.000
  0.000   0.160   0.000   0.108   0.000   0.000   0.057   0.000   0.065   0.000   0.000   0.000   0.043   0.000   0.012  -0.004
 -0.001   0.000   0.096   0.000   0.003   0.115   0.000   0.087   0.000  -0.068   0.266  -0.034   0.000   0.308   0.000   0.000
  0.000   0.106   0.000   0.039   0.000   0.000   0.066   0.000  -0.019   0.000   0.000   0.000   0.012   0.000   0.031  -0.002
  0.000  -0.035   0.000   0.005   0.000   0.000  -0.011   0.000  -0.006   0.000   0.000   0.000  -0.004   0.000  -0.002   0.001
  0.001   0.000  -0.037   0.000  -0.001  -0.005   0.000  -0.009   0.000   0.003  -0.006   0.000   0.000  -0.014   0.000   0.000
  0.000   0.005   0.000  -0.041   0.000   0.000  -0.006   0.000  -0.004   0.000   0.000   0.000  -0.002   0.000  -0.002   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        0.638   0.276   8.026   8.940
  2        0.514   0.028   0.000   0.542
  3        0.514   0.028   0.000   0.542
  4        0.864   1.783   0.000   2.647
  5        0.864   1.783   0.000   2.646
  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   1.783   0.000   2.647
 10        0.864   1.784   0.000   2.648
 11        0.863   1.783   0.000   2.646
 12        0.864   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.646
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.863   1.777   0.000   2.640
 17        0.856   1.773   0.000   2.629
 18        0.864   1.784   0.000   2.648
 19        0.864   1.782   0.000   2.646
 20        0.864   1.782   0.000   2.646
 21        0.863   1.781   0.000   2.644
 22        0.863   1.776   0.000   2.640
 23        0.863   1.783   0.000   2.646
 24        0.864   1.783   0.000   2.647
 25        0.864   1.783   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   1.783   0.000   2.647
 29        0.864   1.783   0.000   2.647
 30        0.864   1.783   0.000   2.647
 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   2.646
 34        0.864   1.782   0.000   2.646
 35        0.863   1.783   0.000   2.646
 36        0.863   1.776   0.000   2.640
 37        0.863   1.781   0.000   2.644
 38        0.864   1.782   0.000   2.646
 39        0.864   1.784   0.000   2.648
 40        0.864   1.784   0.000   2.648
 41        0.856   1.773   0.000   2.629
 42        0.863   1.777   0.000   2.640
 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   2.646
 46        0.864   1.785   0.000   2.648
 47        0.863   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   1.783   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   1.783   0.000   2.646
------------------------------------------------
tot       44.832  89.438   8.026 142.297
 


 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  116.69: CPU time   58.82
    FORLOC:  VPU time    1.26: CPU time    1.26
    FORNL :  VPU time  457.08: CPU time  229.76
    STRESS:  VPU time 1375.90: CPU time  692.21
    FORCOR:  VPU time    8.77: CPU time    8.77
    FORHAR:  VPU time    2.31: CPU time    2.31
    MIXING:  VPU time    0.18: CPU time    0.18
 d Force = 0.1450095E-04[ 0.116E-05, 0.278E-04]  d Energy = 0.2076739E-04-0.627E-05
 d Force = 0.8984718E+00[ 0.898E+00, 0.898E+00]  d Ewald  = 0.1556796E+01-0.658E+00


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.644886 eV

  energy  without entropy=     -471.644886  energy(sigma->0) =     -471.644886
 

  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    40733.70  40750.55 -47435.79     14.60      0.00      0.00
  Hartree  40199.21  40203.00 -39453.73      3.28      0.00      0.00
  E(xc)     -779.75   -779.56   -807.28      0.17      0.00      0.00
  Local   -83226.07 -83240.53  84206.82    -12.52      0.00      0.00
  n-local   -215.84   -215.73   -203.87     -0.16      0.00      0.00
  augment     22.09     20.52     17.36     -1.36      0.00      0.00
  Kinetic   3168.85   3171.48   3582.25     -6.19      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.10     -0.11     -0.30     -0.01      0.00      0.00
  in kB       -0.06     -0.07     -0.18     -0.01      0.00      0.00
  external pressure =       -0.10 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
    12.347049288  0.001768300  0.000000000     0.080984317  0.046740921  0.000000000
    -6.171999894 10.693738547  0.000000000    -0.000013391  0.093504937  0.000000000
     0.000000000  0.000000000 19.978198645     0.000000000  0.000000000  0.050054563

  length of vectors
    12.347049415 12.347049316 19.978198645     0.093504937  0.093504938  0.050054563


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.393E-05 -.457E-04 -.960E+03   0.431E-05 -.274E-04 0.968E+03   -.535E-22 -.368E-22 -.793E+01   -.192E-07 0.868E-08 0.135E-01
   -.175E+02 -.304E+02 -.136E+03   0.184E+02 0.318E+02 0.138E+03   -.829E+00 -.144E+01 -.258E+01   -.291E-03 -.505E-03 -.113E-02
   0.175E+02 0.304E+02 -.136E+03   -.184E+02 -.318E+02 0.138E+03   0.829E+00 0.144E+01 -.258E+01   0.291E-03 0.505E-03 -.113E-02
   -.196E+01 0.113E+01 0.170E+02   0.197E+01 -.114E+01 -.170E+02   -.898E-02 0.518E-02 -.854E-02   -.221E-04 0.981E-05 0.456E-02
   0.579E+01 0.690E+01 0.198E+02   -.580E+01 -.693E+01 -.198E+02   0.635E-02 0.329E-01 -.192E-01   0.939E-04 -.747E-03 0.397E-02
   0.113E+02 0.504E+01 0.184E+02   -.113E+02 -.505E+01 -.183E+02   0.250E-01 0.866E-02 -.540E-01   -.890E-03 0.183E-02 0.843E-03
   0.454E+01 -.102E+01 0.164E+02   -.456E+01 0.103E+01 -.164E+02   0.202E-01 -.167E-01 -.124E-02   -.607E-04 0.112E-02 -.306E-03
   -.291E+01 -.239E+01 0.150E+02   0.293E+01 0.241E+01 -.150E+02   -.153E-01 -.149E-01 -.106E-02   0.497E-03 0.158E-03 0.225E-02
   0.617E+00 0.372E+01 0.150E+02   -.622E+00 -.374E+01 -.150E+02   0.525E-02 0.207E-01 -.106E-02   0.106E-03 -.516E-03 0.224E-02
   0.274E+01 0.182E+02 0.247E+02   -.275E+01 -.183E+02 -.247E+02   0.928E-02 0.111E+00 -.463E-02   -.572E-03 0.175E-02 0.978E-03
   0.215E+02 0.226E+02 0.396E+02   -.216E+02 -.228E+02 -.396E+02   0.117E+00 0.228E+00 -.198E-01   -.250E-02 -.103E-02 -.206E-02
   0.265E+02 -.448E+01 0.269E+02   -.267E+02 0.460E+01 -.268E+02   0.236E+00 -.119E+00 -.592E-01   -.142E-02 -.138E-03 -.209E-02
   0.916E+01 -.529E+01 0.155E+02   -.918E+01 0.530E+01 -.155E+02   0.180E-01 -.104E-01 0.481E-03   0.166E-02 -.965E-03 0.829E-03
   0.315E+01 -.342E+01 0.164E+02   -.318E+01 0.343E+01 -.164E+02   0.246E-01 -.913E-02 -.124E-02   -.100E-02 -.510E-03 -.314E-03
   -.603E+01 0.132E+02 0.199E+02   0.604E+01 -.132E+02 -.199E+02   -.567E-02 0.743E-01 -.119E-01   -.980E-03 -.517E-03 -.113E-02
   -.123E+02 0.335E+02 0.459E+02   0.123E+02 -.342E+02 -.462E+02   -.911E-01 0.681E+00 0.343E+00   0.189E-03 -.152E-02 -.218E-02
   0.263E+02 -.152E+02 0.699E+02   -.273E+02 0.158E+02 -.719E+02   0.968E+00 -.559E+00 0.211E+01   -.267E-02 0.154E-02 -.213E-02
   0.171E+02 -.207E+02 0.269E+02   -.174E+02 0.209E+02 -.268E+02   0.221E+00 -.144E+00 -.592E-01   -.594E-03 0.129E-02 -.210E-02
   0.126E+01 -.123E+02 0.184E+02   -.126E+01 0.123E+02 -.183E+02   0.499E-02 -.260E-01 -.540E-01   -.203E-02 -.145E-03 0.838E-03
   -.387E+01 0.156E+01 0.144E+02   0.387E+01 -.157E+01 -.144E+02   -.567E-02 0.174E-02 -.414E-01   -.660E-03 -.106E-02 0.110E-02
   -.182E+02 0.105E+02 0.212E+02   0.182E+02 -.105E+02 -.211E+02   -.636E-01 0.367E-01 -.119E+00   0.222E-02 -.128E-02 -.122E-02
   -.351E+02 -.612E+01 0.459E+02   0.358E+02 0.638E+01 -.462E+02   -.635E+00 -.262E+00 0.343E+00   0.141E-02 0.594E-03 -.218E-02
   -.885E+01 -.299E+02 0.396E+02   0.900E+01 0.301E+02 -.396E+02   -.139E+00 -.216E+00 -.198E-01   -.357E-03 0.268E-02 -.206E-02
   -.308E+01 -.846E+01 0.198E+02   0.310E+01 0.849E+01 -.198E+02   -.254E-01 -.220E-01 -.192E-01   0.696E-03 0.290E-03 0.397E-02
   0.126E+01 -.729E+00 0.147E+02   -.126E+01 0.727E+00 -.147E+02   -.144E-02 0.830E-03 -.323E-01   -.213E-03 0.125E-03 0.348E-02
   -.329E+01 0.257E+01 0.144E+02   0.329E+01 -.257E+01 -.144E+02   -.434E-02 0.404E-02 -.414E-01   0.592E-03 0.111E-02 0.111E-02
   -.144E+02 -.136E+01 0.199E+02   0.145E+02 0.139E+01 -.199E+02   -.672E-01 -.322E-01 -.119E-01   -.404E-04 0.111E-02 -.112E-02
   -.144E+02 -.115E+02 0.247E+02   0.145E+02 0.115E+02 -.247E+02   -.911E-01 -.633E-01 -.463E-02   -.180E-02 -.385E-03 0.981E-03
   0.308E+01 0.846E+01 0.198E+02   -.310E+01 -.849E+01 -.198E+02   0.254E-01 0.220E-01 -.192E-01   -.696E-03 -.290E-03 0.397E-02
   0.144E+02 0.115E+02 0.247E+02   -.145E+02 -.115E+02 -.247E+02   0.911E-01 0.633E-01 -.463E-02   0.180E-02 0.385E-03 0.981E-03
   0.144E+02 0.136E+01 0.199E+02   -.145E+02 -.139E+01 -.199E+02   0.672E-01 0.322E-01 -.119E-01   0.404E-04 -.111E-02 -.112E-02
   0.329E+01 -.257E+01 0.144E+02   -.329E+01 0.257E+01 -.144E+02   0.434E-02 -.404E-02 -.414E-01   -.592E-03 -.111E-02 0.111E-02
   -.126E+01 0.729E+00 0.147E+02   0.126E+01 -.727E+00 -.147E+02   0.144E-02 -.830E-03 -.323E-01   0.213E-03 -.125E-03 0.348E-02
   -.126E+01 0.123E+02 0.184E+02   0.126E+01 -.123E+02 -.183E+02   -.499E-02 0.260E-01 -.540E-01   0.203E-02 0.145E-03 0.838E-03
   0.885E+01 0.299E+02 0.396E+02   -.900E+01 -.301E+02 -.396E+02   0.139E+00 0.216E+00 -.198E-01   0.357E-03 -.268E-02 -.206E-02
   0.351E+02 0.612E+01 0.459E+02   -.358E+02 -.638E+01 -.462E+02   0.635E+00 0.262E+00 0.343E+00   -.141E-02 -.594E-03 -.218E-02
   0.182E+02 -.105E+02 0.212E+02   -.182E+02 0.105E+02 -.211E+02   0.636E-01 -.367E-01 -.119E+00   -.222E-02 0.128E-02 -.122E-02
   0.387E+01 -.156E+01 0.144E+02   -.387E+01 0.157E+01 -.144E+02   0.567E-02 -.174E-02 -.414E-01   0.660E-03 0.106E-02 0.110E-02
   -.315E+01 0.342E+01 0.164E+02   0.318E+01 -.343E+01 -.164E+02   -.246E-01 0.913E-02 -.124E-02   0.100E-02 0.510E-03 -.314E-03
   -.171E+02 0.207E+02 0.269E+02   0.174E+02 -.209E+02 -.268E+02   -.221E+00 0.144E+00 -.592E-01   0.594E-03 -.129E-02 -.210E-02
   -.263E+02 0.152E+02 0.699E+02   0.273E+02 -.158E+02 -.719E+02   -.968E+00 0.559E+00 0.211E+01   0.267E-02 -.154E-02 -.213E-02
   0.123E+02 -.335E+02 0.459E+02   -.123E+02 0.342E+02 -.462E+02   0.911E-01 -.681E+00 0.343E+00   -.189E-03 0.152E-02 -.218E-02
   0.603E+01 -.132E+02 0.199E+02   -.604E+01 0.132E+02 -.199E+02   0.567E-02 -.743E-01 -.119E-01   0.980E-03 0.517E-03 -.113E-02
   -.617E+00 -.372E+01 0.150E+02   0.622E+00 0.374E+01 -.150E+02   -.525E-02 -.207E-01 -.106E-02   -.106E-03 0.516E-03 0.224E-02
   -.916E+01 0.529E+01 0.155E+02   0.918E+01 -.530E+01 -.155E+02   -.180E-01 0.104E-01 0.481E-03   -.166E-02 0.965E-03 0.829E-03
   -.265E+02 0.448E+01 0.269E+02   0.267E+02 -.460E+01 -.268E+02   -.236E+00 0.119E+00 -.592E-01   0.142E-02 0.138E-03 -.209E-02
   -.215E+02 -.226E+02 0.396E+02   0.216E+02 0.228E+02 -.396E+02   -.117E+00 -.228E+00 -.198E-01   0.250E-02 0.103E-02 -.206E-02
   -.274E+01 -.182E+02 0.247E+02   0.275E+01 0.183E+02 -.247E+02   -.928E-02 -.111E+00 -.463E-02   0.572E-03 -.175E-02 0.978E-03
   0.196E+01 -.113E+01 0.170E+02   -.197E+01 0.114E+01 -.170E+02   0.898E-02 -.518E-02 -.854E-02   0.221E-04 -.981E-05 0.456E-02
   0.291E+01 0.239E+01 0.150E+02   -.293E+01 -.241E+01 -.150E+02   0.153E-01 0.149E-01 -.106E-02   -.497E-03 -.158E-03 0.225E-02
   -.454E+01 0.102E+01 0.164E+02   0.456E+01 -.103E+01 -.164E+02   -.202E-01 0.167E-01 -.124E-02   0.608E-04 -.112E-02 -.306E-03
   -.113E+02 -.504E+01 0.184E+02   0.113E+02 0.505E+01 -.183E+02   -.250E-01 -.866E-02 -.540E-01   0.890E-03 -.183E-02 0.843E-03
   -.579E+01 -.690E+01 0.198E+02   0.580E+01 0.693E+01 -.198E+02   -.635E-02 -.329E-01 -.192E-01   -.940E-04 0.747E-03 0.397E-02
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.306E-03 0.861E+01   0.711E-13 0.426E-13 -.618E-12   0.347E-17 0.180E-15 -.867E+01   -.460E-07 0.330E-07 0.277E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85292      6.06055     12.33686         0.000000      0.000000      0.001271
      2.26134      6.76795     13.65543         0.000124      0.000214     -0.002738
      1.44450      5.35315     13.65543        -0.000124     -0.000214     -0.002738
      0.00057     -0.00033      9.95769         0.000150     -0.000086     -0.005270
     11.11184      2.13936      9.95942         0.000458     -0.001133     -0.002655
      9.87637      4.27880      9.97159        -0.000349     -0.000270      0.000347
      8.64315      6.41802      9.97079         0.000199      0.001048      0.001404
     -4.93593      8.55507      9.96613        -0.000489     -0.000545     -0.001532
      2.47018     -0.00113      9.96613         0.000227      0.000697     -0.001532
      1.23471      2.13598      9.97115         0.000199      0.000645      0.002760
     -0.00393      4.27468     10.00033         0.000186     -0.001741     -0.001174
     -1.23829      6.41571     10.00607        -0.000853     -0.000723      0.000199
     -2.46691      8.55460      9.97883         0.001098     -0.000634     -0.001151
      4.93846      0.00130      9.97079        -0.000808     -0.000696      0.001404
      3.70476      2.13645      9.97901        -0.000461      0.000002     -0.000167
      2.47064      4.26300     10.04363         0.001175     -0.000208     -0.001337
      1.22848      6.42107     10.11404         0.001482     -0.000855      0.013539
     -0.00026      8.56004     10.00607         0.000199      0.001100      0.000199
      7.40769      0.00292      9.97159         0.000059      0.000437      0.000347
      6.17318      2.14010      9.97172         0.000960     -0.001930     -0.001095
      4.94017      4.27813      9.99978         0.000738     -0.000426      0.004953
      3.71850      6.42436     10.04363         0.000768     -0.000914     -0.001337
      2.47110      8.56157     10.00033         0.001600      0.000710     -0.001174
      9.87823      0.00269      9.95942         0.001210      0.000170     -0.002655
      8.64239      2.14065      9.96249         0.000526     -0.000303     -0.003466
      7.40826      4.27933      9.97172         0.002152      0.000134     -0.001095
      6.17721      6.41887      9.97901        -0.000232      0.000398     -0.000167
      4.94259      8.55822      9.97115        -0.000459     -0.000495      0.002760
     -0.00039      1.42467      9.95942        -0.001210     -0.000170     -0.002655
     -1.23675      3.56288      9.97115         0.000459      0.000495      0.002760
     -2.47137      5.70224      9.97901         0.000232     -0.000398     -0.000167
     -3.70242      7.84178      9.97172        -0.002152     -0.000134     -0.001095
     -4.93655      9.98045      9.96249        -0.000526      0.000303     -0.003466
      2.47015      1.42444      9.97159        -0.000059     -0.000437      0.000347
      1.23474      3.55954     10.00033        -0.001600     -0.000710     -0.001174
     -0.01266      5.69674     10.04363        -0.000768      0.000914     -0.001337
     -1.23433      7.84297      9.99978        -0.000738      0.000426      0.004953
     -2.46734      9.98100      9.97172        -0.000960      0.001930     -0.001095
      4.93938      1.42606      9.97079         0.000808      0.000696      0.001404
      3.70610      3.56107     10.00607        -0.000199     -0.001100      0.000199
      2.47736      5.70003     10.11404        -0.001482      0.000855      0.013539
      1.23520      7.85810     10.04363        -0.001175      0.000208     -0.001337
      0.00108      9.98465      9.97901         0.000461     -0.000002     -0.000167
      7.40767      1.42850      9.96613        -0.000227     -0.000697     -0.001532
      6.17275      3.56650      9.97883        -0.001098      0.000634     -0.001151
      4.94413      5.70539     10.00607         0.000853      0.000723      0.000199
      3.70977      7.84642     10.00033        -0.000186      0.001741     -0.001174
      2.47113      9.98512      9.97115        -0.000199     -0.000645      0.002760
      9.87727      1.42769      9.95769        -0.000150      0.000086     -0.005270
      8.64177      3.56603      9.96613         0.000489      0.000545     -0.001532
      7.40974      5.70485      9.97079        -0.000199     -0.001048      0.001404
      6.17652      7.84407      9.97159         0.000349      0.000270      0.000347
      4.94105      9.98351      9.95942        -0.000458      0.001133     -0.002655
 -----------------------------------------------------------------------------------
    total drift:                               -0.001814      0.000307     -0.033123


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


 Conjugate gradient step on ions:
 trial-energy change:   -0.000021  1 .order   -0.000016   -0.000029   -0.000003
  (g-gl).g = 0.144E-03      g.g   = 0.131E-03  gl.gl    = 0.177E-03
 g(Force)  = 0.117E-03   g(Stress)= 0.145E-04 ortho     =-0.247E-04
 gamma     =   0.81687
 trial     =   0.26044
 opt step  =   0.28570  (harmonic =   0.28570) maximal distance =0.00087417
 next E    =  -471.644881   (d E  =  -0.00002)


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


    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  181.24: CPU time   90.73
     LOOP+:  VPU time 5544.17: CPU time 2857.95


----------------------------------------- Iteration   22(   1)  ---------------------------------------


    POTLOK:  VPU time    9.14: CPU time    9.08
    SETDIJ:  VPU time    0.35: CPU time    0.34
    EDDAV :  VPU time 1503.69: CPU time  775.13
 BZINTS: Fermi energy: -3.080911;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  114.42: CPU time   57.80
    MIXING:  VPU time    0.16: CPU time    0.16
    ------------------------------------------
      LOOP:  VPU time 1627.84: CPU time  842.55

 eigenvalue-minimisations  :  4512
 total energy-change (2. order) :-0.4716449E+03  (-0.6293755E-05)
 number of electron  212.0000030 magnetization    0.0000000
 augmentation part     7.9609374 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.45068E-03    rms(broyden)= 0.45063E-03
  rms(prec ) = 0.47374E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34048.33830460
  -1/2 Hartree   DENC   =    -40948.35708372
  -V(xc)+E(xc)   XCENC  =       726.61769465
  PAW double counting   =      4093.00664510    -4131.38221677
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.30808433
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64488687 eV

  energy without entropy =     -471.64488687  energy(sigma->0) =     -471.64488687


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




----------------------------------------- Iteration   22(   2)  ---------------------------------------


    POTLOK:  VPU time    9.07: CPU time    9.07
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1366.86: CPU time  708.85
 BZINTS: Fermi energy: -3.080877;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1376.33: CPU time  718.31

 eigenvalue-minimisations  :  3968
 total energy-change (2. order) :-0.6425671E-06  (-0.5028393E-06)
 number of electron  212.0000030 magnetization    0.0000000
 augmentation part     7.9609374 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34048.33830460
  -1/2 Hartree   DENC   =    -40948.35015674
  -V(xc)+E(xc)   XCENC  =       726.61759675
  PAW double counting   =      4093.00401538    -4131.37938679
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.31511432
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64488752 eV

  energy without entropy =     -471.64488752  energy(sigma->0) =     -471.64488752


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




 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 -58.5347       2 -39.9762       3 -39.9762       4 -58.2445       5 -58.2490
       6 -58.2563       7 -58.2471       8 -58.2452       9 -58.2452      10 -58.2611
      11 -58.3161      12 -58.2928      13 -58.2502      14 -58.2471      15 -58.2581
      16 -58.4381      17 -58.7316      18 -58.2928      19 -58.2563      20 -58.2506
      21 -58.2778      22 -58.4381      23 -58.3161      24 -58.2490      25 -58.2439
      26 -58.2506      27 -58.2581      28 -58.2612      29 -58.2489      30 -58.2610
      31 -58.2579      32 -58.2505      33 -58.2438      34 -58.2562      35 -58.3160
      36 -58.4380      37 -58.2777      38 -58.2505      39 -58.2470      40 -58.2927
      41 -58.7315      42 -58.4381      43 -58.2580      44 -58.2451      45 -58.2500
      46 -58.2927      47 -58.3160      48 -58.2610      49 -58.2444      50 -58.2451
      51 -58.2470      52 -58.2562      53 -58.2489
 
 
 
 E-fermi :  -3.0809     XC(G=0):  -2.3480     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     -22.3575      1.00000
      2     -21.5376      1.00000
      3     -21.4081      1.00000
      4     -21.4071      1.00000
      5     -21.3758      1.00000
      6     -21.3667      1.00000
      7     -21.3595      1.00000
      8     -19.6468      1.00000
      9     -19.5732      1.00000
     10     -19.5661      1.00000
     11     -19.5593      1.00000
     12     -19.5411      1.00000
     13     -19.5384      1.00000
     14     -18.7287      1.00000
     15     -18.6804      1.00000
     16     -18.6730      1.00000
     17     -18.6595      1.00000
     18     -18.6440      1.00000
     19     -18.6423      1.00000
     20     -16.5862      1.00000
     21     -16.5271      1.00000
     22     -16.5246      1.00000
     23     -16.5117      1.00000
     24     -16.4873      1.00000
     25     -16.4857      1.00000
     26     -15.5591      1.00000
     27     -15.5270      1.00000
     28     -15.5263      1.00000
     29     -15.5007      1.00000
     30     -15.4956      1.00000
     31     -15.4897      1.00000
     32     -14.2065      1.00000
     33     -14.1810      1.00000
     34     -14.1681      1.00000
     35     -14.1658      1.00000
     36     -14.1604      1.00000
     37     -14.1493      1.00000
     38     -11.8829      1.00000
     39     -11.8082      1.00000
     40     -11.7927      1.00000
     41     -11.7924      1.00000
     42     -11.7891      1.00000
     43     -11.7834      1.00000
     44     -11.7055      1.00000
     45     -11.6986      1.00000
     46     -11.6733      1.00000
     47     -11.6587      1.00000
     48     -11.6583      1.00000
     49     -11.6512      1.00000
     50     -10.6727      1.00000
     51     -10.3295      1.00000
     52     -10.3216      1.00000
     53     -10.3062      1.00000
     54     -10.3047      1.00000
     55     -10.2916      1.00000
     56     -10.2787      1.00000
     57      -9.9260      1.00000
     58      -9.3735      1.00000
     59      -9.3600      1.00000
     60      -9.3010      1.00000
     61      -9.2927      1.00000
     62      -9.2860      1.00000
     63      -9.0922      1.00000
     64      -9.0550      1.00000
     65      -9.0498      1.00000
     66      -9.0272      1.00000
     67      -9.0071      1.00000
     68      -9.0023      1.00000
     69      -9.0009      1.00000
     70      -8.9960      1.00000
     71      -8.9921      1.00000
     72      -8.9727      1.00000
     73      -8.9654      1.00000
     74      -8.9543      1.00000
     75      -8.4924      1.00000
     76      -7.5143      1.00000
     77      -7.4103      1.00000
     78      -7.4101      1.00000
     79      -7.3996      1.00000
     80      -7.3841      1.00000
     81      -7.3642      1.00000
     82      -7.3419      1.00000
     83      -7.3108      1.00000
     84      -7.2689      1.00000
     85      -7.2073      1.00000
     86      -7.1807      1.00000
     87      -7.1805      1.00000
     88      -7.0759      1.00000
     89      -6.5081      1.00000
     90      -6.4615      1.00000
     91      -6.3558      1.00000
     92      -6.2943      1.00000
     93      -6.2883      1.00000
     94      -6.2871      1.00000
     95      -5.8971      1.00000
     96      -5.8853      1.00000
     97      -5.0432      1.00000
     98      -4.9363      1.00000
     99      -4.5384      1.00000
    100      -4.3412      1.00000
    101      -4.3183      1.00000
    102      -4.3175      1.00000
    103      -4.1153      1.00000
    104      -3.9113      1.00000
    105      -3.9010      1.00000
    106      -3.8295      1.00000
    107      -1.6821      0.00000
    108      -1.6673      0.00000
    109      -1.5372      0.00000
    110      -1.5357      0.00000
    111      -1.5231      0.00000
    112      -1.5094      0.00000
    113      -0.5879      0.00000
    114       0.1340      0.00000
    115       0.2071      0.00000
    116       0.3247      0.00000
    117       0.3263      0.00000
    118       0.3337      0.00000
    119       0.4945      0.00000
    120       0.5939      0.00000
    121       1.2582      0.00000
    122       1.2690      0.00000
    123       1.5227      0.00000
    124       1.7892      0.00000
    125       1.8025      0.00000
    126       1.8057      0.00000
    127       1.8104      0.00000
    128       1.9457      0.00000
    129       1.9779      0.00000
    130       2.0319      0.00000
    131       2.0455      0.00000
    132       2.0506      0.00000
    133       2.0551      0.00000
    134       2.0580      0.00000
    135       2.3038      0.00000
    136       2.3227      0.00000
    137       2.6094      0.00000
    138       2.6169      0.00000
    139       2.6447      0.00000
    140       2.7135      0.00000
    141       2.8600      0.00000
    142       3.0224      0.00000
    143       3.0511      0.00000
    144       3.0816      0.00000
    145       3.0863      0.00000
    146       3.0887      0.00000
    147       3.0941      0.00000
    148       3.2261      0.00000
    149       3.4425      0.00000
    150       3.5362      0.00000
    151       3.7862      0.00000
    152       3.9414      0.00000
    153       3.9417      0.00000
    154       3.9460      0.00000
    155       3.9528      0.00000
    156       3.9961      0.00000
    157       4.1754      0.00000
    158       4.2630      0.00000
    159       4.2854      0.00000
    160       4.2859      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3209      1.00000
      2     -21.7623      1.00000
      3     -21.5716      1.00000
      4     -21.5388      1.00000
      5     -21.2087      1.00000
      6     -21.1638      1.00000
      7     -20.9881      1.00000
      8     -20.1026      1.00000
      9     -20.0585      1.00000
     10     -19.5470      1.00000
     11     -19.5225      1.00000
     12     -19.3500      1.00000
     13     -19.0254      1.00000
     14     -18.9903      1.00000
     15     -18.9823      1.00000
     16     -18.9700      1.00000
     17     -18.2981      1.00000
     18     -18.2788      1.00000
     19     -17.9528      1.00000
     20     -17.0102      1.00000
     21     -16.9603      1.00000
     22     -16.8793      1.00000
     23     -16.8692      1.00000
     24     -16.4053      1.00000
     25     -16.3905      1.00000
     26     -15.5525      1.00000
     27     -15.5366      1.00000
     28     -15.1982      1.00000
     29     -15.1699      1.00000
     30     -15.1155      1.00000
     31     -15.0283      1.00000
     32     -15.0036      1.00000
     33     -14.6367      1.00000
     34     -14.6251      1.00000
     35     -13.6677      1.00000
     36     -13.6526      1.00000
     37     -13.1702      1.00000
     38     -12.5512      1.00000
     39     -12.5182      1.00000
     40     -12.3917      1.00000
     41     -12.3788      1.00000
     42     -12.0574      1.00000
     43     -12.0348      1.00000
     44     -11.6596      1.00000
     45     -11.6176      1.00000
     46     -11.1805      1.00000
     47     -11.1571      1.00000
     48     -10.9651      1.00000
     49     -10.9414      1.00000
     50     -10.8739      1.00000
     51     -10.8378      1.00000
     52     -10.6026      1.00000
     53     -10.0935      1.00000
     54     -10.0893      1.00000
     55     -10.0462      1.00000
     56      -9.9707      1.00000
     57      -9.6545      1.00000
     58      -9.6298      1.00000
     59      -9.5927      1.00000
     60      -9.5299      1.00000
     61      -9.5111      1.00000
     62      -9.4798      1.00000
     63      -9.2643      1.00000
     64      -9.2418      1.00000
     65      -9.2216      1.00000
     66      -9.1666      1.00000
     67      -9.0691      1.00000
     68      -9.0477      1.00000
     69      -9.0413      1.00000
     70      -8.8833      1.00000
     71      -8.8065      1.00000
     72      -8.5762      1.00000
     73      -8.5225      1.00000
     74      -8.4573      1.00000
     75      -8.0355      1.00000
     76      -7.8112      1.00000
     77      -7.8074      1.00000
     78      -7.7927      1.00000
     79      -7.7007      1.00000
     80      -7.6912      1.00000
     81      -7.3641      1.00000
     82      -7.2739      1.00000
     83      -7.2646      1.00000
     84      -7.2163      1.00000
     85      -7.1734      1.00000
     86      -7.0093      1.00000
     87      -6.9475      1.00000
     88      -6.7465      1.00000
     89      -6.6727      1.00000
     90      -6.5950      1.00000
     91      -6.5600      1.00000
     92      -6.0506      1.00000
     93      -6.0470      1.00000
     94      -6.0219      1.00000
     95      -5.9593      1.00000
     96      -5.7371      1.00000
     97      -5.1531      1.00000
     98      -4.9891      1.00000
     99      -4.7188      1.00000
    100      -4.6113      1.00000
    101      -4.4391      1.00000
    102      -4.3732      1.00000
    103      -4.1213      1.00000
    104      -3.8674      1.00000
    105      -3.8299      1.00000
    106      -3.7903      1.00000
    107      -1.7850      0.00000
    108      -1.7390      0.00000
    109      -1.3952      0.00000
    110      -1.3462      0.00000
    111      -1.2647      0.00000
    112      -1.2262      0.00000
    113      -0.7462      0.00000
    114      -0.3802      0.00000
    115      -0.2202      0.00000
    116      -0.0198      0.00000
    117       0.5884      0.00000
    118       0.7365      0.00000
    119       0.7646      0.00000
    120       1.0500      0.00000
    121       1.1415      0.00000
    122       1.2498      0.00000
    123       1.2684      0.00000
    124       1.4117      0.00000
    125       1.4777      0.00000
    126       1.5816      0.00000
    127       1.7536      0.00000
    128       1.8388      0.00000
    129       1.8955      0.00000
    130       1.9579      0.00000
    131       2.1013      0.00000
    132       2.2325      0.00000
    133       2.2477      0.00000
    134       2.2933      0.00000
    135       2.4881      0.00000
    136       2.6082      0.00000
    137       2.6315      0.00000
    138       2.7652      0.00000
    139       2.7885      0.00000
    140       2.8533      0.00000
    141       2.8639      0.00000
    142       2.8916      0.00000
    143       2.9544      0.00000
    144       3.0792      0.00000
    145       3.2784      0.00000
    146       3.2997      0.00000
    147       3.3701      0.00000
    148       3.4011      0.00000
    149       3.4625      0.00000
    150       3.5794      0.00000
    151       3.6298      0.00000
    152       3.6669      0.00000
    153       3.7046      0.00000
    154       3.9022      0.00000
    155       3.9364      0.00000
    156       3.9792      0.00000
    157       4.0787      0.00000
    158       4.1981      0.00000
    159       4.2406      0.00000
    160       4.2931      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2153      1.00000
      2     -22.0089      1.00000
      3     -21.6502      1.00000
      4     -21.6132      1.00000
      5     -20.9139      1.00000
      6     -20.8676      1.00000
      7     -20.5466      1.00000
      8     -20.5073      1.00000
      9     -20.4969      1.00000
     10     -19.9645      1.00000
     11     -19.4432      1.00000
     12     -19.4162      1.00000
     13     -19.2424      1.00000
     14     -19.2280      1.00000
     15     -18.3849      1.00000
     16     -18.3408      1.00000
     17     -17.8607      1.00000
     18     -17.8397      1.00000
     19     -17.6987      1.00000
     20     -17.6561      1.00000
     21     -17.3728      1.00000
     22     -17.3567      1.00000
     23     -17.2751      1.00000
     24     -16.4017      1.00000
     25     -16.3871      1.00000
     26     -15.8974      1.00000
     27     -15.3531      1.00000
     28     -15.3379      1.00000
     29     -15.0353      1.00000
     30     -15.0216      1.00000
     31     -14.8001      1.00000
     32     -14.7755      1.00000
     33     -14.2225      1.00000
     34     -14.1906      1.00000
     35     -13.3714      1.00000
     36     -13.3379      1.00000
     37     -13.1203      1.00000
     38     -13.1030      1.00000
     39     -12.9172      1.00000
     40     -12.9038      1.00000
     41     -12.5571      1.00000
     42     -12.5393      1.00000
     43     -12.1337      1.00000
     44     -11.5222      1.00000
     45     -11.4745      1.00000
     46     -11.2540      1.00000
     47     -11.2204      1.00000
     48     -11.0799      1.00000
     49     -10.6581      1.00000
     50     -10.5890      1.00000
     51     -10.5237      1.00000
     52     -10.2586      1.00000
     53     -10.2497      1.00000
     54     -10.1231      1.00000
     55     -10.0493      1.00000
     56     -10.0414      1.00000
     57      -9.7696      1.00000
     58      -9.7060      1.00000
     59      -9.6806      1.00000
     60      -9.6310      1.00000
     61      -9.6272      1.00000
     62      -9.5888      1.00000
     63      -9.2949      1.00000
     64      -9.2858      1.00000
     65      -9.2536      1.00000
     66      -9.0860      1.00000
     67      -8.8977      1.00000
     68      -8.8839      1.00000
     69      -8.7255      1.00000
     70      -8.5885      1.00000
     71      -8.5144      1.00000
     72      -8.3314      1.00000
     73      -8.3033      1.00000
     74      -8.2650      1.00000
     75      -8.2335      1.00000
     76      -8.1954      1.00000
     77      -8.1863      1.00000
     78      -8.1712      1.00000
     79      -8.0988      1.00000
     80      -7.6890      1.00000
     81      -7.3566      1.00000
     82      -7.3105      1.00000
     83      -7.2653      1.00000
     84      -7.1872      1.00000
     85      -7.1257      1.00000
     86      -7.0774      1.00000
     87      -6.9075      1.00000
     88      -6.8831      1.00000
     89      -6.5495      1.00000
     90      -6.4929      1.00000
     91      -6.2098      1.00000
     92      -6.0697      1.00000
     93      -5.9418      1.00000
     94      -5.7143      1.00000
     95      -5.6335      1.00000
     96      -5.4529      1.00000
     97      -5.3049      1.00000
     98      -5.2348      1.00000
     99      -5.1527      1.00000
    100      -5.1520      1.00000
    101      -4.5199      1.00000
    102      -4.4695      1.00000
    103      -4.1412      1.00000
    104      -3.8331      1.00000
    105      -3.7565      1.00000
    106      -3.6801      1.00000
    107      -1.8707      0.00000
    108      -1.8245      0.00000
    109      -1.2781      0.00000
    110      -1.0360      0.00000
    111      -1.0121      0.00000
    112      -0.7130      0.00000
    113      -0.6399      0.00000
    114      -0.5883      0.00000
    115      -0.5462      0.00000
    116      -0.2048      0.00000
    117       0.2525      0.00000
    118       0.2786      0.00000
    119       0.7581      0.00000
    120       0.9430      0.00000
    121       1.1326      0.00000
    122       1.2264      0.00000
    123       1.3184      0.00000
    124       1.4095      0.00000
    125       1.5995      0.00000
    126       1.6335      0.00000
    127       1.6990      0.00000
    128       1.8217      0.00000
    129       1.9161      0.00000
    130       2.0101      0.00000
    131       2.0991      0.00000
    132       2.3214      0.00000
    133       2.3956      0.00000
    134       2.4303      0.00000
    135       2.5366      0.00000
    136       2.6331      0.00000
    137       2.7502      0.00000
    138       2.8116      0.00000
    139       2.8309      0.00000
    140       2.8854      0.00000
    141       3.0398      0.00000
    142       3.0887      0.00000
    143       3.1836      0.00000
    144       3.2348      0.00000
    145       3.3818      0.00000
    146       3.4207      0.00000
    147       3.4791      0.00000
    148       3.5713      0.00000
    149       3.5983      0.00000
    150       3.6265      0.00000
    151       3.6492      0.00000
    152       3.7392      0.00000
    153       3.7663      0.00000
    154       3.7823      0.00000
    155       3.8000      0.00000
    156       3.8907      0.00000
    157       3.9751      0.00000
    158       4.0032      0.00000
    159       4.1733      0.00000
    160       4.2322      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2490      1.00000
      2     -21.8946      1.00000
      3     -21.8241      1.00000
      4     -21.3126      1.00000
      5     -21.2824      1.00000
      6     -20.7714      1.00000
      7     -20.7056      1.00000
      8     -20.5571      1.00000
      9     -20.0096      1.00000
     10     -20.0023      1.00000
     11     -19.6487      1.00000
     12     -19.6244      1.00000
     13     -18.9301      1.00000
     14     -18.9218      1.00000
     15     -18.5712      1.00000
     16     -18.5572      1.00000
     17     -18.3947      1.00000
     18     -17.6154      1.00000
     19     -17.5594      1.00000
     20     -17.5544      1.00000
     21     -17.5128      1.00000
     22     -17.0564      1.00000
     23     -17.0386      1.00000
     24     -16.8917      1.00000
     25     -15.9299      1.00000
     26     -15.8681      1.00000
     27     -15.5171      1.00000
     28     -15.5162      1.00000
     29     -15.2290      1.00000
     30     -14.7950      1.00000
     31     -14.7677      1.00000
     32     -14.5157      1.00000
     33     -14.4718      1.00000
     34     -14.1021      1.00000
     35     -14.0911      1.00000
     36     -13.0765      1.00000
     37     -13.0336      1.00000
     38     -12.9673      1.00000
     39     -12.9552      1.00000
     40     -12.6456      1.00000
     41     -12.6392      1.00000
     42     -12.2746      1.00000
     43     -12.2433      1.00000
     44     -11.5872      1.00000
     45     -11.5608      1.00000
     46     -11.5070      1.00000
     47     -10.9041      1.00000
     48     -10.8514      1.00000
     49     -10.6204      1.00000
     50     -10.5594      1.00000
     51     -10.4856      1.00000
     52     -10.4339      1.00000
     53     -10.4244      1.00000
     54     -10.3712      1.00000
     55     -10.2944      1.00000
     56     -10.0653      1.00000
     57      -9.8341      1.00000
     58      -9.5485      1.00000
     59      -9.4891      1.00000
     60      -9.4694      1.00000
     61      -9.3467      1.00000
     62      -9.3312      1.00000
     63      -9.3108      1.00000
     64      -9.3090      1.00000
     65      -9.2149      1.00000
     66      -9.1119      1.00000
     67      -9.0808      1.00000
     68      -9.0500      1.00000
     69      -8.8469      1.00000
     70      -8.7932      1.00000
     71      -8.7743      1.00000
     72      -8.5279      1.00000
     73      -8.4754      1.00000
     74      -8.2206      1.00000
     75      -8.1101      1.00000
     76      -8.0995      1.00000
     77      -7.8074      1.00000
     78      -7.7844      1.00000
     79      -7.7817      1.00000
     80      -7.6734      1.00000
     81      -7.6317      1.00000
     82      -7.6305      1.00000
     83      -7.4017      1.00000
     84      -7.3254      1.00000
     85      -7.2007      1.00000
     86      -6.8397      1.00000
     87      -6.8292      1.00000
     88      -6.6613      1.00000
     89      -6.5391      1.00000
     90      -6.3445      1.00000
     91      -6.3076      1.00000
     92      -6.1845      1.00000
     93      -6.1475      1.00000
     94      -5.9782      1.00000
     95      -5.5725      1.00000
     96      -5.4267      1.00000
     97      -5.2594      1.00000
     98      -5.2474      1.00000
     99      -5.1495      1.00000
    100      -4.6955      1.00000
    101      -4.6652      1.00000
    102      -4.3487      1.00000
    103      -4.3132      1.00000
    104      -3.9629      1.00000
    105      -3.8259      1.00000
    106      -3.3901      1.00000
    107      -2.2203      0.00000
    108      -1.3766      0.00000
    109      -1.2873      0.00000
    110      -1.1735      0.00000
    111      -1.0783      0.00000
    112      -0.8939      0.00000
    113      -0.7683      0.00000
    114      -0.7576      0.00000
    115      -0.2210      0.00000
    116       0.1135      0.00000
    117       0.2638      0.00000
    118       0.3460      0.00000
    119       0.7322      0.00000
    120       0.9049      0.00000
    121       0.9717      0.00000
    122       1.0923      0.00000
    123       1.2037      0.00000
    124       1.5289      0.00000
    125       1.5617      0.00000
    126       1.7103      0.00000
    127       1.8376      0.00000
    128       1.8619      0.00000
    129       1.9641      0.00000
    130       1.9955      0.00000
    131       2.1553      0.00000
    132       2.2656      0.00000
    133       2.4534      0.00000
    134       2.4575      0.00000
    135       2.5039      0.00000
    136       2.6660      0.00000
    137       2.6853      0.00000
    138       2.7305      0.00000
    139       2.7416      0.00000
    140       2.8883      0.00000
    141       3.0207      0.00000
    142       3.0802      0.00000
    143       3.1922      0.00000
    144       3.2474      0.00000
    145       3.2516      0.00000
    146       3.2639      0.00000
    147       3.3545      0.00000
    148       3.4768      0.00000
    149       3.5269      0.00000
    150       3.6960      0.00000
    151       3.7478      0.00000
    152       3.7707      0.00000
    153       3.8323      0.00000
    154       3.8743      0.00000
    155       3.9408      0.00000
    156       3.9838      0.00000
    157       4.0210      0.00000
    158       4.0380      0.00000
    159       4.0503      0.00000
    160       4.0857      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1430      1.00000
      2     -22.0478      1.00000
      3     -21.8877      1.00000
      4     -21.3356      1.00000
      5     -20.9827      1.00000
      6     -20.9443      1.00000
      7     -20.4342      1.00000
      8     -20.3917      1.00000
      9     -20.2275      1.00000
     10     -20.2062      1.00000
     11     -19.8900      1.00000
     12     -19.8223      1.00000
     13     -18.8156      1.00000
     14     -18.7445      1.00000
     15     -18.2906      1.00000
     16     -18.2374      1.00000
     17     -18.0866      1.00000
     18     -18.0665      1.00000
     19     -17.7622      1.00000
     20     -17.7200      1.00000
     21     -17.1895      1.00000
     22     -17.1705      1.00000
     23     -17.1003      1.00000
     24     -17.0645      1.00000
     25     -16.0389      1.00000
     26     -15.8236      1.00000
     27     -15.8005      1.00000
     28     -15.7652      1.00000
     29     -15.1743      1.00000
     30     -14.4916      1.00000
     31     -14.4591      1.00000
     32     -14.2184      1.00000
     33     -13.8958      1.00000
     34     -13.8907      1.00000
     35     -13.7565      1.00000
     36     -13.7363      1.00000
     37     -13.5521      1.00000
     38     -13.5037      1.00000
     39     -13.3010      1.00000
     40     -12.5653      1.00000
     41     -12.1253      1.00000
     42     -12.0666      1.00000
     43     -12.0107      1.00000
     44     -11.9522      1.00000
     45     -11.6113      1.00000
     46     -11.5886      1.00000
     47     -11.0850      1.00000
     48     -11.0524      1.00000
     49     -10.7527      1.00000
     50     -10.6644      1.00000
     51     -10.5257      1.00000
     52     -10.1492      1.00000
     53     -10.1391      1.00000
     54     -10.0971      1.00000
     55      -9.9536      1.00000
     56      -9.9482      1.00000
     57      -9.9181      1.00000
     58      -9.7379      1.00000
     59      -9.7320      1.00000
     60      -9.7010      1.00000
     61      -9.6911      1.00000
     62      -9.4284      1.00000
     63      -9.3637      1.00000
     64      -9.0852      1.00000
     65      -9.0072      1.00000
     66      -8.9751      1.00000
     67      -8.8884      1.00000
     68      -8.8122      1.00000
     69      -8.6582      1.00000
     70      -8.6356      1.00000
     71      -8.5771      1.00000
     72      -8.4786      1.00000
     73      -8.4678      1.00000
     74      -8.3985      1.00000
     75      -8.3948      1.00000
     76      -8.1848      1.00000
     77      -8.1136      1.00000
     78      -7.9782      1.00000
     79      -7.9147      1.00000
     80      -7.8474      1.00000
     81      -7.6173      1.00000
     82      -7.5308      1.00000
     83      -7.4692      1.00000
     84      -7.2574      1.00000
     85      -6.9346      1.00000
     86      -6.8581      1.00000
     87      -6.8116      1.00000
     88      -6.5736      1.00000
     89      -6.4670      1.00000
     90      -6.4206      1.00000
     91      -6.3573      1.00000
     92      -6.0518      1.00000
     93      -5.8777      1.00000
     94      -5.7534      1.00000
     95      -5.7223      1.00000
     96      -5.4766      1.00000
     97      -5.3461      1.00000
     98      -5.1807      1.00000
     99      -5.1567      1.00000
    100      -5.1550      1.00000
    101      -4.7068      1.00000
    102      -4.4398      1.00000
    103      -4.2534      1.00000
    104      -3.9941      1.00000
    105      -3.8248      1.00000
    106      -3.1566      1.00000
    107      -2.4633      0.00000
    108      -1.3795      0.00000
    109      -1.2410      0.00000
    110      -1.1465      0.00000
    111      -1.1148      0.00000
    112      -0.5648      0.00000
    113      -0.4347      0.00000
    114      -0.4302      0.00000
    115      -0.3101      0.00000
    116      -0.1907      0.00000
    117       0.0617      0.00000
    118       0.1162      0.00000
    119       0.5404      0.00000
    120       0.6838      0.00000
    121       0.8693      0.00000
    122       0.9652      0.00000
    123       1.1081      0.00000
    124       1.4933      0.00000
    125       1.6595      0.00000
    126       1.8002      0.00000
    127       1.8721      0.00000
    128       2.0908      0.00000
    129       2.1314      0.00000
    130       2.1919      0.00000
    131       2.2133      0.00000
    132       2.3400      0.00000
    133       2.3558      0.00000
    134       2.4851      0.00000
    135       2.5763      0.00000
    136       2.6673      0.00000
    137       2.8789      0.00000
    138       2.9372      0.00000
    139       2.9637      0.00000
    140       2.9896      0.00000
    141       3.0359      0.00000
    142       3.1489      0.00000
    143       3.1768      0.00000
    144       3.2401      0.00000
    145       3.2887      0.00000
    146       3.3317      0.00000
    147       3.3492      0.00000
    148       3.3788      0.00000
    149       3.4041      0.00000
    150       3.4941      0.00000
    151       3.5460      0.00000
    152       3.6253      0.00000
    153       3.6887      0.00000
    154       3.7063      0.00000
    155       3.7202      0.00000
    156       3.9189      0.00000
    157       3.9336      0.00000
    158       4.0535      0.00000
    159       4.0860      0.00000
    160       4.1971      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2488      1.00000
      2     -21.8962      1.00000
      3     -21.8225      1.00000
      4     -21.3172      1.00000
      5     -21.2785      1.00000
      6     -20.7724      1.00000
      7     -20.7035      1.00000
      8     -20.5555      1.00000
      9     -20.0237      1.00000
     10     -19.9914      1.00000
     11     -19.6511      1.00000
     12     -19.6201      1.00000
     13     -18.9441      1.00000
     14     -18.9095      1.00000
     15     -18.5848      1.00000
     16     -18.5475      1.00000
     17     -18.3928      1.00000
     18     -17.6025      1.00000
     19     -17.5712      1.00000
     20     -17.5419      1.00000
     21     -17.5091      1.00000
     22     -17.0750      1.00000
     23     -17.0282      1.00000
     24     -16.9007      1.00000
     25     -15.9460      1.00000
     26     -15.8520      1.00000
     27     -15.5339      1.00000
     28     -15.5074      1.00000
     29     -15.2098      1.00000
     30     -14.8143      1.00000
     31     -14.7621      1.00000
     32     -14.5100      1.00000
     33     -14.4683      1.00000
     34     -14.0969      1.00000
     35     -14.0937      1.00000
     36     -13.1049      1.00000
     37     -13.0304      1.00000
     38     -12.9571      1.00000
     39     -12.9500      1.00000
     40     -12.6560      1.00000
     41     -12.6278      1.00000
     42     -12.2749      1.00000
     43     -12.2478      1.00000
     44     -11.5733      1.00000
     45     -11.5539      1.00000
     46     -11.5013      1.00000
     47     -10.8781      1.00000
     48     -10.8691      1.00000
     49     -10.6804      1.00000
     50     -10.5254      1.00000
     51     -10.5208      1.00000
     52     -10.4341      1.00000
     53     -10.4168      1.00000
     54     -10.3706      1.00000
     55     -10.2885      1.00000
     56     -10.0610      1.00000
     57      -9.8328      1.00000
     58      -9.5588      1.00000
     59      -9.4849      1.00000
     60      -9.4439      1.00000
     61      -9.3562      1.00000
     62      -9.3396      1.00000
     63      -9.3082      1.00000
     64      -9.3032      1.00000
     65      -9.2068      1.00000
     66      -9.0997      1.00000
     67      -9.0688      1.00000
     68      -9.0495      1.00000
     69      -8.8497      1.00000
     70      -8.7973      1.00000
     71      -8.7782      1.00000
     72      -8.5275      1.00000
     73      -8.4966      1.00000
     74      -8.2253      1.00000
     75      -8.1298      1.00000
     76      -8.0931      1.00000
     77      -7.8067      1.00000
     78      -7.7677      1.00000
     79      -7.7406      1.00000
     80      -7.7026      1.00000
     81      -7.6355      1.00000
     82      -7.6250      1.00000
     83      -7.3884      1.00000
     84      -7.3447      1.00000
     85      -7.2201      1.00000
     86      -6.8436      1.00000
     87      -6.8210      1.00000
     88      -6.6394      1.00000
     89      -6.5299      1.00000
     90      -6.3415      1.00000
     91      -6.2734      1.00000
     92      -6.1956      1.00000
     93      -6.1322      1.00000
     94      -6.0210      1.00000
     95      -5.6356      1.00000
     96      -5.5089      1.00000
     97      -5.2980      1.00000
     98      -5.1564      1.00000
     99      -5.0403      1.00000
    100      -4.7253      1.00000
    101      -4.6857      1.00000
    102      -4.3675      1.00000
    103      -4.1834      1.00000
    104      -4.0071      1.00000
    105      -3.8242      1.00000
    106      -3.4844      1.00000
    107      -2.1648      0.00000
    108      -1.3839      0.00000
    109      -1.2354      0.00000
    110      -1.1852      0.00000
    111      -1.0146      0.00000
    112      -0.9559      0.00000
    113      -0.7975      0.00000
    114      -0.7524      0.00000
    115      -0.3678      0.00000
    116       0.2456      0.00000
    117       0.2766      0.00000
    118       0.3638      0.00000
    119       0.6980      0.00000
    120       0.8685      0.00000
    121       0.9657      0.00000
    122       1.1236      0.00000
    123       1.2335      0.00000
    124       1.4537      0.00000
    125       1.5535      0.00000
    126       1.7805      0.00000
    127       1.8499      0.00000
    128       1.8809      0.00000
    129       1.9835      0.00000
    130       2.0267      0.00000
    131       2.1927      0.00000
    132       2.2094      0.00000
    133       2.4005      0.00000
    134       2.4453      0.00000
    135       2.5483      0.00000
    136       2.6580      0.00000
    137       2.6845      0.00000
    138       2.7273      0.00000
    139       2.7653      0.00000
    140       2.8493      0.00000
    141       2.9639      0.00000
    142       3.0774      0.00000
    143       3.1861      0.00000
    144       3.2342      0.00000
    145       3.2532      0.00000
    146       3.2898      0.00000
    147       3.3272      0.00000
    148       3.4764      0.00000
    149       3.5075      0.00000
    150       3.7067      0.00000
    151       3.7203      0.00000
    152       3.7706      0.00000
    153       3.8585      0.00000
    154       3.8711      0.00000
    155       3.8968      0.00000
    156       3.9947      0.00000
    157       3.9974      0.00000
    158       4.0439      0.00000
    159       4.0595      0.00000
    160       4.0848      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3208      1.00000
      2     -21.7626      1.00000
      3     -21.5689      1.00000
      4     -21.5416      1.00000
      5     -21.2061      1.00000
      6     -21.1671      1.00000
      7     -20.9867      1.00000
      8     -20.0996      1.00000
      9     -20.0607      1.00000
     10     -19.5472      1.00000
     11     -19.5272      1.00000
     12     -19.3457      1.00000
     13     -19.0288      1.00000
     14     -18.9890      1.00000
     15     -18.9786      1.00000
     16     -18.9728      1.00000
     17     -18.2967      1.00000
     18     -18.2833      1.00000
     19     -17.9469      1.00000
     20     -17.0011      1.00000
     21     -16.9601      1.00000
     22     -16.8832      1.00000
     23     -16.8704      1.00000
     24     -16.4167      1.00000
     25     -16.3941      1.00000
     26     -15.5417      1.00000
     27     -15.5385      1.00000
     28     -15.1735      1.00000
     29     -15.1720      1.00000
     30     -15.1316      1.00000
     31     -15.0369      1.00000
     32     -15.0017      1.00000
     33     -14.6341      1.00000
     34     -14.6273      1.00000
     35     -13.6633      1.00000
     36     -13.6537      1.00000
     37     -13.1714      1.00000
     38     -12.5730      1.00000
     39     -12.5137      1.00000
     40     -12.3865      1.00000
     41     -12.3858      1.00000
     42     -12.0357      1.00000
     43     -12.0317      1.00000
     44     -11.6558      1.00000
     45     -11.6155      1.00000
     46     -11.2059      1.00000
     47     -11.1577      1.00000
     48     -10.9554      1.00000
     49     -10.9428      1.00000
     50     -10.8612      1.00000
     51     -10.8290      1.00000
     52     -10.6244      1.00000
     53     -10.1461      1.00000
     54     -10.0849      1.00000
     55     -10.0253      1.00000
     56      -9.9465      1.00000
     57      -9.6315      1.00000
     58      -9.6299      1.00000
     59      -9.6038      1.00000
     60      -9.5411      1.00000
     61      -9.5036      1.00000
     62      -9.4800      1.00000
     63      -9.2724      1.00000
     64      -9.2358      1.00000
     65      -9.2080      1.00000
     66      -9.1802      1.00000
     67      -9.0632      1.00000
     68      -9.0474      1.00000
     69      -9.0438      1.00000
     70      -8.8776      1.00000
     71      -8.8094      1.00000
     72      -8.5340      1.00000
     73      -8.5334      1.00000
     74      -8.4978      1.00000
     75      -8.0312      1.00000
     76      -7.8321      1.00000
     77      -7.7996      1.00000
     78      -7.7751      1.00000
     79      -7.7034      1.00000
     80      -7.6848      1.00000
     81      -7.4145      1.00000
     82      -7.2872      1.00000
     83      -7.2520      1.00000
     84      -7.2040      1.00000
     85      -7.0817      1.00000
     86      -7.0760      1.00000
     87      -6.9387      1.00000
     88      -6.7114      1.00000
     89      -6.6747      1.00000
     90      -6.6299      1.00000
     91      -6.5579      1.00000
     92      -6.0715      1.00000
     93      -6.0317      1.00000
     94      -6.0014      1.00000
     95      -5.9383      1.00000
     96      -5.7998      1.00000
     97      -5.1793      1.00000
     98      -4.8937      1.00000
     99      -4.7939      1.00000
    100      -4.6111      1.00000
    101      -4.5122      1.00000
    102      -4.1397      1.00000
    103      -4.0905      1.00000
    104      -3.9306      1.00000
    105      -3.9155      1.00000
    106      -3.8236      1.00000
    107      -1.7522      0.00000
    108      -1.6963      0.00000
    109      -1.4109      0.00000
    110      -1.3705      0.00000
    111      -1.2647      0.00000
    112      -1.2364      0.00000
    113      -0.6257      0.00000
    114      -0.5985      0.00000
    115      -0.1899      0.00000
    116       0.0408      0.00000
    117       0.5823      0.00000
    118       0.7410      0.00000
    119       0.8493      0.00000
    120       0.9280      0.00000
    121       1.1674      0.00000
    122       1.2103      0.00000
    123       1.2448      0.00000
    124       1.4168      0.00000
    125       1.5965      0.00000
    126       1.6348      0.00000
    127       1.7033      0.00000
    128       1.8012      0.00000
    129       1.9217      0.00000
    130       1.9400      0.00000
    131       2.1431      0.00000
    132       2.1715      0.00000
    133       2.2596      0.00000
    134       2.2986      0.00000
    135       2.5404      0.00000
    136       2.5567      0.00000
    137       2.6293      0.00000
    138       2.7583      0.00000
    139       2.8007      0.00000
    140       2.8401      0.00000
    141       2.8933      0.00000
    142       2.9396      0.00000
    143       3.0104      0.00000
    144       3.0261      0.00000
    145       3.0849      0.00000
    146       3.3051      0.00000
    147       3.3624      0.00000
    148       3.4142      0.00000
    149       3.4733      0.00000
    150       3.5981      0.00000
    151       3.6550      0.00000
    152       3.6598      0.00000
    153       3.6773      0.00000
    154       3.8871      0.00000
    155       3.9721      0.00000
    156       4.0180      0.00000
    157       4.0713      0.00000
    158       4.2314      0.00000
    159       4.2543      0.00000
    160       4.2623      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1421      1.00000
      2     -22.0493      1.00000
      3     -21.8872      1.00000
      4     -21.3366      1.00000
      5     -20.9778      1.00000
      6     -20.9483      1.00000
      7     -20.4290      1.00000
      8     -20.3971      1.00000
      9     -20.2169      1.00000
     10     -20.2152      1.00000
     11     -19.8888      1.00000
     12     -19.8251      1.00000
     13     -18.8186      1.00000
     14     -18.7479      1.00000
     15     -18.2666      1.00000
     16     -18.2525      1.00000
     17     -18.0810      1.00000
     18     -18.0745      1.00000
     19     -17.7467      1.00000
     20     -17.7309      1.00000
     21     -17.1955      1.00000
     22     -17.1724      1.00000
     23     -17.0892      1.00000
     24     -17.0689      1.00000
     25     -16.0549      1.00000
     26     -15.8095      1.00000
     27     -15.7999      1.00000
     28     -15.7784      1.00000
     29     -15.1596      1.00000
     30     -14.4864      1.00000
     31     -14.4651      1.00000
     32     -14.2046      1.00000
     33     -13.9168      1.00000
     34     -13.8872      1.00000
     35     -13.7595      1.00000
     36     -13.7394      1.00000
     37     -13.5369      1.00000
     38     -13.5111      1.00000
     39     -13.3025      1.00000
     40     -12.5775      1.00000
     41     -12.1018      1.00000
     42     -12.0776      1.00000
     43     -11.9994      1.00000
     44     -11.9520      1.00000
     45     -11.6057      1.00000
     46     -11.5983      1.00000
     47     -11.0844      1.00000
     48     -11.0618      1.00000
     49     -10.7324      1.00000
     50     -10.6656      1.00000
     51     -10.5578      1.00000
     52     -10.1403      1.00000
     53     -10.1358      1.00000
     54     -10.1018      1.00000
     55      -9.9664      1.00000
     56      -9.9259      1.00000
     57      -9.9226      1.00000
     58      -9.7510      1.00000
     59      -9.7297      1.00000
     60      -9.6979      1.00000
     61      -9.6952      1.00000
     62      -9.4004      1.00000
     63      -9.3899      1.00000
     64      -9.0684      1.00000
     65      -8.9829      1.00000
     66      -8.9818      1.00000
     67      -8.9061      1.00000
     68      -8.8131      1.00000
     69      -8.6496      1.00000
     70      -8.6343      1.00000
     71      -8.5466      1.00000
     72      -8.5024      1.00000
     73      -8.4834      1.00000
     74      -8.3949      1.00000
     75      -8.3830      1.00000
     76      -8.2103      1.00000
     77      -8.1017      1.00000
     78      -8.0076      1.00000
     79      -7.9017      1.00000
     80      -7.8432      1.00000
     81      -7.6221      1.00000
     82      -7.5336      1.00000
     83      -7.4577      1.00000
     84      -7.2539      1.00000
     85      -6.9428      1.00000
     86      -6.8689      1.00000
     87      -6.8103      1.00000
     88      -6.4786      1.00000
     89      -6.4687      1.00000
     90      -6.4101      1.00000
     91      -6.3605      1.00000
     92      -6.1880      1.00000
     93      -5.8587      1.00000
     94      -5.7382      1.00000
     95      -5.7119      1.00000
     96      -5.5231      1.00000
     97      -5.3294      1.00000
     98      -5.1727      1.00000
     99      -5.1680      1.00000
    100      -5.1346      1.00000
    101      -4.6961      1.00000
    102      -4.3482      1.00000
    103      -4.2774      1.00000
    104      -4.0270      1.00000
    105      -3.8257      1.00000
    106      -3.2334      1.00000
    107      -2.4057      0.00000
    108      -1.3460      0.00000
    109      -1.2437      0.00000
    110      -1.1536      0.00000
    111      -1.1087      0.00000
    112      -0.5839      0.00000
    113      -0.5210      0.00000
    114      -0.4340      0.00000
    115      -0.2749      0.00000
    116      -0.0719      0.00000
    117      -0.0115      0.00000
    118       0.0598      0.00000
    119       0.5836      0.00000
    120       0.7103      0.00000
    121       0.8081      0.00000
    122       0.9403      0.00000
    123       1.1801      0.00000
    124       1.5074      0.00000
    125       1.6172      0.00000
    126       1.8559      0.00000
    127       2.0026      0.00000
    128       2.0492      0.00000
    129       2.1101      0.00000
    130       2.1411      0.00000
    131       2.2593      0.00000
    132       2.2849      0.00000
    133       2.3469      0.00000
    134       2.4568      0.00000
    135       2.6087      0.00000
    136       2.6989      0.00000
    137       2.8170      0.00000
    138       2.9148      0.00000
    139       2.9424      0.00000
    140       3.0085      0.00000
    141       3.0437      0.00000
    142       3.1557      0.00000
    143       3.1592      0.00000
    144       3.2210      0.00000
    145       3.2983      0.00000
    146       3.3088      0.00000
    147       3.3523      0.00000
    148       3.3719      0.00000
    149       3.4148      0.00000
    150       3.4384      0.00000
    151       3.5554      0.00000
    152       3.6055      0.00000
    153       3.6963      0.00000
    154       3.7198      0.00000
    155       3.8451      0.00000
    156       3.9007      0.00000
    157       3.9305      0.00000
    158       3.9574      0.00000
    159       4.1448      0.00000
    160       4.1797      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2148      1.00000
      2     -22.0096      1.00000
      3     -21.6476      1.00000
      4     -21.6162      1.00000
      5     -20.9111      1.00000
      6     -20.8703      1.00000
      7     -20.5404      1.00000
      8     -20.5078      1.00000
      9     -20.5009      1.00000
     10     -19.9634      1.00000
     11     -19.4419      1.00000
     12     -19.4201      1.00000
     13     -19.2412      1.00000
     14     -19.2340      1.00000
     15     -18.3771      1.00000
     16     -18.3420      1.00000
     17     -17.8597      1.00000
     18     -17.8438      1.00000
     19     -17.6923      1.00000
     20     -17.6562      1.00000
     21     -17.3731      1.00000
     22     -17.3589      1.00000
     23     -17.2679      1.00000
     24     -16.4143      1.00000
     25     -16.3909      1.00000
     26     -15.9058      1.00000
     27     -15.3445      1.00000
     28     -15.3397      1.00000
     29     -15.0320      1.00000
     30     -15.0224      1.00000
     31     -14.7770      1.00000
     32     -14.7748      1.00000
     33     -14.2381      1.00000
     34     -14.1877      1.00000
     35     -13.3880      1.00000
     36     -13.3340      1.00000
     37     -13.1118      1.00000
     38     -13.1039      1.00000
     39     -12.9189      1.00000
     40     -12.9133      1.00000
     41     -12.5460      1.00000
     42     -12.5384      1.00000
     43     -12.1339      1.00000
     44     -11.5147      1.00000
     45     -11.4703      1.00000
     46     -11.2457      1.00000
     47     -11.2141      1.00000
     48     -11.0865      1.00000
     49     -10.7038      1.00000
     50     -10.5962      1.00000
     51     -10.5096      1.00000
     52     -10.2522      1.00000
     53     -10.2482      1.00000
     54     -10.1223      1.00000
     55     -10.0548      1.00000
     56     -10.0397      1.00000
     57      -9.7846      1.00000
     58      -9.6877      1.00000
     59      -9.6747      1.00000
     60      -9.6382      1.00000
     61      -9.6286      1.00000
     62      -9.5869      1.00000
     63      -9.2960      1.00000
     64      -9.2841      1.00000
     65      -9.2539      1.00000
     66      -9.0635      1.00000
     67      -8.8954      1.00000
     68      -8.8844      1.00000
     69      -8.7195      1.00000
     70      -8.5805      1.00000
     71      -8.5269      1.00000
     72      -8.3512      1.00000
     73      -8.3054      1.00000
     74      -8.2443      1.00000
     75      -8.2385      1.00000
     76      -8.1951      1.00000
     77      -8.1820      1.00000
     78      -8.1703      1.00000
     79      -8.1056      1.00000
     80      -7.6900      1.00000
     81      -7.4189      1.00000
     82      -7.3432      1.00000
     83      -7.2594      1.00000
     84      -7.1690      1.00000
     85      -7.1111      1.00000
     86      -7.0051      1.00000
     87      -6.9047      1.00000
     88      -6.8485      1.00000
     89      -6.5424      1.00000
     90      -6.4987      1.00000
     91      -6.2103      1.00000
     92      -6.2020      1.00000
     93      -5.8953      1.00000
     94      -5.6738      1.00000
     95      -5.6072      1.00000
     96      -5.5812      1.00000
     97      -5.2538      1.00000
     98      -5.2318      1.00000
     99      -5.1654      1.00000
    100      -5.1351      1.00000
    101      -4.5989      1.00000
    102      -4.2475      1.00000
    103      -4.0436      1.00000
    104      -3.8850      1.00000
    105      -3.8387      1.00000
    106      -3.8001      1.00000
    107      -1.8082      0.00000
    108      -1.7811      0.00000
    109      -1.2262      0.00000
    110      -1.1752      0.00000
    111      -0.9741      0.00000
    112      -0.7349      0.00000
    113      -0.6497      0.00000
    114      -0.5939      0.00000
    115      -0.5500      0.00000
    116      -0.1551      0.00000
    117       0.1768      0.00000
    118       0.2877      0.00000
    119       0.7039      0.00000
    120       0.9461      0.00000
    121       1.1693      0.00000
    122       1.2777      0.00000
    123       1.3419      0.00000
    124       1.5093      0.00000
    125       1.6070      0.00000
    126       1.6269      0.00000
    127       1.6912      0.00000
    128       1.7726      0.00000
    129       1.8582      0.00000
    130       2.0713      0.00000
    131       2.1587      0.00000
    132       2.3157      0.00000
    133       2.3909      0.00000
    134       2.4216      0.00000
    135       2.5518      0.00000
    136       2.6230      0.00000
    137       2.6866      0.00000
    138       2.7396      0.00000
    139       2.8064      0.00000
    140       2.9058      0.00000
    141       3.0480      0.00000
    142       3.0602      0.00000
    143       3.1789      0.00000
    144       3.2783      0.00000
    145       3.3772      0.00000
    146       3.4091      0.00000
    147       3.4567      0.00000
    148       3.5452      0.00000
    149       3.5704      0.00000
    150       3.6323      0.00000
    151       3.6614      0.00000
    152       3.7013      0.00000
    153       3.7794      0.00000
    154       3.7888      0.00000
    155       3.8206      0.00000
    156       3.8899      0.00000
    157       3.9033      0.00000
    158       3.9726      0.00000
    159       4.1871      0.00000
    160       4.2272      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3575      1.00000
      2     -21.5376      1.00000
      3     -21.4081      1.00000
      4     -21.4071      1.00000
      5     -21.3758      1.00000
      6     -21.3667      1.00000
      7     -21.3595      1.00000
      8     -19.6468      1.00000
      9     -19.5732      1.00000
     10     -19.5661      1.00000
     11     -19.5593      1.00000
     12     -19.5411      1.00000
     13     -19.5384      1.00000
     14     -18.7287      1.00000
     15     -18.6804      1.00000
     16     -18.6730      1.00000
     17     -18.6595      1.00000
     18     -18.6440      1.00000
     19     -18.6423      1.00000
     20     -16.5862      1.00000
     21     -16.5271      1.00000
     22     -16.5246      1.00000
     23     -16.5117      1.00000
     24     -16.4873      1.00000
     25     -16.4857      1.00000
     26     -15.5591      1.00000
     27     -15.5270      1.00000
     28     -15.5263      1.00000
     29     -15.5007      1.00000
     30     -15.4956      1.00000
     31     -15.4897      1.00000
     32     -14.2065      1.00000
     33     -14.1810      1.00000
     34     -14.1681      1.00000
     35     -14.1658      1.00000
     36     -14.1604      1.00000
     37     -14.1493      1.00000
     38     -11.8829      1.00000
     39     -11.8082      1.00000
     40     -11.7927      1.00000
     41     -11.7924      1.00000
     42     -11.7891      1.00000
     43     -11.7834      1.00000
     44     -11.7055      1.00000
     45     -11.6986      1.00000
     46     -11.6733      1.00000
     47     -11.6587      1.00000
     48     -11.6583      1.00000
     49     -11.6512      1.00000
     50     -10.6727      1.00000
     51     -10.3295      1.00000
     52     -10.3216      1.00000
     53     -10.3062      1.00000
     54     -10.3047      1.00000
     55     -10.2916      1.00000
     56     -10.2787      1.00000
     57      -9.9260      1.00000
     58      -9.3735      1.00000
     59      -9.3600      1.00000
     60      -9.3010      1.00000
     61      -9.2927      1.00000
     62      -9.2860      1.00000
     63      -9.0922      1.00000
     64      -9.0550      1.00000
     65      -9.0498      1.00000
     66      -9.0272      1.00000
     67      -9.0071      1.00000
     68      -9.0023      1.00000
     69      -9.0009      1.00000
     70      -8.9960      1.00000
     71      -8.9921      1.00000
     72      -8.9727      1.00000
     73      -8.9654      1.00000
     74      -8.9543      1.00000
     75      -8.4924      1.00000
     76      -7.5143      1.00000
     77      -7.4103      1.00000
     78      -7.4101      1.00000
     79      -7.3996      1.00000
     80      -7.3841      1.00000
     81      -7.3642      1.00000
     82      -7.3419      1.00000
     83      -7.3108      1.00000
     84      -7.2689      1.00000
     85      -7.2073      1.00000
     86      -7.1807      1.00000
     87      -7.1805      1.00000
     88      -7.0759      1.00000
     89      -6.5081      1.00000
     90      -6.4615      1.00000
     91      -6.3558      1.00000
     92      -6.2943      1.00000
     93      -6.2883      1.00000
     94      -6.2871      1.00000
     95      -5.8971      1.00000
     96      -5.8853      1.00000
     97      -5.0432      1.00000
     98      -4.9363      1.00000
     99      -4.5384      1.00000
    100      -4.3412      1.00000
    101      -4.3183      1.00000
    102      -4.3175      1.00000
    103      -4.1153      1.00000
    104      -3.9113      1.00000
    105      -3.9010      1.00000
    106      -3.8295      1.00000
    107      -1.6821      0.00000
    108      -1.6673      0.00000
    109      -1.5372      0.00000
    110      -1.5357      0.00000
    111      -1.5231      0.00000
    112      -1.5094      0.00000
    113      -0.5879      0.00000
    114       0.1340      0.00000
    115       0.2071      0.00000
    116       0.3247      0.00000
    117       0.3263      0.00000
    118       0.3337      0.00000
    119       0.4945      0.00000
    120       0.5939      0.00000
    121       1.2582      0.00000
    122       1.2690      0.00000
    123       1.5227      0.00000
    124       1.7892      0.00000
    125       1.8025      0.00000
    126       1.8057      0.00000
    127       1.8104      0.00000
    128       1.9457      0.00000
    129       1.9779      0.00000
    130       2.0319      0.00000
    131       2.0455      0.00000
    132       2.0506      0.00000
    133       2.0551      0.00000
    134       2.0580      0.00000
    135       2.3038      0.00000
    136       2.3227      0.00000
    137       2.6094      0.00000
    138       2.6169      0.00000
    139       2.6447      0.00000
    140       2.7135      0.00000
    141       2.8600      0.00000
    142       3.0224      0.00000
    143       3.0511      0.00000
    144       3.0816      0.00000
    145       3.0863      0.00000
    146       3.0887      0.00000
    147       3.0941      0.00000
    148       3.2261      0.00000
    149       3.4425      0.00000
    150       3.5362      0.00000
    151       3.7862      0.00000
    152       3.9414      0.00000
    153       3.9417      0.00000
    154       3.9460      0.00000
    155       3.9528      0.00000
    156       3.9961      0.00000
    157       4.1754      0.00000
    158       4.2630      0.00000
    159       4.2854      0.00000
    160       4.2859      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3209      1.00000
      2     -21.7623      1.00000
      3     -21.5716      1.00000
      4     -21.5388      1.00000
      5     -21.2087      1.00000
      6     -21.1638      1.00000
      7     -20.9881      1.00000
      8     -20.1026      1.00000
      9     -20.0585      1.00000
     10     -19.5470      1.00000
     11     -19.5225      1.00000
     12     -19.3500      1.00000
     13     -19.0254      1.00000
     14     -18.9903      1.00000
     15     -18.9823      1.00000
     16     -18.9700      1.00000
     17     -18.2981      1.00000
     18     -18.2788      1.00000
     19     -17.9528      1.00000
     20     -17.0102      1.00000
     21     -16.9603      1.00000
     22     -16.8793      1.00000
     23     -16.8692      1.00000
     24     -16.4053      1.00000
     25     -16.3905      1.00000
     26     -15.5525      1.00000
     27     -15.5366      1.00000
     28     -15.1982      1.00000
     29     -15.1699      1.00000
     30     -15.1155      1.00000
     31     -15.0283      1.00000
     32     -15.0036      1.00000
     33     -14.6367      1.00000
     34     -14.6251      1.00000
     35     -13.6677      1.00000
     36     -13.6526      1.00000
     37     -13.1702      1.00000
     38     -12.5512      1.00000
     39     -12.5182      1.00000
     40     -12.3917      1.00000
     41     -12.3788      1.00000
     42     -12.0574      1.00000
     43     -12.0348      1.00000
     44     -11.6596      1.00000
     45     -11.6176      1.00000
     46     -11.1805      1.00000
     47     -11.1571      1.00000
     48     -10.9651      1.00000
     49     -10.9414      1.00000
     50     -10.8739      1.00000
     51     -10.8378      1.00000
     52     -10.6026      1.00000
     53     -10.0935      1.00000
     54     -10.0893      1.00000
     55     -10.0462      1.00000
     56      -9.9707      1.00000
     57      -9.6545      1.00000
     58      -9.6298      1.00000
     59      -9.5927      1.00000
     60      -9.5299      1.00000
     61      -9.5111      1.00000
     62      -9.4798      1.00000
     63      -9.2643      1.00000
     64      -9.2418      1.00000
     65      -9.2216      1.00000
     66      -9.1666      1.00000
     67      -9.0691      1.00000
     68      -9.0477      1.00000
     69      -9.0413      1.00000
     70      -8.8833      1.00000
     71      -8.8065      1.00000
     72      -8.5762      1.00000
     73      -8.5225      1.00000
     74      -8.4573      1.00000
     75      -8.0355      1.00000
     76      -7.8112      1.00000
     77      -7.8074      1.00000
     78      -7.7927      1.00000
     79      -7.7007      1.00000
     80      -7.6912      1.00000
     81      -7.3641      1.00000
     82      -7.2739      1.00000
     83      -7.2646      1.00000
     84      -7.2163      1.00000
     85      -7.1734      1.00000
     86      -7.0093      1.00000
     87      -6.9475      1.00000
     88      -6.7465      1.00000
     89      -6.6727      1.00000
     90      -6.5950      1.00000
     91      -6.5600      1.00000
     92      -6.0506      1.00000
     93      -6.0470      1.00000
     94      -6.0219      1.00000
     95      -5.9593      1.00000
     96      -5.7371      1.00000
     97      -5.1531      1.00000
     98      -4.9891      1.00000
     99      -4.7188      1.00000
    100      -4.6113      1.00000
    101      -4.4391      1.00000
    102      -4.3732      1.00000
    103      -4.1213      1.00000
    104      -3.8674      1.00000
    105      -3.8299      1.00000
    106      -3.7903      1.00000
    107      -1.7850      0.00000
    108      -1.7390      0.00000
    109      -1.3952      0.00000
    110      -1.3462      0.00000
    111      -1.2647      0.00000
    112      -1.2262      0.00000
    113      -0.7462      0.00000
    114      -0.3802      0.00000
    115      -0.2202      0.00000
    116      -0.0198      0.00000
    117       0.5884      0.00000
    118       0.7365      0.00000
    119       0.7646      0.00000
    120       1.0500      0.00000
    121       1.1415      0.00000
    122       1.2498      0.00000
    123       1.2684      0.00000
    124       1.4117      0.00000
    125       1.4777      0.00000
    126       1.5816      0.00000
    127       1.7536      0.00000
    128       1.8388      0.00000
    129       1.8955      0.00000
    130       1.9579      0.00000
    131       2.1013      0.00000
    132       2.2325      0.00000
    133       2.2477      0.00000
    134       2.2933      0.00000
    135       2.4881      0.00000
    136       2.6082      0.00000
    137       2.6315      0.00000
    138       2.7652      0.00000
    139       2.7885      0.00000
    140       2.8533      0.00000
    141       2.8639      0.00000
    142       2.8916      0.00000
    143       2.9544      0.00000
    144       3.0792      0.00000
    145       3.2784      0.00000
    146       3.2998      0.00000
    147       3.3701      0.00000
    148       3.4011      0.00000
    149       3.4625      0.00000
    150       3.5794      0.00000
    151       3.6298      0.00000
    152       3.6669      0.00000
    153       3.7046      0.00000
    154       3.9022      0.00000
    155       3.9364      0.00000
    156       3.9792      0.00000
    157       4.0787      0.00000
    158       4.1981      0.00000
    159       4.2406      0.00000
    160       4.2931      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2153      1.00000
      2     -22.0089      1.00000
      3     -21.6502      1.00000
      4     -21.6132      1.00000
      5     -20.9139      1.00000
      6     -20.8676      1.00000
      7     -20.5466      1.00000
      8     -20.5073      1.00000
      9     -20.4969      1.00000
     10     -19.9645      1.00000
     11     -19.4432      1.00000
     12     -19.4162      1.00000
     13     -19.2424      1.00000
     14     -19.2280      1.00000
     15     -18.3849      1.00000
     16     -18.3408      1.00000
     17     -17.8607      1.00000
     18     -17.8397      1.00000
     19     -17.6987      1.00000
     20     -17.6561      1.00000
     21     -17.3728      1.00000
     22     -17.3567      1.00000
     23     -17.2751      1.00000
     24     -16.4017      1.00000
     25     -16.3871      1.00000
     26     -15.8974      1.00000
     27     -15.3531      1.00000
     28     -15.3379      1.00000
     29     -15.0353      1.00000
     30     -15.0216      1.00000
     31     -14.8001      1.00000
     32     -14.7755      1.00000
     33     -14.2225      1.00000
     34     -14.1906      1.00000
     35     -13.3714      1.00000
     36     -13.3379      1.00000
     37     -13.1203      1.00000
     38     -13.1030      1.00000
     39     -12.9172      1.00000
     40     -12.9038      1.00000
     41     -12.5571      1.00000
     42     -12.5393      1.00000
     43     -12.1337      1.00000
     44     -11.5222      1.00000
     45     -11.4745      1.00000
     46     -11.2540      1.00000
     47     -11.2204      1.00000
     48     -11.0799      1.00000
     49     -10.6581      1.00000
     50     -10.5890      1.00000
     51     -10.5237      1.00000
     52     -10.2586      1.00000
     53     -10.2497      1.00000
     54     -10.1231      1.00000
     55     -10.0493      1.00000
     56     -10.0414      1.00000
     57      -9.7696      1.00000
     58      -9.7060      1.00000
     59      -9.6806      1.00000
     60      -9.6310      1.00000
     61      -9.6272      1.00000
     62      -9.5888      1.00000
     63      -9.2949      1.00000
     64      -9.2858      1.00000
     65      -9.2536      1.00000
     66      -9.0860      1.00000
     67      -8.8977      1.00000
     68      -8.8839      1.00000
     69      -8.7255      1.00000
     70      -8.5885      1.00000
     71      -8.5144      1.00000
     72      -8.3314      1.00000
     73      -8.3033      1.00000
     74      -8.2650      1.00000
     75      -8.2335      1.00000
     76      -8.1954      1.00000
     77      -8.1863      1.00000
     78      -8.1712      1.00000
     79      -8.0988      1.00000
     80      -7.6890      1.00000
     81      -7.3566      1.00000
     82      -7.3105      1.00000
     83      -7.2653      1.00000
     84      -7.1872      1.00000
     85      -7.1257      1.00000
     86      -7.0774      1.00000
     87      -6.9075      1.00000
     88      -6.8831      1.00000
     89      -6.5495      1.00000
     90      -6.4929      1.00000
     91      -6.2098      1.00000
     92      -6.0697      1.00000
     93      -5.9418      1.00000
     94      -5.7143      1.00000
     95      -5.6335      1.00000
     96      -5.4529      1.00000
     97      -5.3049      1.00000
     98      -5.2348      1.00000
     99      -5.1527      1.00000
    100      -5.1520      1.00000
    101      -4.5199      1.00000
    102      -4.4695      1.00000
    103      -4.1412      1.00000
    104      -3.8331      1.00000
    105      -3.7565      1.00000
    106      -3.6801      1.00000
    107      -1.8707      0.00000
    108      -1.8245      0.00000
    109      -1.2781      0.00000
    110      -1.0360      0.00000
    111      -1.0121      0.00000
    112      -0.7130      0.00000
    113      -0.6399      0.00000
    114      -0.5883      0.00000
    115      -0.5462      0.00000
    116      -0.2048      0.00000
    117       0.2525      0.00000
    118       0.2786      0.00000
    119       0.7581      0.00000
    120       0.9430      0.00000
    121       1.1326      0.00000
    122       1.2264      0.00000
    123       1.3184      0.00000
    124       1.4095      0.00000
    125       1.5995      0.00000
    126       1.6335      0.00000
    127       1.6990      0.00000
    128       1.8217      0.00000
    129       1.9161      0.00000
    130       2.0101      0.00000
    131       2.0991      0.00000
    132       2.3214      0.00000
    133       2.3956      0.00000
    134       2.4303      0.00000
    135       2.5366      0.00000
    136       2.6331      0.00000
    137       2.7502      0.00000
    138       2.8116      0.00000
    139       2.8309      0.00000
    140       2.8854      0.00000
    141       3.0398      0.00000
    142       3.0887      0.00000
    143       3.1836      0.00000
    144       3.2348      0.00000
    145       3.3818      0.00000
    146       3.4207      0.00000
    147       3.4791      0.00000
    148       3.5713      0.00000
    149       3.5983      0.00000
    150       3.6265      0.00000
    151       3.6492      0.00000
    152       3.7392      0.00000
    153       3.7663      0.00000
    154       3.7823      0.00000
    155       3.8000      0.00000
    156       3.8907      0.00000
    157       3.9751      0.00000
    158       4.0032      0.00000
    159       4.1733      0.00000
    160       4.2322      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2490      1.00000
      2     -21.8946      1.00000
      3     -21.8241      1.00000
      4     -21.3126      1.00000
      5     -21.2824      1.00000
      6     -20.7714      1.00000
      7     -20.7056      1.00000
      8     -20.5571      1.00000
      9     -20.0096      1.00000
     10     -20.0023      1.00000
     11     -19.6487      1.00000
     12     -19.6244      1.00000
     13     -18.9301      1.00000
     14     -18.9218      1.00000
     15     -18.5712      1.00000
     16     -18.5572      1.00000
     17     -18.3947      1.00000
     18     -17.6154      1.00000
     19     -17.5594      1.00000
     20     -17.5544      1.00000
     21     -17.5128      1.00000
     22     -17.0564      1.00000
     23     -17.0386      1.00000
     24     -16.8917      1.00000
     25     -15.9299      1.00000
     26     -15.8681      1.00000
     27     -15.5171      1.00000
     28     -15.5162      1.00000
     29     -15.2290      1.00000
     30     -14.7950      1.00000
     31     -14.7677      1.00000
     32     -14.5157      1.00000
     33     -14.4718      1.00000
     34     -14.1021      1.00000
     35     -14.0911      1.00000
     36     -13.0765      1.00000
     37     -13.0336      1.00000
     38     -12.9673      1.00000
     39     -12.9552      1.00000
     40     -12.6456      1.00000
     41     -12.6392      1.00000
     42     -12.2746      1.00000
     43     -12.2433      1.00000
     44     -11.5872      1.00000
     45     -11.5608      1.00000
     46     -11.5070      1.00000
     47     -10.9041      1.00000
     48     -10.8514      1.00000
     49     -10.6204      1.00000
     50     -10.5594      1.00000
     51     -10.4856      1.00000
     52     -10.4339      1.00000
     53     -10.4244      1.00000
     54     -10.3712      1.00000
     55     -10.2944      1.00000
     56     -10.0653      1.00000
     57      -9.8341      1.00000
     58      -9.5485      1.00000
     59      -9.4891      1.00000
     60      -9.4694      1.00000
     61      -9.3467      1.00000
     62      -9.3312      1.00000
     63      -9.3108      1.00000
     64      -9.3090      1.00000
     65      -9.2149      1.00000
     66      -9.1119      1.00000
     67      -9.0808      1.00000
     68      -9.0500      1.00000
     69      -8.8469      1.00000
     70      -8.7932      1.00000
     71      -8.7743      1.00000
     72      -8.5279      1.00000
     73      -8.4754      1.00000
     74      -8.2206      1.00000
     75      -8.1101      1.00000
     76      -8.0995      1.00000
     77      -7.8074      1.00000
     78      -7.7844      1.00000
     79      -7.7817      1.00000
     80      -7.6734      1.00000
     81      -7.6317      1.00000
     82      -7.6305      1.00000
     83      -7.4017      1.00000
     84      -7.3254      1.00000
     85      -7.2007      1.00000
     86      -6.8397      1.00000
     87      -6.8292      1.00000
     88      -6.6613      1.00000
     89      -6.5391      1.00000
     90      -6.3445      1.00000
     91      -6.3076      1.00000
     92      -6.1845      1.00000
     93      -6.1475      1.00000
     94      -5.9782      1.00000
     95      -5.5725      1.00000
     96      -5.4267      1.00000
     97      -5.2594      1.00000
     98      -5.2474      1.00000
     99      -5.1495      1.00000
    100      -4.6955      1.00000
    101      -4.6652      1.00000
    102      -4.3487      1.00000
    103      -4.3132      1.00000
    104      -3.9629      1.00000
    105      -3.8259      1.00000
    106      -3.3901      1.00000
    107      -2.2203      0.00000
    108      -1.3766      0.00000
    109      -1.2873      0.00000
    110      -1.1735      0.00000
    111      -1.0783      0.00000
    112      -0.8939      0.00000
    113      -0.7683      0.00000
    114      -0.7576      0.00000
    115      -0.2210      0.00000
    116       0.1135      0.00000
    117       0.2638      0.00000
    118       0.3460      0.00000
    119       0.7322      0.00000
    120       0.9049      0.00000
    121       0.9717      0.00000
    122       1.0923      0.00000
    123       1.2037      0.00000
    124       1.5289      0.00000
    125       1.5617      0.00000
    126       1.7103      0.00000
    127       1.8376      0.00000
    128       1.8619      0.00000
    129       1.9641      0.00000
    130       1.9955      0.00000
    131       2.1553      0.00000
    132       2.2656      0.00000
    133       2.4534      0.00000
    134       2.4575      0.00000
    135       2.5039      0.00000
    136       2.6660      0.00000
    137       2.6853      0.00000
    138       2.7305      0.00000
    139       2.7416      0.00000
    140       2.8883      0.00000
    141       3.0207      0.00000
    142       3.0802      0.00000
    143       3.1922      0.00000
    144       3.2474      0.00000
    145       3.2516      0.00000
    146       3.2640      0.00000
    147       3.3545      0.00000
    148       3.4768      0.00000
    149       3.5269      0.00000
    150       3.6960      0.00000
    151       3.7478      0.00000
    152       3.7707      0.00000
    153       3.8323      0.00000
    154       3.8743      0.00000
    155       3.9408      0.00000
    156       3.9838      0.00000
    157       4.0210      0.00000
    158       4.0380      0.00000
    159       4.0503      0.00000
    160       4.0857      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1430      1.00000
      2     -22.0478      1.00000
      3     -21.8877      1.00000
      4     -21.3356      1.00000
      5     -20.9827      1.00000
      6     -20.9443      1.00000
      7     -20.4342      1.00000
      8     -20.3917      1.00000
      9     -20.2275      1.00000
     10     -20.2062      1.00000
     11     -19.8900      1.00000
     12     -19.8223      1.00000
     13     -18.8156      1.00000
     14     -18.7445      1.00000
     15     -18.2906      1.00000
     16     -18.2374      1.00000
     17     -18.0866      1.00000
     18     -18.0665      1.00000
     19     -17.7622      1.00000
     20     -17.7200      1.00000
     21     -17.1895      1.00000
     22     -17.1705      1.00000
     23     -17.1003      1.00000
     24     -17.0645      1.00000
     25     -16.0389      1.00000
     26     -15.8236      1.00000
     27     -15.8005      1.00000
     28     -15.7652      1.00000
     29     -15.1743      1.00000
     30     -14.4916      1.00000
     31     -14.4591      1.00000
     32     -14.2184      1.00000
     33     -13.8958      1.00000
     34     -13.8907      1.00000
     35     -13.7565      1.00000
     36     -13.7363      1.00000
     37     -13.5521      1.00000
     38     -13.5037      1.00000
     39     -13.3010      1.00000
     40     -12.5653      1.00000
     41     -12.1253      1.00000
     42     -12.0666      1.00000
     43     -12.0107      1.00000
     44     -11.9522      1.00000
     45     -11.6113      1.00000
     46     -11.5886      1.00000
     47     -11.0850      1.00000
     48     -11.0524      1.00000
     49     -10.7527      1.00000
     50     -10.6644      1.00000
     51     -10.5257      1.00000
     52     -10.1492      1.00000
     53     -10.1391      1.00000
     54     -10.0971      1.00000
     55      -9.9536      1.00000
     56      -9.9482      1.00000
     57      -9.9181      1.00000
     58      -9.7379      1.00000
     59      -9.7320      1.00000
     60      -9.7010      1.00000
     61      -9.6911      1.00000
     62      -9.4284      1.00000
     63      -9.3637      1.00000
     64      -9.0852      1.00000
     65      -9.0072      1.00000
     66      -8.9751      1.00000
     67      -8.8884      1.00000
     68      -8.8122      1.00000
     69      -8.6582      1.00000
     70      -8.6356      1.00000
     71      -8.5771      1.00000
     72      -8.4786      1.00000
     73      -8.4678      1.00000
     74      -8.3985      1.00000
     75      -8.3948      1.00000
     76      -8.1848      1.00000
     77      -8.1136      1.00000
     78      -7.9782      1.00000
     79      -7.9147      1.00000
     80      -7.8474      1.00000
     81      -7.6173      1.00000
     82      -7.5308      1.00000
     83      -7.4692      1.00000
     84      -7.2574      1.00000
     85      -6.9346      1.00000
     86      -6.8581      1.00000
     87      -6.8116      1.00000
     88      -6.5736      1.00000
     89      -6.4670      1.00000
     90      -6.4206      1.00000
     91      -6.3573      1.00000
     92      -6.0518      1.00000
     93      -5.8777      1.00000
     94      -5.7534      1.00000
     95      -5.7223      1.00000
     96      -5.4766      1.00000
     97      -5.3461      1.00000
     98      -5.1807      1.00000
     99      -5.1567      1.00000
    100      -5.1550      1.00000
    101      -4.7068      1.00000
    102      -4.4398      1.00000
    103      -4.2534      1.00000
    104      -3.9941      1.00000
    105      -3.8248      1.00000
    106      -3.1566      1.00000
    107      -2.4633      0.00000
    108      -1.3795      0.00000
    109      -1.2410      0.00000
    110      -1.1465      0.00000
    111      -1.1148      0.00000
    112      -0.5648      0.00000
    113      -0.4347      0.00000
    114      -0.4302      0.00000
    115      -0.3101      0.00000
    116      -0.1907      0.00000
    117       0.0617      0.00000
    118       0.1162      0.00000
    119       0.5404      0.00000
    120       0.6838      0.00000
    121       0.8693      0.00000
    122       0.9652      0.00000
    123       1.1081      0.00000
    124       1.4933      0.00000
    125       1.6595      0.00000
    126       1.8002      0.00000
    127       1.8721      0.00000
    128       2.0908      0.00000
    129       2.1314      0.00000
    130       2.1919      0.00000
    131       2.2133      0.00000
    132       2.3400      0.00000
    133       2.3559      0.00000
    134       2.4851      0.00000
    135       2.5763      0.00000
    136       2.6673      0.00000
    137       2.8789      0.00000
    138       2.9372      0.00000
    139       2.9637      0.00000
    140       2.9896      0.00000
    141       3.0359      0.00000
    142       3.1489      0.00000
    143       3.1768      0.00000
    144       3.2401      0.00000
    145       3.2887      0.00000
    146       3.3317      0.00000
    147       3.3492      0.00000
    148       3.3788      0.00000
    149       3.4041      0.00000
    150       3.4941      0.00000
    151       3.5460      0.00000
    152       3.6254      0.00000
    153       3.6887      0.00000
    154       3.7063      0.00000
    155       3.7202      0.00000
    156       3.9189      0.00000
    157       3.9336      0.00000
    158       4.0535      0.00000
    159       4.0860      0.00000
    160       4.1971      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2488      1.00000
      2     -21.8962      1.00000
      3     -21.8225      1.00000
      4     -21.3172      1.00000
      5     -21.2785      1.00000
      6     -20.7724      1.00000
      7     -20.7035      1.00000
      8     -20.5555      1.00000
      9     -20.0237      1.00000
     10     -19.9914      1.00000
     11     -19.6511      1.00000
     12     -19.6201      1.00000
     13     -18.9441      1.00000
     14     -18.9095      1.00000
     15     -18.5848      1.00000
     16     -18.5475      1.00000
     17     -18.3928      1.00000
     18     -17.6025      1.00000
     19     -17.5712      1.00000
     20     -17.5419      1.00000
     21     -17.5091      1.00000
     22     -17.0750      1.00000
     23     -17.0282      1.00000
     24     -16.9007      1.00000
     25     -15.9460      1.00000
     26     -15.8520      1.00000
     27     -15.5339      1.00000
     28     -15.5074      1.00000
     29     -15.2098      1.00000
     30     -14.8143      1.00000
     31     -14.7621      1.00000
     32     -14.5100      1.00000
     33     -14.4683      1.00000
     34     -14.0969      1.00000
     35     -14.0937      1.00000
     36     -13.1049      1.00000
     37     -13.0304      1.00000
     38     -12.9571      1.00000
     39     -12.9500      1.00000
     40     -12.6560      1.00000
     41     -12.6278      1.00000
     42     -12.2749      1.00000
     43     -12.2478      1.00000
     44     -11.5733      1.00000
     45     -11.5539      1.00000
     46     -11.5013      1.00000
     47     -10.8781      1.00000
     48     -10.8691      1.00000
     49     -10.6804      1.00000
     50     -10.5254      1.00000
     51     -10.5208      1.00000
     52     -10.4341      1.00000
     53     -10.4168      1.00000
     54     -10.3706      1.00000
     55     -10.2885      1.00000
     56     -10.0610      1.00000
     57      -9.8328      1.00000
     58      -9.5588      1.00000
     59      -9.4849      1.00000
     60      -9.4439      1.00000
     61      -9.3562      1.00000
     62      -9.3396      1.00000
     63      -9.3082      1.00000
     64      -9.3032      1.00000
     65      -9.2068      1.00000
     66      -9.0997      1.00000
     67      -9.0688      1.00000
     68      -9.0495      1.00000
     69      -8.8497      1.00000
     70      -8.7973      1.00000
     71      -8.7782      1.00000
     72      -8.5275      1.00000
     73      -8.4966      1.00000
     74      -8.2253      1.00000
     75      -8.1298      1.00000
     76      -8.0931      1.00000
     77      -7.8067      1.00000
     78      -7.7677      1.00000
     79      -7.7406      1.00000
     80      -7.7026      1.00000
     81      -7.6355      1.00000
     82      -7.6250      1.00000
     83      -7.3884      1.00000
     84      -7.3447      1.00000
     85      -7.2201      1.00000
     86      -6.8436      1.00000
     87      -6.8210      1.00000
     88      -6.6394      1.00000
     89      -6.5299      1.00000
     90      -6.3415      1.00000
     91      -6.2734      1.00000
     92      -6.1956      1.00000
     93      -6.1322      1.00000
     94      -6.0210      1.00000
     95      -5.6356      1.00000
     96      -5.5089      1.00000
     97      -5.2980      1.00000
     98      -5.1564      1.00000
     99      -5.0403      1.00000
    100      -4.7253      1.00000
    101      -4.6857      1.00000
    102      -4.3675      1.00000
    103      -4.1834      1.00000
    104      -4.0071      1.00000
    105      -3.8242      1.00000
    106      -3.4844      1.00000
    107      -2.1648      0.00000
    108      -1.3839      0.00000
    109      -1.2354      0.00000
    110      -1.1852      0.00000
    111      -1.0146      0.00000
    112      -0.9559      0.00000
    113      -0.7975      0.00000
    114      -0.7524      0.00000
    115      -0.3678      0.00000
    116       0.2456      0.00000
    117       0.2766      0.00000
    118       0.3638      0.00000
    119       0.6980      0.00000
    120       0.8685      0.00000
    121       0.9657      0.00000
    122       1.1236      0.00000
    123       1.2335      0.00000
    124       1.4537      0.00000
    125       1.5535      0.00000
    126       1.7805      0.00000
    127       1.8499      0.00000
    128       1.8809      0.00000
    129       1.9835      0.00000
    130       2.0267      0.00000
    131       2.1927      0.00000
    132       2.2094      0.00000
    133       2.4005      0.00000
    134       2.4453      0.00000
    135       2.5483      0.00000
    136       2.6580      0.00000
    137       2.6845      0.00000
    138       2.7273      0.00000
    139       2.7653      0.00000
    140       2.8493      0.00000
    141       2.9639      0.00000
    142       3.0774      0.00000
    143       3.1862      0.00000
    144       3.2342      0.00000
    145       3.2532      0.00000
    146       3.2898      0.00000
    147       3.3272      0.00000
    148       3.4764      0.00000
    149       3.5075      0.00000
    150       3.7067      0.00000
    151       3.7203      0.00000
    152       3.7706      0.00000
    153       3.8585      0.00000
    154       3.8711      0.00000
    155       3.8968      0.00000
    156       3.9947      0.00000
    157       3.9974      0.00000
    158       4.0439      0.00000
    159       4.0595      0.00000
    160       4.0848      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3208      1.00000
      2     -21.7626      1.00000
      3     -21.5689      1.00000
      4     -21.5416      1.00000
      5     -21.2061      1.00000
      6     -21.1671      1.00000
      7     -20.9867      1.00000
      8     -20.0996      1.00000
      9     -20.0607      1.00000
     10     -19.5472      1.00000
     11     -19.5272      1.00000
     12     -19.3457      1.00000
     13     -19.0288      1.00000
     14     -18.9890      1.00000
     15     -18.9786      1.00000
     16     -18.9728      1.00000
     17     -18.2967      1.00000
     18     -18.2833      1.00000
     19     -17.9469      1.00000
     20     -17.0011      1.00000
     21     -16.9601      1.00000
     22     -16.8832      1.00000
     23     -16.8704      1.00000
     24     -16.4167      1.00000
     25     -16.3941      1.00000
     26     -15.5417      1.00000
     27     -15.5385      1.00000
     28     -15.1735      1.00000
     29     -15.1720      1.00000
     30     -15.1316      1.00000
     31     -15.0369      1.00000
     32     -15.0017      1.00000
     33     -14.6341      1.00000
     34     -14.6273      1.00000
     35     -13.6633      1.00000
     36     -13.6537      1.00000
     37     -13.1714      1.00000
     38     -12.5730      1.00000
     39     -12.5137      1.00000
     40     -12.3865      1.00000
     41     -12.3858      1.00000
     42     -12.0357      1.00000
     43     -12.0317      1.00000
     44     -11.6558      1.00000
     45     -11.6155      1.00000
     46     -11.2059      1.00000
     47     -11.1577      1.00000
     48     -10.9554      1.00000
     49     -10.9428      1.00000
     50     -10.8612      1.00000
     51     -10.8290      1.00000
     52     -10.6244      1.00000
     53     -10.1461      1.00000
     54     -10.0849      1.00000
     55     -10.0253      1.00000
     56      -9.9465      1.00000
     57      -9.6315      1.00000
     58      -9.6299      1.00000
     59      -9.6038      1.00000
     60      -9.5411      1.00000
     61      -9.5036      1.00000
     62      -9.4800      1.00000
     63      -9.2724      1.00000
     64      -9.2358      1.00000
     65      -9.2080      1.00000
     66      -9.1802      1.00000
     67      -9.0632      1.00000
     68      -9.0474      1.00000
     69      -9.0438      1.00000
     70      -8.8776      1.00000
     71      -8.8094      1.00000
     72      -8.5340      1.00000
     73      -8.5334      1.00000
     74      -8.4978      1.00000
     75      -8.0312      1.00000
     76      -7.8321      1.00000
     77      -7.7996      1.00000
     78      -7.7751      1.00000
     79      -7.7034      1.00000
     80      -7.6848      1.00000
     81      -7.4145      1.00000
     82      -7.2872      1.00000
     83      -7.2520      1.00000
     84      -7.2040      1.00000
     85      -7.0817      1.00000
     86      -7.0760      1.00000
     87      -6.9387      1.00000
     88      -6.7114      1.00000
     89      -6.6747      1.00000
     90      -6.6299      1.00000
     91      -6.5579      1.00000
     92      -6.0715      1.00000
     93      -6.0317      1.00000
     94      -6.0014      1.00000
     95      -5.9383      1.00000
     96      -5.7998      1.00000
     97      -5.1793      1.00000
     98      -4.8937      1.00000
     99      -4.7939      1.00000
    100      -4.6111      1.00000
    101      -4.5122      1.00000
    102      -4.1397      1.00000
    103      -4.0905      1.00000
    104      -3.9306      1.00000
    105      -3.9155      1.00000
    106      -3.8236      1.00000
    107      -1.7522      0.00000
    108      -1.6963      0.00000
    109      -1.4109      0.00000
    110      -1.3705      0.00000
    111      -1.2647      0.00000
    112      -1.2364      0.00000
    113      -0.6257      0.00000
    114      -0.5985      0.00000
    115      -0.1899      0.00000
    116       0.0408      0.00000
    117       0.5823      0.00000
    118       0.7410      0.00000
    119       0.8493      0.00000
    120       0.9280      0.00000
    121       1.1674      0.00000
    122       1.2103      0.00000
    123       1.2448      0.00000
    124       1.4168      0.00000
    125       1.5965      0.00000
    126       1.6348      0.00000
    127       1.7033      0.00000
    128       1.8012      0.00000
    129       1.9217      0.00000
    130       1.9400      0.00000
    131       2.1431      0.00000
    132       2.1715      0.00000
    133       2.2596      0.00000
    134       2.2986      0.00000
    135       2.5404      0.00000
    136       2.5567      0.00000
    137       2.6293      0.00000
    138       2.7583      0.00000
    139       2.8007      0.00000
    140       2.8401      0.00000
    141       2.8933      0.00000
    142       2.9396      0.00000
    143       3.0104      0.00000
    144       3.0261      0.00000
    145       3.0849      0.00000
    146       3.3051      0.00000
    147       3.3624      0.00000
    148       3.4142      0.00000
    149       3.4733      0.00000
    150       3.5981      0.00000
    151       3.6550      0.00000
    152       3.6599      0.00000
    153       3.6773      0.00000
    154       3.8871      0.00000
    155       3.9721      0.00000
    156       4.0180      0.00000
    157       4.0713      0.00000
    158       4.2314      0.00000
    159       4.2543      0.00000
    160       4.2623      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1421      1.00000
      2     -22.0493      1.00000
      3     -21.8872      1.00000
      4     -21.3366      1.00000
      5     -20.9778      1.00000
      6     -20.9483      1.00000
      7     -20.4290      1.00000
      8     -20.3971      1.00000
      9     -20.2169      1.00000
     10     -20.2152      1.00000
     11     -19.8888      1.00000
     12     -19.8251      1.00000
     13     -18.8186      1.00000
     14     -18.7479      1.00000
     15     -18.2666      1.00000
     16     -18.2525      1.00000
     17     -18.0810      1.00000
     18     -18.0745      1.00000
     19     -17.7467      1.00000
     20     -17.7309      1.00000
     21     -17.1955      1.00000
     22     -17.1724      1.00000
     23     -17.0892      1.00000
     24     -17.0689      1.00000
     25     -16.0549      1.00000
     26     -15.8095      1.00000
     27     -15.7999      1.00000
     28     -15.7784      1.00000
     29     -15.1596      1.00000
     30     -14.4864      1.00000
     31     -14.4651      1.00000
     32     -14.2046      1.00000
     33     -13.9168      1.00000
     34     -13.8872      1.00000
     35     -13.7595      1.00000
     36     -13.7394      1.00000
     37     -13.5369      1.00000
     38     -13.5111      1.00000
     39     -13.3025      1.00000
     40     -12.5775      1.00000
     41     -12.1018      1.00000
     42     -12.0776      1.00000
     43     -11.9994      1.00000
     44     -11.9520      1.00000
     45     -11.6057      1.00000
     46     -11.5983      1.00000
     47     -11.0844      1.00000
     48     -11.0618      1.00000
     49     -10.7324      1.00000
     50     -10.6656      1.00000
     51     -10.5578      1.00000
     52     -10.1403      1.00000
     53     -10.1358      1.00000
     54     -10.1018      1.00000
     55      -9.9664      1.00000
     56      -9.9259      1.00000
     57      -9.9226      1.00000
     58      -9.7510      1.00000
     59      -9.7297      1.00000
     60      -9.6979      1.00000
     61      -9.6952      1.00000
     62      -9.4004      1.00000
     63      -9.3899      1.00000
     64      -9.0684      1.00000
     65      -8.9829      1.00000
     66      -8.9818      1.00000
     67      -8.9061      1.00000
     68      -8.8131      1.00000
     69      -8.6496      1.00000
     70      -8.6343      1.00000
     71      -8.5466      1.00000
     72      -8.5024      1.00000
     73      -8.4834      1.00000
     74      -8.3949      1.00000
     75      -8.3830      1.00000
     76      -8.2103      1.00000
     77      -8.1017      1.00000
     78      -8.0076      1.00000
     79      -7.9017      1.00000
     80      -7.8432      1.00000
     81      -7.6221      1.00000
     82      -7.5336      1.00000
     83      -7.4577      1.00000
     84      -7.2539      1.00000
     85      -6.9428      1.00000
     86      -6.8689      1.00000
     87      -6.8103      1.00000
     88      -6.4786      1.00000
     89      -6.4687      1.00000
     90      -6.4101      1.00000
     91      -6.3605      1.00000
     92      -6.1880      1.00000
     93      -5.8587      1.00000
     94      -5.7382      1.00000
     95      -5.7119      1.00000
     96      -5.5231      1.00000
     97      -5.3294      1.00000
     98      -5.1727      1.00000
     99      -5.1680      1.00000
    100      -5.1346      1.00000
    101      -4.6961      1.00000
    102      -4.3482      1.00000
    103      -4.2774      1.00000
    104      -4.0270      1.00000
    105      -3.8257      1.00000
    106      -3.2334      1.00000
    107      -2.4057      0.00000
    108      -1.3460      0.00000
    109      -1.2437      0.00000
    110      -1.1536      0.00000
    111      -1.1087      0.00000
    112      -0.5839      0.00000
    113      -0.5210      0.00000
    114      -0.4340      0.00000
    115      -0.2749      0.00000
    116      -0.0719      0.00000
    117      -0.0115      0.00000
    118       0.0598      0.00000
    119       0.5836      0.00000
    120       0.7103      0.00000
    121       0.8081      0.00000
    122       0.9403      0.00000
    123       1.1801      0.00000
    124       1.5074      0.00000
    125       1.6172      0.00000
    126       1.8559      0.00000
    127       2.0026      0.00000
    128       2.0492      0.00000
    129       2.1101      0.00000
    130       2.1411      0.00000
    131       2.2593      0.00000
    132       2.2849      0.00000
    133       2.3469      0.00000
    134       2.4568      0.00000
    135       2.6087      0.00000
    136       2.6989      0.00000
    137       2.8170      0.00000
    138       2.9148      0.00000
    139       2.9424      0.00000
    140       3.0085      0.00000
    141       3.0437      0.00000
    142       3.1557      0.00000
    143       3.1592      0.00000
    144       3.2210      0.00000
    145       3.2983      0.00000
    146       3.3088      0.00000
    147       3.3523      0.00000
    148       3.3719      0.00000
    149       3.4148      0.00000
    150       3.4384      0.00000
    151       3.5554      0.00000
    152       3.6055      0.00000
    153       3.6963      0.00000
    154       3.7198      0.00000
    155       3.8451      0.00000
    156       3.9007      0.00000
    157       3.9305      0.00000
    158       3.9574      0.00000
    159       4.1448      0.00000
    160       4.1797      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2148      1.00000
      2     -22.0096      1.00000
      3     -21.6476      1.00000
      4     -21.6162      1.00000
      5     -20.9111      1.00000
      6     -20.8703      1.00000
      7     -20.5404      1.00000
      8     -20.5078      1.00000
      9     -20.5009      1.00000
     10     -19.9634      1.00000
     11     -19.4419      1.00000
     12     -19.4201      1.00000
     13     -19.2412      1.00000
     14     -19.2340      1.00000
     15     -18.3771      1.00000
     16     -18.3420      1.00000
     17     -17.8597      1.00000
     18     -17.8438      1.00000
     19     -17.6923      1.00000
     20     -17.6562      1.00000
     21     -17.3731      1.00000
     22     -17.3589      1.00000
     23     -17.2679      1.00000
     24     -16.4143      1.00000
     25     -16.3909      1.00000
     26     -15.9058      1.00000
     27     -15.3445      1.00000
     28     -15.3397      1.00000
     29     -15.0320      1.00000
     30     -15.0224      1.00000
     31     -14.7770      1.00000
     32     -14.7748      1.00000
     33     -14.2381      1.00000
     34     -14.1877      1.00000
     35     -13.3880      1.00000
     36     -13.3340      1.00000
     37     -13.1118      1.00000
     38     -13.1039      1.00000
     39     -12.9189      1.00000
     40     -12.9133      1.00000
     41     -12.5460      1.00000
     42     -12.5384      1.00000
     43     -12.1339      1.00000
     44     -11.5147      1.00000
     45     -11.4703      1.00000
     46     -11.2457      1.00000
     47     -11.2141      1.00000
     48     -11.0865      1.00000
     49     -10.7038      1.00000
     50     -10.5962      1.00000
     51     -10.5096      1.00000
     52     -10.2522      1.00000
     53     -10.2482      1.00000
     54     -10.1223      1.00000
     55     -10.0548      1.00000
     56     -10.0397      1.00000
     57      -9.7846      1.00000
     58      -9.6877      1.00000
     59      -9.6747      1.00000
     60      -9.6382      1.00000
     61      -9.6286      1.00000
     62      -9.5869      1.00000
     63      -9.2960      1.00000
     64      -9.2841      1.00000
     65      -9.2539      1.00000
     66      -9.0635      1.00000
     67      -8.8954      1.00000
     68      -8.8844      1.00000
     69      -8.7195      1.00000
     70      -8.5805      1.00000
     71      -8.5269      1.00000
     72      -8.3512      1.00000
     73      -8.3054      1.00000
     74      -8.2443      1.00000
     75      -8.2385      1.00000
     76      -8.1951      1.00000
     77      -8.1820      1.00000
     78      -8.1703      1.00000
     79      -8.1056      1.00000
     80      -7.6900      1.00000
     81      -7.4189      1.00000
     82      -7.3432      1.00000
     83      -7.2594      1.00000
     84      -7.1690      1.00000
     85      -7.1111      1.00000
     86      -7.0051      1.00000
     87      -6.9047      1.00000
     88      -6.8485      1.00000
     89      -6.5424      1.00000
     90      -6.4987      1.00000
     91      -6.2103      1.00000
     92      -6.2020      1.00000
     93      -5.8953      1.00000
     94      -5.6738      1.00000
     95      -5.6072      1.00000
     96      -5.5812      1.00000
     97      -5.2538      1.00000
     98      -5.2318      1.00000
     99      -5.1654      1.00000
    100      -5.1351      1.00000
    101      -4.5989      1.00000
    102      -4.2475      1.00000
    103      -4.0436      1.00000
    104      -3.8850      1.00000
    105      -3.8387      1.00000
    106      -3.8001      1.00000
    107      -1.8082      0.00000
    108      -1.7811      0.00000
    109      -1.2262      0.00000
    110      -1.1752      0.00000
    111      -0.9741      0.00000
    112      -0.7349      0.00000
    113      -0.6497      0.00000
    114      -0.5939      0.00000
    115      -0.5500      0.00000
    116      -0.1551      0.00000
    117       0.1768      0.00000
    118       0.2877      0.00000
    119       0.7039      0.00000
    120       0.9461      0.00000
    121       1.1693      0.00000
    122       1.2777      0.00000
    123       1.3419      0.00000
    124       1.5093      0.00000
    125       1.6070      0.00000
    126       1.6269      0.00000
    127       1.6912      0.00000
    128       1.7726      0.00000
    129       1.8582      0.00000
    130       2.0713      0.00000
    131       2.1587      0.00000
    132       2.3157      0.00000
    133       2.3909      0.00000
    134       2.4216      0.00000
    135       2.5518      0.00000
    136       2.6230      0.00000
    137       2.6866      0.00000
    138       2.7396      0.00000
    139       2.8064      0.00000
    140       2.9058      0.00000
    141       3.0480      0.00000
    142       3.0602      0.00000
    143       3.1789      0.00000
    144       3.2783      0.00000
    145       3.3772      0.00000
    146       3.4091      0.00000
    147       3.4567      0.00000
    148       3.5452      0.00000
    149       3.5704      0.00000
    150       3.6323      0.00000
    151       3.6614      0.00000
    152       3.7013      0.00000
    153       3.7794      0.00000
    154       3.7888      0.00000
    155       3.8206      0.00000
    156       3.8899      0.00000
    157       3.9033      0.00000
    158       3.9726      0.00000
    159       4.1871      0.00000
    160       4.2272      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0391   -7.2568    3.9828   -1.1314   -0.1851   17.3734    0.4905   -0.8147    0.7707   -0.4759
x    -3.1265   -0.0252   -0.0207   -0.0263    0.0913   -3.0540    0.0303   -0.0243    0.0083    0.0018
x    -0.0953   -0.0029    0.0035   -0.0031    0.0021   -0.0242    0.0000    0.0000   -0.0001    0.0001
x    -0.0035   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0391    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0034    0.0000    0.0004    0.0007    0.0028   -0.0985   -0.0315    0.0618    0.0184
y     0.0232   -3.2430   -0.1787    0.1698   -2.4144   -0.6650
z   204.0391    1.7390    0.2873    0.0898   -0.0014    0.0776   -0.0019    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1048    0.0015   -0.0009   -0.0001    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0013   -0.0001    0.0001    0.0000
z    -0.0001    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  -16.7036
z     0.1405    0.2292   -0.0318    0.0572   -0.0903    0.0006
 total charge-density along one line
x   212.0000  -10.0882    5.9298   -1.9404   -0.4207   19.2927   -0.6590    0.2078    0.0655   -0.1051
x    -2.7067   -0.0089    0.0018   -0.0454    0.0972   -2.3454    0.0477   -0.0343    0.0117    0.0024
x    -0.0854   -0.0055    0.0083   -0.0079    0.0053   -0.0374    0.0000   -0.0001    0.0004   -0.0004
x    -0.0054    0.0000   -0.0002    0.0001    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  -10.0882    5.9298   -1.9404   -0.4207   19.2927   -0.6590    0.2078    0.0655   -0.1051
y    -2.7067   -0.0089    0.0018   -0.0454    0.0972   -2.3454    0.0477   -0.0343    0.0117    0.0024
y    -0.0854   -0.0055    0.0083   -0.0079    0.0053   -0.0374    0.0000   -0.0001    0.0004   -0.0004
y    -0.0054    0.0000   -0.0002    0.0001    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 -205.2993  188.8546 -170.1541  154.0946 -140.4389  126.5442 -111.0574   94.7730  -79.0935
z    64.7169  -51.7778   40.5491  -31.5119   24.8034  -19.8827   15.8779  -12.2209    8.9089   -6.2224
z     4.2936   -2.9625    1.9638   -1.1547    0.5446   -0.1599   -0.0589    0.2213   -0.3852    0.5201
z    -0.5683    0.5233   -0.4394    0.3761   -0.3481    0.3298   -0.2952    0.2450   -0.1975    0.1644
z    -0.1416    0.1196   -0.0957    0.0747   -0.0610    0.0533   -0.0468    0.0390   -0.0313    0.0258
z    -0.0227    0.0203   -0.0173    0.0140   -0.0113    0.0093   -0.0076    0.0058   -0.0043    0.0032
z    -0.0022    0.0013   -0.0004   -0.0002    0.0004   -0.0004    0.0005   -0.0008    0.0009   -0.0007
z     0.0004   -0.0002    0.0001   -0.0001    0.0000    0.0002   -0.0003    0.0003   -0.0003    0.0003
z    -0.0003    0.0003   -0.0002    0.0002   -0.0002    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001
z     0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 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
-10.939   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.267   0.000  -0.102   0.000   0.000   0.239   0.000
  0.041   0.000 -11.243   0.000  -0.024  -0.006   0.000   0.237
  0.000  -0.102   0.000 -11.150   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.936   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.237   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.225   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.199   0.000   0.000   0.000
  0.036   0.000   0.100   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.026   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.939   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.267   0.000  -0.102   0.000   0.000   0.239   0.000
  0.041   0.000 -11.243   0.000  -0.024  -0.006   0.000   0.237
  0.000  -0.102   0.000 -11.150   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.936   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.237   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.225   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.199   0.000   0.000   0.000
  0.036   0.000   0.100   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.026   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.960   0.000  -0.027   0.000   0.002   0.022   0.000   0.058   0.000  -0.014  -0.026   0.025   0.000  -0.001   0.000   0.000
  0.000   1.586   0.000  -0.148   0.000   0.000   0.594   0.000   0.260   0.000   0.000   0.000   0.160   0.000   0.106  -0.035
 -0.027   0.000   1.789   0.000   0.019   0.044   0.000   0.353   0.000  -0.027  -0.232  -0.043   0.000   0.096   0.000   0.000
  0.000  -0.148   0.000   1.756   0.000   0.000   0.260   0.000   0.293   0.000   0.000   0.000   0.108   0.000   0.039   0.005
  0.002   0.000   0.019   0.000   1.966  -0.014   0.000  -0.035   0.000   0.004   0.011  -0.015   0.000   0.003   0.000   0.000
  0.022   0.000   0.044   0.000  -0.014   0.063   0.000   0.101   0.000  -0.024   0.193  -0.053   0.000   0.115   0.000   0.000
  0.000   0.594   0.000   0.260   0.000   0.000   0.329   0.000   0.107   0.000   0.000   0.000   0.057   0.000   0.066  -0.011
  0.058   0.000   0.353   0.000  -0.035   0.101   0.000   0.559   0.000  -0.057   0.698  -0.291   0.000   0.087   0.000   0.000
  0.000   0.260   0.000   0.293   0.000   0.000   0.107   0.000   0.206   0.000   0.000   0.000   0.065   0.000  -0.019  -0.006
 -0.014   0.000  -0.027   0.000   0.004  -0.024   0.000  -0.057   0.000   0.036  -0.110   0.031   0.000  -0.068   0.000   0.000
 -0.026   0.000  -0.232   0.000   0.011   0.193   0.000   0.698   0.000  -0.110   1.351  -0.432   0.000   0.266   0.000   0.000
  0.025   0.000  -0.043   0.000  -0.015  -0.053   0.000  -0.291   0.000   0.031  -0.432   0.191   0.000  -0.034   0.000   0.000
  0.000   0.160   0.000   0.108   0.000   0.000   0.057   0.000   0.065   0.000   0.000   0.000   0.043   0.000   0.012  -0.004
 -0.001   0.000   0.096   0.000   0.003   0.115   0.000   0.087   0.000  -0.068   0.266  -0.034   0.000   0.308   0.000   0.000
  0.000   0.106   0.000   0.039   0.000   0.000   0.066   0.000  -0.019   0.000   0.000   0.000   0.012   0.000   0.031  -0.002
  0.000  -0.035   0.000   0.005   0.000   0.000  -0.011   0.000  -0.006   0.000   0.000   0.000  -0.004   0.000  -0.002   0.001
  0.001   0.000  -0.037   0.000  -0.001  -0.005   0.000  -0.009   0.000   0.003  -0.007   0.000   0.000  -0.014   0.000   0.000
  0.000   0.005   0.000  -0.041   0.000   0.000  -0.007   0.000  -0.004   0.000   0.000   0.000  -0.002   0.000  -0.002   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        0.638   0.276   8.026   8.940
  2        0.514   0.028   0.000   0.542
  3        0.514   0.028   0.000   0.542
  4        0.864   1.783   0.000   2.647
  5        0.864   1.783   0.000   2.646
  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   1.783   0.000   2.647
 10        0.864   1.784   0.000   2.648
 11        0.863   1.783   0.000   2.646
 12        0.864   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.646
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.863   1.777   0.000   2.640
 17        0.856   1.773   0.000   2.629
 18        0.864   1.784   0.000   2.648
 19        0.864   1.782   0.000   2.646
 20        0.864   1.782   0.000   2.646
 21        0.863   1.781   0.000   2.644
 22        0.863   1.776   0.000   2.640
 23        0.863   1.783   0.000   2.646
 24        0.864   1.783   0.000   2.647
 25        0.864   1.783   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   1.783   0.000   2.647
 29        0.864   1.783   0.000   2.647
 30        0.864   1.783   0.000   2.647
 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   2.646
 34        0.864   1.782   0.000   2.646
 35        0.863   1.783   0.000   2.646
 36        0.863   1.776   0.000   2.640
 37        0.863   1.781   0.000   2.644
 38        0.864   1.782   0.000   2.646
 39        0.864   1.784   0.000   2.648
 40        0.864   1.784   0.000   2.648
 41        0.856   1.773   0.000   2.629
 42        0.863   1.777   0.000   2.640
 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   2.646
 46        0.864   1.785   0.000   2.648
 47        0.863   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   1.783   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   1.783   0.000   2.646
------------------------------------------------
tot       44.832  89.438   8.026 142.297
 


 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  114.17: CPU time   57.75
    FORLOC:  VPU time    1.27: CPU time    1.26
    FORNL :  VPU time  442.19: CPU time  222.34
    STRESS:  VPU time 1368.05: CPU time  687.65
    FORCOR:  VPU time    8.76: CPU time    8.76
    FORHAR:  VPU time    2.31: CPU time    2.31
    MIXING:  VPU time    0.18: CPU time    0.18
 d Force = 0.2445401E-06[ 0.376E-06, 0.113E-06]  d Energy = 0.1943172E-05-0.170E-05
 d Force = 0.8713415E-01[ 0.871E-01, 0.871E-01]  d Ewald  = 0.1509785E+00-0.638E-01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.644888 eV

  energy  without entropy=     -471.644888  energy(sigma->0) =     -471.644888
 

  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    40733.56  40750.39 -47435.63     14.58      0.00      0.00
  Hartree  40199.07  40202.86 -39453.59      3.28      0.00      0.00
  E(xc)     -779.75   -779.56   -807.28      0.17      0.00      0.00
  Local   -83225.78 -83240.23  84206.53    -12.51      0.00      0.00
  n-local   -215.84   -215.74   -203.87     -0.16      0.00      0.00
  augment     22.09     20.52     17.36     -1.36      0.00      0.00
  Kinetic   3168.85   3171.47   3582.25     -6.19      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.10     -0.12     -0.29     -0.02      0.00      0.00
  in kB       -0.06     -0.08     -0.18     -0.01      0.00      0.00
  external pressure =       -0.10 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
    12.347053300  0.001769093  0.000000000     0.080984287  0.046740898  0.000000000
    -6.172001213 10.693742419  0.000000000    -0.000013397  0.093504900  0.000000000
     0.000000000  0.000000000 19.978184181     0.000000000  0.000000000  0.050054599

  length of vectors
    12.347053427 12.347053328 19.978184181     0.093504900  0.093504901  0.050054599


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.393E-05 -.457E-04 -.960E+03   0.431E-05 -.274E-04 0.968E+03   0.249E-20 -.372E-22 -.792E+01   -.160E-07 0.793E-08 0.254E-02
   -.176E+02 -.304E+02 -.136E+03   0.184E+02 0.318E+02 0.138E+03   -.829E+00 -.144E+01 -.258E+01   -.669E-04 -.117E-03 -.447E-03
   0.176E+02 0.304E+02 -.136E+03   -.184E+02 -.318E+02 0.138E+03   0.829E+00 0.144E+01 -.258E+01   0.668E-04 0.117E-03 -.447E-03
   -.196E+01 0.113E+01 0.170E+02   0.197E+01 -.114E+01 -.170E+02   -.896E-02 0.517E-02 -.863E-02   -.209E-04 0.911E-05 0.370E-03
   0.579E+01 0.690E+01 0.198E+02   -.580E+01 -.693E+01 -.198E+02   0.631E-02 0.328E-01 -.192E-01   -.337E-04 -.179E-03 0.298E-03
   0.113E+02 0.504E+01 0.184E+02   -.113E+02 -.505E+01 -.183E+02   0.248E-01 0.911E-02 -.540E-01   -.290E-03 0.337E-03 -.151E-03
   0.454E+01 -.102E+01 0.164E+02   -.456E+01 0.104E+01 -.164E+02   0.203E-01 -.164E-01 -.122E-02   -.139E-03 0.327E-03 -.307E-03
   -.291E+01 -.239E+01 0.150E+02   0.293E+01 0.241E+01 -.150E+02   -.152E-01 -.147E-01 -.107E-02   0.714E-04 0.639E-04 0.719E-04
   0.616E+00 0.372E+01 0.150E+02   -.621E+00 -.374E+01 -.150E+02   0.518E-02 0.205E-01 -.107E-02   -.250E-04 -.999E-04 0.682E-04
   0.274E+01 0.182E+02 0.247E+02   -.275E+01 -.183E+02 -.247E+02   0.906E-02 0.111E+00 -.461E-02   -.185E-03 0.295E-03 -.176E-03
   0.215E+02 0.226E+02 0.396E+02   -.216E+02 -.228E+02 -.396E+02   0.117E+00 0.228E+00 -.198E-01   -.704E-03 -.190E-03 -.703E-03
   0.265E+02 -.448E+01 0.269E+02   -.267E+02 0.460E+01 -.268E+02   0.236E+00 -.119E+00 -.593E-01   -.287E-03 -.987E-04 -.683E-03
   0.916E+01 -.529E+01 0.155E+02   -.918E+01 0.530E+01 -.155E+02   0.185E-01 -.107E-01 0.511E-03   0.289E-03 -.173E-03 -.114E-03
   0.315E+01 -.342E+01 0.164E+02   -.318E+01 0.343E+01 -.164E+02   0.244E-01 -.938E-02 -.122E-02   -.354E-03 -.475E-04 -.316E-03
   -.603E+01 0.132E+02 0.199E+02   0.604E+01 -.132E+02 -.199E+02   -.600E-02 0.742E-01 -.120E-01   -.292E-03 -.189E-03 -.484E-03
   -.123E+02 0.335E+02 0.459E+02   0.123E+02 -.341E+02 -.462E+02   -.913E-01 0.681E+00 0.343E+00   0.633E-04 -.176E-03 -.721E-03
   0.263E+02 -.152E+02 0.698E+02   -.273E+02 0.158E+02 -.719E+02   0.967E+00 -.558E+00 0.211E+01   -.611E-03 0.350E-03 -.804E-03
   0.171E+02 -.207E+02 0.269E+02   -.174E+02 0.209E+02 -.268E+02   0.221E+00 -.144E+00 -.593E-01   -.604E-04 0.291E-03 -.688E-03
   0.126E+01 -.123E+02 0.184E+02   -.126E+01 0.123E+02 -.183E+02   0.450E-02 -.260E-01 -.540E-01   -.434E-03 0.810E-04 -.156E-03
   -.386E+01 0.157E+01 0.144E+02   0.387E+01 -.157E+01 -.144E+02   -.580E-02 0.147E-02 -.414E-01   -.127E-03 -.315E-03 -.850E-04
   -.182E+02 0.105E+02 0.212E+02   0.183E+02 -.105E+02 -.211E+02   -.632E-01 0.365E-01 -.119E+00   0.562E-03 -.321E-03 -.505E-03
   -.351E+02 -.612E+01 0.459E+02   0.357E+02 0.638E+01 -.462E+02   -.635E+00 -.261E+00 0.343E+00   0.187E-03 0.323E-04 -.718E-03
   -.885E+01 -.299E+02 0.396E+02   0.899E+01 0.301E+02 -.396E+02   -.139E+00 -.215E+00 -.198E-01   -.184E-03 0.700E-03 -.705E-03
   -.308E+01 -.846E+01 0.198E+02   0.310E+01 0.848E+01 -.198E+02   -.253E-01 -.219E-01 -.192E-01   0.140E-03 0.117E-03 0.297E-03
   0.126E+01 -.729E+00 0.147E+02   -.126E+01 0.728E+00 -.147E+02   -.146E-02 0.846E-03 -.323E-01   -.629E-04 0.384E-04 0.229E-03
   -.329E+01 0.256E+01 0.144E+02   0.329E+01 -.257E+01 -.144E+02   -.417E-02 0.429E-02 -.414E-01   0.211E-03 0.272E-03 -.803E-04
   -.144E+02 -.136E+01 0.199E+02   0.145E+02 0.139E+01 -.199E+02   -.673E-01 -.319E-01 -.120E-01   0.190E-04 0.346E-03 -.477E-03
   -.144E+02 -.115E+02 0.247E+02   0.145E+02 0.115E+02 -.247E+02   -.916E-01 -.633E-01 -.461E-02   -.346E-03 0.708E-05 -.173E-03
   0.308E+01 0.846E+01 0.198E+02   -.310E+01 -.848E+01 -.198E+02   0.253E-01 0.219E-01 -.192E-01   -.140E-03 -.117E-03 0.297E-03
   0.144E+02 0.115E+02 0.247E+02   -.145E+02 -.115E+02 -.247E+02   0.916E-01 0.633E-01 -.461E-02   0.346E-03 -.707E-05 -.173E-03
   0.144E+02 0.136E+01 0.199E+02   -.145E+02 -.139E+01 -.199E+02   0.673E-01 0.319E-01 -.120E-01   -.190E-04 -.346E-03 -.477E-03
   0.329E+01 -.256E+01 0.144E+02   -.329E+01 0.257E+01 -.144E+02   0.417E-02 -.429E-02 -.414E-01   -.211E-03 -.272E-03 -.803E-04
   -.126E+01 0.729E+00 0.147E+02   0.126E+01 -.728E+00 -.147E+02   0.146E-02 -.846E-03 -.323E-01   0.629E-04 -.384E-04 0.229E-03
   -.126E+01 0.123E+02 0.184E+02   0.126E+01 -.123E+02 -.183E+02   -.450E-02 0.260E-01 -.540E-01   0.434E-03 -.810E-04 -.156E-03
   0.885E+01 0.299E+02 0.396E+02   -.899E+01 -.301E+02 -.396E+02   0.139E+00 0.215E+00 -.198E-01   0.184E-03 -.700E-03 -.705E-03
   0.351E+02 0.612E+01 0.459E+02   -.357E+02 -.638E+01 -.462E+02   0.635E+00 0.261E+00 0.343E+00   -.187E-03 -.323E-04 -.718E-03
   0.182E+02 -.105E+02 0.212E+02   -.183E+02 0.105E+02 -.211E+02   0.632E-01 -.365E-01 -.119E+00   -.562E-03 0.321E-03 -.505E-03
   0.386E+01 -.157E+01 0.144E+02   -.387E+01 0.157E+01 -.144E+02   0.580E-02 -.147E-02 -.414E-01   0.127E-03 0.315E-03 -.850E-04
   -.315E+01 0.342E+01 0.164E+02   0.318E+01 -.343E+01 -.164E+02   -.244E-01 0.938E-02 -.122E-02   0.354E-03 0.474E-04 -.316E-03
   -.171E+02 0.207E+02 0.269E+02   0.174E+02 -.209E+02 -.268E+02   -.221E+00 0.144E+00 -.593E-01   0.604E-04 -.291E-03 -.688E-03
   -.263E+02 0.152E+02 0.698E+02   0.273E+02 -.158E+02 -.719E+02   -.967E+00 0.558E+00 0.211E+01   0.611E-03 -.350E-03 -.804E-03
   0.123E+02 -.335E+02 0.459E+02   -.123E+02 0.341E+02 -.462E+02   0.913E-01 -.681E+00 0.343E+00   -.633E-04 0.176E-03 -.721E-03
   0.603E+01 -.132E+02 0.199E+02   -.604E+01 0.132E+02 -.199E+02   0.600E-02 -.742E-01 -.120E-01   0.292E-03 0.189E-03 -.484E-03
   -.616E+00 -.372E+01 0.150E+02   0.621E+00 0.374E+01 -.150E+02   -.518E-02 -.205E-01 -.107E-02   0.250E-04 0.999E-04 0.682E-04
   -.916E+01 0.529E+01 0.155E+02   0.918E+01 -.530E+01 -.155E+02   -.185E-01 0.107E-01 0.511E-03   -.289E-03 0.173E-03 -.114E-03
   -.265E+02 0.448E+01 0.269E+02   0.267E+02 -.460E+01 -.268E+02   -.236E+00 0.119E+00 -.593E-01   0.287E-03 0.987E-04 -.683E-03
   -.215E+02 -.226E+02 0.396E+02   0.216E+02 0.228E+02 -.396E+02   -.117E+00 -.228E+00 -.198E-01   0.704E-03 0.190E-03 -.703E-03
   -.274E+01 -.182E+02 0.247E+02   0.275E+01 0.183E+02 -.247E+02   -.906E-02 -.111E+00 -.461E-02   0.185E-03 -.295E-03 -.176E-03
   0.196E+01 -.113E+01 0.170E+02   -.197E+01 0.114E+01 -.170E+02   0.896E-02 -.517E-02 -.863E-02   0.209E-04 -.911E-05 0.370E-03
   0.291E+01 0.239E+01 0.150E+02   -.293E+01 -.241E+01 -.150E+02   0.152E-01 0.147E-01 -.107E-02   -.714E-04 -.639E-04 0.719E-04
   -.454E+01 0.102E+01 0.164E+02   0.456E+01 -.104E+01 -.164E+02   -.203E-01 0.164E-01 -.122E-02   0.139E-03 -.327E-03 -.307E-03
   -.113E+02 -.504E+01 0.184E+02   0.113E+02 0.505E+01 -.183E+02   -.248E-01 -.911E-02 -.540E-01   0.290E-03 -.337E-03 -.151E-03
   -.579E+01 -.690E+01 0.198E+02   0.580E+01 0.693E+01 -.198E+02   -.631E-02 -.328E-01 -.192E-01   0.336E-04 0.179E-03 0.298E-03
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.306E-03 0.866E+01   0.968E-13 0.000E+00 -.131E-12   0.213E-15 -.971E-16 -.866E+01   -.264E-07 0.175E-07 -.118E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85292      6.06055     12.33693         0.000000      0.000000      0.008469
      2.26136      6.76798     13.65545         0.000076      0.000131     -0.002982
      1.44449      5.35313     13.65545        -0.000076     -0.000131     -0.002982
      0.00057     -0.00033      9.95767         0.000081     -0.000047     -0.004829
     11.11184      2.13937      9.95939         0.000418     -0.001266     -0.002234
      9.87638      4.27879      9.97157        -0.000630      0.000602      0.000275
      8.64316      6.41802      9.97079         0.000443      0.001640      0.001094
     -4.93593      8.55507      9.96612        -0.000278     -0.000327     -0.001414
      2.47018     -0.00113      9.96612         0.000144      0.000404     -0.001414
      1.23472      2.13598      9.97114        -0.000201      0.001478      0.002710
     -0.00393      4.27469     10.00034        -0.000620     -0.001593     -0.001698
     -1.23828      6.41571     10.00607        -0.001028     -0.000615     -0.000413
     -2.46691      8.55461      9.97882         0.001943     -0.001122     -0.001211
      4.93847      0.00131      9.97079        -0.001199     -0.001204      0.001094
      3.70477      2.13645      9.97901        -0.001117     -0.000160     -0.000640
      2.47065      4.26300     10.04363         0.000706      0.000160     -0.001717
      1.22849      6.42107     10.11403         0.000839     -0.000485      0.013790
     -0.00026      8.56004     10.00607         0.000019      0.001198     -0.000413
      7.40770      0.00292      9.97157        -0.000837      0.000245      0.000275
      6.17319      2.14011      9.97171         0.000675     -0.002500     -0.001134
      4.94016      4.27814      9.99978         0.001229     -0.000709      0.004512
      3.71851      6.42436     10.04363         0.000215     -0.000692     -0.001717
      2.47110      8.56157     10.00034         0.001069      0.001333     -0.001698
      9.87823      0.00269      9.95939         0.001306      0.000271     -0.002234
      8.64240      2.14065      9.96246         0.000453     -0.000261     -0.003172
      7.40826      4.27932      9.97171         0.002502      0.000666     -0.001134
      6.17721      6.41886      9.97901        -0.000420      0.001047     -0.000640
      4.94260      8.55823      9.97114        -0.001380     -0.000564      0.002710
     -0.00039      1.42467      9.95939        -0.001306     -0.000271     -0.002234
     -1.23676      3.56288      9.97114         0.001380      0.000564      0.002710
     -2.47137      5.70224      9.97901         0.000420     -0.001047     -0.000640
     -3.70242      7.84178      9.97171        -0.002502     -0.000666     -0.001134
     -4.93655      9.98046      9.96246        -0.000453      0.000261     -0.003172
      2.47014      1.42444      9.97157         0.000837     -0.000245      0.000275
      1.23474      3.55954     10.00034        -0.001069     -0.001333     -0.001698
     -0.01266      5.69674     10.04363        -0.000215      0.000692     -0.001717
     -1.23432      7.84297      9.99978        -0.001229      0.000709      0.004512
     -2.46734      9.98100      9.97171        -0.000675      0.002500     -0.001134
      4.93938      1.42606      9.97079         0.001199      0.001204      0.001094
      3.70610      3.56107     10.00607        -0.000019     -0.001198     -0.000413
      2.47736      5.70004     10.11403        -0.000839      0.000485      0.013790
      1.23520      7.85810     10.04363        -0.000706     -0.000160     -0.001717
      0.00108      9.98466      9.97901         0.001117      0.000160     -0.000640
      7.40767      1.42850      9.96612        -0.000144     -0.000404     -0.001414
      6.17276      3.56650      9.97882        -0.001943      0.001122     -0.001211
      4.94413      5.70540     10.00607         0.001028      0.000615     -0.000413
      3.70977      7.84642     10.00034         0.000620      0.001593     -0.001698
      2.47113      9.98513      9.97114         0.000201     -0.001478      0.002710
      9.87728      1.42769      9.95767        -0.000081      0.000047     -0.004829
      8.64177      3.56604      9.96612         0.000278      0.000327     -0.001414
      7.40974      5.70486      9.97079        -0.000443     -0.001640      0.001094
      6.17652      7.84408      9.97157         0.000630     -0.000602      0.000275
      4.94105      9.98351      9.95939        -0.000418      0.001266     -0.002234
 -----------------------------------------------------------------------------------
    total drift:                               -0.001814      0.000306     -0.016364


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




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


    WAVPRE:  VPU time    1.98: CPU time    1.98
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.36: CPU time    1.36
    ORTHCH:  VPU time  188.85: CPU time   94.53
     LOOP+:  VPU time 5133.85: CPU time 2639.40


----------------------------------------- Iteration   23(   1)  ---------------------------------------


    POTLOK:  VPU time    9.35: CPU time    9.20
    SETDIJ:  VPU time    0.34: CPU time    0.35
    EDDAV :  VPU time 1530.40: CPU time  787.87
 BZINTS: Fermi energy: -3.080624;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  114.43: CPU time   57.66
    MIXING:  VPU time    0.16: CPU time    0.16
    ------------------------------------------
      LOOP:  VPU time 1654.74: CPU time  855.26

 eigenvalue-minimisations  :  4640
 total energy-change (2. order) :-0.4716449E+03  (-0.2010615E-04)
 number of electron  212.0000030 magnetization    0.0000000
 augmentation part     7.9609045 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.24599E-03    rms(broyden)= 0.24588E-03
  rms(prec ) = 0.26523E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34048.03634931
  -1/2 Hartree   DENC   =    -40948.05828273
  -V(xc)+E(xc)   XCENC  =       726.61721160
  PAW double counting   =      4093.00665171    -4131.38171825
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.30495478
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64488954 eV

  energy without entropy =     -471.64488954  energy(sigma->0) =     -471.64488954


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




----------------------------------------- Iteration   23(   2)  ---------------------------------------


    POTLOK:  VPU time    9.11: CPU time    9.10
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1343.81: CPU time  692.60
 BZINTS: Fermi energy: -3.080775;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1353.32: CPU time  702.09

 eigenvalue-minimisations  :  3832
 total energy-change (2. order) :-0.5241527E-06  (-0.4955365E-06)
 number of electron  212.0000030 magnetization    0.0000000
 augmentation part     7.9609045 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34048.03634931
  -1/2 Hartree   DENC   =    -40948.05088283
  -V(xc)+E(xc)   XCENC  =       726.61713516
  PAW double counting   =      4093.00428600    -4131.37928727
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.31234404
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64489007 eV

  energy without entropy =     -471.64489007  energy(sigma->0) =     -471.64489007


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




 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 -58.5345       2 -39.9760       3 -39.9760       4 -58.2445       5 -58.2490
       6 -58.2563       7 -58.2471       8 -58.2452       9 -58.2452      10 -58.2612
      11 -58.3160      12 -58.2929      13 -58.2502      14 -58.2471      15 -58.2580
      16 -58.4381      17 -58.7316      18 -58.2929      19 -58.2563      20 -58.2506
      21 -58.2777      22 -58.4381      23 -58.3161      24 -58.2491      25 -58.2439
      26 -58.2506      27 -58.2581      28 -58.2612      29 -58.2489      30 -58.2611
      31 -58.2579      32 -58.2506      33 -58.2439      34 -58.2562      35 -58.3159
      36 -58.4380      37 -58.2776      38 -58.2506      39 -58.2470      40 -58.2927
      41 -58.7315      42 -58.4381      43 -58.2579      44 -58.2451      45 -58.2501
      46 -58.2928      47 -58.3160      48 -58.2611      49 -58.2444      50 -58.2451
      51 -58.2470      52 -58.2562      53 -58.2490
 
 
 
 E-fermi :  -3.0808     XC(G=0):  -2.3484     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     -22.3575      1.00000
      2     -21.5376      1.00000
      3     -21.4081      1.00000
      4     -21.4071      1.00000
      5     -21.3758      1.00000
      6     -21.3667      1.00000
      7     -21.3595      1.00000
      8     -19.6468      1.00000
      9     -19.5732      1.00000
     10     -19.5661      1.00000
     11     -19.5594      1.00000
     12     -19.5411      1.00000
     13     -19.5384      1.00000
     14     -18.7287      1.00000
     15     -18.6804      1.00000
     16     -18.6730      1.00000
     17     -18.6595      1.00000
     18     -18.6440      1.00000
     19     -18.6423      1.00000
     20     -16.5863      1.00000
     21     -16.5270      1.00000
     22     -16.5245      1.00000
     23     -16.5118      1.00000
     24     -16.4873      1.00000
     25     -16.4857      1.00000
     26     -15.5591      1.00000
     27     -15.5270      1.00000
     28     -15.5263      1.00000
     29     -15.5007      1.00000
     30     -15.4957      1.00000
     31     -15.4897      1.00000
     32     -14.2065      1.00000
     33     -14.1810      1.00000
     34     -14.1681      1.00000
     35     -14.1658      1.00000
     36     -14.1604      1.00000
     37     -14.1493      1.00000
     38     -11.8828      1.00000
     39     -11.8082      1.00000
     40     -11.7928      1.00000
     41     -11.7923      1.00000
     42     -11.7892      1.00000
     43     -11.7834      1.00000
     44     -11.7055      1.00000
     45     -11.6986      1.00000
     46     -11.6733      1.00000
     47     -11.6586      1.00000
     48     -11.6583      1.00000
     49     -11.6511      1.00000
     50     -10.6726      1.00000
     51     -10.3295      1.00000
     52     -10.3215      1.00000
     53     -10.3062      1.00000
     54     -10.3048      1.00000
     55     -10.2916      1.00000
     56     -10.2787      1.00000
     57      -9.9259      1.00000
     58      -9.3734      1.00000
     59      -9.3600      1.00000
     60      -9.3010      1.00000
     61      -9.2927      1.00000
     62      -9.2860      1.00000
     63      -9.0922      1.00000
     64      -9.0549      1.00000
     65      -9.0499      1.00000
     66      -9.0272      1.00000
     67      -9.0071      1.00000
     68      -9.0024      1.00000
     69      -9.0009      1.00000
     70      -8.9960      1.00000
     71      -8.9921      1.00000
     72      -8.9727      1.00000
     73      -8.9655      1.00000
     74      -8.9542      1.00000
     75      -8.4922      1.00000
     76      -7.5144      1.00000
     77      -7.4102      1.00000
     78      -7.4101      1.00000
     79      -7.3995      1.00000
     80      -7.3842      1.00000
     81      -7.3641      1.00000
     82      -7.3421      1.00000
     83      -7.3109      1.00000
     84      -7.2688      1.00000
     85      -7.2073      1.00000
     86      -7.1807      1.00000
     87      -7.1805      1.00000
     88      -7.0760      1.00000
     89      -6.5080      1.00000
     90      -6.4615      1.00000
     91      -6.3559      1.00000
     92      -6.2943      1.00000
     93      -6.2883      1.00000
     94      -6.2871      1.00000
     95      -5.8972      1.00000
     96      -5.8852      1.00000
     97      -5.0429      1.00000
     98      -4.9363      1.00000
     99      -4.5383      1.00000
    100      -4.3412      1.00000
    101      -4.3183      1.00000
    102      -4.3175      1.00000
    103      -4.1154      1.00000
    104      -3.9112      1.00000
    105      -3.9010      1.00000
    106      -3.8292      1.00000
    107      -1.6820      0.00000
    108      -1.6673      0.00000
    109      -1.5372      0.00000
    110      -1.5358      0.00000
    111      -1.5230      0.00000
    112      -1.5094      0.00000
    113      -0.5878      0.00000
    114       0.1339      0.00000
    115       0.2071      0.00000
    116       0.3247      0.00000
    117       0.3262      0.00000
    118       0.3337      0.00000
    119       0.4946      0.00000
    120       0.5947      0.00000
    121       1.2583      0.00000
    122       1.2701      0.00000
    123       1.5235      0.00000
    124       1.7862      0.00000
    125       1.8032      0.00000
    126       1.8066      0.00000
    127       1.8112      0.00000
    128       1.9459      0.00000
    129       1.9788      0.00000
    130       2.0319      0.00000
    131       2.0455      0.00000
    132       2.0506      0.00000
    133       2.0552      0.00000
    134       2.0584      0.00000
    135       2.3052      0.00000
    136       2.3205      0.00000
    137       2.6115      0.00000
    138       2.6191      0.00000
    139       2.6471      0.00000
    140       2.7137      0.00000
    141       2.8615      0.00000
    142       3.0210      0.00000
    143       3.0500      0.00000
    144       3.0757      0.00000
    145       3.0779      0.00000
    146       3.0827      0.00000
    147       3.0970      0.00000
    148       3.2267      0.00000
    149       3.4388      0.00000
    150       3.5370      0.00000
    151       3.7850      0.00000
    152       3.9404      0.00000
    153       3.9405      0.00000
    154       3.9457      0.00000
    155       3.9522      0.00000
    156       3.9964      0.00000
    157       4.1765      0.00000
    158       4.2646      0.00000
    159       4.2854      0.00000
    160       4.2859      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3209      1.00000
      2     -21.7623      1.00000
      3     -21.5716      1.00000
      4     -21.5388      1.00000
      5     -21.2087      1.00000
      6     -21.1638      1.00000
      7     -20.9881      1.00000
      8     -20.1026      1.00000
      9     -20.0585      1.00000
     10     -19.5470      1.00000
     11     -19.5225      1.00000
     12     -19.3500      1.00000
     13     -19.0255      1.00000
     14     -18.9903      1.00000
     15     -18.9823      1.00000
     16     -18.9700      1.00000
     17     -18.2981      1.00000
     18     -18.2788      1.00000
     19     -17.9528      1.00000
     20     -17.0102      1.00000
     21     -16.9603      1.00000
     22     -16.8793      1.00000
     23     -16.8691      1.00000
     24     -16.4053      1.00000
     25     -16.3905      1.00000
     26     -15.5525      1.00000
     27     -15.5365      1.00000
     28     -15.1982      1.00000
     29     -15.1699      1.00000
     30     -15.1155      1.00000
     31     -15.0283      1.00000
     32     -15.0036      1.00000
     33     -14.6367      1.00000
     34     -14.6251      1.00000
     35     -13.6677      1.00000
     36     -13.6526      1.00000
     37     -13.1702      1.00000
     38     -12.5512      1.00000
     39     -12.5182      1.00000
     40     -12.3917      1.00000
     41     -12.3788      1.00000
     42     -12.0574      1.00000
     43     -12.0348      1.00000
     44     -11.6596      1.00000
     45     -11.6176      1.00000
     46     -11.1806      1.00000
     47     -11.1571      1.00000
     48     -10.9651      1.00000
     49     -10.9414      1.00000
     50     -10.8739      1.00000
     51     -10.8378      1.00000
     52     -10.6025      1.00000
     53     -10.0935      1.00000
     54     -10.0892      1.00000
     55     -10.0461      1.00000
     56      -9.9706      1.00000
     57      -9.6546      1.00000
     58      -9.6298      1.00000
     59      -9.5927      1.00000
     60      -9.5299      1.00000
     61      -9.5111      1.00000
     62      -9.4798      1.00000
     63      -9.2642      1.00000
     64      -9.2418      1.00000
     65      -9.2216      1.00000
     66      -9.1667      1.00000
     67      -9.0691      1.00000
     68      -9.0477      1.00000
     69      -9.0413      1.00000
     70      -8.8833      1.00000
     71      -8.8065      1.00000
     72      -8.5762      1.00000
     73      -8.5225      1.00000
     74      -8.4572      1.00000
     75      -8.0354      1.00000
     76      -7.8111      1.00000
     77      -7.8074      1.00000
     78      -7.7927      1.00000
     79      -7.7007      1.00000
     80      -7.6912      1.00000
     81      -7.3642      1.00000
     82      -7.2739      1.00000
     83      -7.2646      1.00000
     84      -7.2163      1.00000
     85      -7.1734      1.00000
     86      -7.0093      1.00000
     87      -6.9475      1.00000
     88      -6.7465      1.00000
     89      -6.6727      1.00000
     90      -6.5950      1.00000
     91      -6.5600      1.00000
     92      -6.0506      1.00000
     93      -6.0470      1.00000
     94      -6.0219      1.00000
     95      -5.9593      1.00000
     96      -5.7371      1.00000
     97      -5.1529      1.00000
     98      -4.9891      1.00000
     99      -4.7188      1.00000
    100      -4.6113      1.00000
    101      -4.4390      1.00000
    102      -4.3732      1.00000
    103      -4.1213      1.00000
    104      -3.8673      1.00000
    105      -3.8296      1.00000
    106      -3.7903      1.00000
    107      -1.7850      0.00000
    108      -1.7390      0.00000
    109      -1.3951      0.00000
    110      -1.3462      0.00000
    111      -1.2647      0.00000
    112      -1.2263      0.00000
    113      -0.7462      0.00000
    114      -0.3802      0.00000
    115      -0.2202      0.00000
    116      -0.0198      0.00000
    117       0.5889      0.00000
    118       0.7367      0.00000
    119       0.7647      0.00000
    120       1.0501      0.00000
    121       1.1415      0.00000
    122       1.2500      0.00000
    123       1.2690      0.00000
    124       1.4124      0.00000
    125       1.4784      0.00000
    126       1.5825      0.00000
    127       1.7530      0.00000
    128       1.8386      0.00000
    129       1.8949      0.00000
    130       1.9581      0.00000
    131       2.1006      0.00000
    132       2.2342      0.00000
    133       2.2479      0.00000
    134       2.2944      0.00000
    135       2.4883      0.00000
    136       2.6080      0.00000
    137       2.6302      0.00000
    138       2.7663      0.00000
    139       2.7871      0.00000
    140       2.8504      0.00000
    141       2.8637      0.00000
    142       2.8909      0.00000
    143       2.9536      0.00000
    144       3.0813      0.00000
    145       3.2792      0.00000
    146       3.2992      0.00000
    147       3.3670      0.00000
    148       3.3972      0.00000
    149       3.4622      0.00000
    150       3.5781      0.00000
    151       3.6268      0.00000
    152       3.6668      0.00000
    153       3.7042      0.00000
    154       3.9026      0.00000
    155       3.9354      0.00000
    156       3.9795      0.00000
    157       4.0787      0.00000
    158       4.1974      0.00000
    159       4.2404      0.00000
    160       4.2932      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2152      1.00000
      2     -22.0089      1.00000
      3     -21.6502      1.00000
      4     -21.6132      1.00000
      5     -20.9139      1.00000
      6     -20.8676      1.00000
      7     -20.5466      1.00000
      8     -20.5073      1.00000
      9     -20.4969      1.00000
     10     -19.9645      1.00000
     11     -19.4432      1.00000
     12     -19.4162      1.00000
     13     -19.2424      1.00000
     14     -19.2280      1.00000
     15     -18.3849      1.00000
     16     -18.3408      1.00000
     17     -17.8607      1.00000
     18     -17.8397      1.00000
     19     -17.6987      1.00000
     20     -17.6561      1.00000
     21     -17.3728      1.00000
     22     -17.3567      1.00000
     23     -17.2751      1.00000
     24     -16.4017      1.00000
     25     -16.3871      1.00000
     26     -15.8974      1.00000
     27     -15.3532      1.00000
     28     -15.3379      1.00000
     29     -15.0353      1.00000
     30     -15.0216      1.00000
     31     -14.8001      1.00000
     32     -14.7756      1.00000
     33     -14.2224      1.00000
     34     -14.1906      1.00000
     35     -13.3714      1.00000
     36     -13.3379      1.00000
     37     -13.1203      1.00000
     38     -13.1030      1.00000
     39     -12.9172      1.00000
     40     -12.9038      1.00000
     41     -12.5571      1.00000
     42     -12.5393      1.00000
     43     -12.1337      1.00000
     44     -11.5222      1.00000
     45     -11.4745      1.00000
     46     -11.2540      1.00000
     47     -11.2204      1.00000
     48     -11.0799      1.00000
     49     -10.6581      1.00000
     50     -10.5890      1.00000
     51     -10.5237      1.00000
     52     -10.2586      1.00000
     53     -10.2497      1.00000
     54     -10.1231      1.00000
     55     -10.0493      1.00000
     56     -10.0414      1.00000
     57      -9.7696      1.00000
     58      -9.7059      1.00000
     59      -9.6806      1.00000
     60      -9.6310      1.00000
     61      -9.6272      1.00000
     62      -9.5888      1.00000
     63      -9.2949      1.00000
     64      -9.2858      1.00000
     65      -9.2536      1.00000
     66      -9.0859      1.00000
     67      -8.8976      1.00000
     68      -8.8840      1.00000
     69      -8.7255      1.00000
     70      -8.5884      1.00000
     71      -8.5144      1.00000
     72      -8.3314      1.00000
     73      -8.3032      1.00000
     74      -8.2650      1.00000
     75      -8.2335      1.00000
     76      -8.1954      1.00000
     77      -8.1863      1.00000
     78      -8.1712      1.00000
     79      -8.0986      1.00000
     80      -7.6890      1.00000
     81      -7.3567      1.00000
     82      -7.3105      1.00000
     83      -7.2653      1.00000
     84      -7.1872      1.00000
     85      -7.1257      1.00000
     86      -7.0774      1.00000
     87      -6.9075      1.00000
     88      -6.8831      1.00000
     89      -6.5495      1.00000
     90      -6.4928      1.00000
     91      -6.2098      1.00000
     92      -6.0696      1.00000
     93      -5.9418      1.00000
     94      -5.7143      1.00000
     95      -5.6335      1.00000
     96      -5.4529      1.00000
     97      -5.3049      1.00000
     98      -5.2348      1.00000
     99      -5.1527      1.00000
    100      -5.1520      1.00000
    101      -4.5197      1.00000
    102      -4.4694      1.00000
    103      -4.1410      1.00000
    104      -3.8328      1.00000
    105      -3.7564      1.00000
    106      -3.6801      1.00000
    107      -1.8708      0.00000
    108      -1.8245      0.00000
    109      -1.2781      0.00000
    110      -1.0361      0.00000
    111      -1.0121      0.00000
    112      -0.7129      0.00000
    113      -0.6399      0.00000
    114      -0.5883      0.00000
    115      -0.5463      0.00000
    116      -0.2047      0.00000
    117       0.2525      0.00000
    118       0.2786      0.00000
    119       0.7588      0.00000
    120       0.9435      0.00000
    121       1.1329      0.00000
    122       1.2268      0.00000
    123       1.3187      0.00000
    124       1.4100      0.00000
    125       1.6004      0.00000
    126       1.6336      0.00000
    127       1.7004      0.00000
    128       1.8215      0.00000
    129       1.9172      0.00000
    130       2.0116      0.00000
    131       2.0942      0.00000
    132       2.3183      0.00000
    133       2.3958      0.00000
    134       2.4315      0.00000
    135       2.5372      0.00000
    136       2.6334      0.00000
    137       2.7468      0.00000
    138       2.8091      0.00000
    139       2.8317      0.00000
    140       2.8851      0.00000
    141       3.0394      0.00000
    142       3.0895      0.00000
    143       3.1851      0.00000
    144       3.2352      0.00000
    145       3.3811      0.00000
    146       3.4211      0.00000
    147       3.4798      0.00000
    148       3.5711      0.00000
    149       3.5982      0.00000
    150       3.6267      0.00000
    151       3.6493      0.00000
    152       3.7390      0.00000
    153       3.7650      0.00000
    154       3.7830      0.00000
    155       3.7967      0.00000
    156       3.8902      0.00000
    157       3.9760      0.00000
    158       4.0040      0.00000
    159       4.1741      0.00000
    160       4.2293      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2490      1.00000
      2     -21.8946      1.00000
      3     -21.8241      1.00000
      4     -21.3126      1.00000
      5     -21.2824      1.00000
      6     -20.7713      1.00000
      7     -20.7056      1.00000
      8     -20.5571      1.00000
      9     -20.0095      1.00000
     10     -20.0023      1.00000
     11     -19.6487      1.00000
     12     -19.6244      1.00000
     13     -18.9301      1.00000
     14     -18.9218      1.00000
     15     -18.5712      1.00000
     16     -18.5573      1.00000
     17     -18.3947      1.00000
     18     -17.6154      1.00000
     19     -17.5594      1.00000
     20     -17.5544      1.00000
     21     -17.5128      1.00000
     22     -17.0563      1.00000
     23     -17.0387      1.00000
     24     -16.8916      1.00000
     25     -15.9298      1.00000
     26     -15.8681      1.00000
     27     -15.5171      1.00000
     28     -15.5162      1.00000
     29     -15.2290      1.00000
     30     -14.7950      1.00000
     31     -14.7677      1.00000
     32     -14.5156      1.00000
     33     -14.4718      1.00000
     34     -14.1022      1.00000
     35     -14.0911      1.00000
     36     -13.0765      1.00000
     37     -13.0336      1.00000
     38     -12.9673      1.00000
     39     -12.9552      1.00000
     40     -12.6456      1.00000
     41     -12.6392      1.00000
     42     -12.2746      1.00000
     43     -12.2433      1.00000
     44     -11.5872      1.00000
     45     -11.5609      1.00000
     46     -11.5070      1.00000
     47     -10.9041      1.00000
     48     -10.8514      1.00000
     49     -10.6203      1.00000
     50     -10.5593      1.00000
     51     -10.4856      1.00000
     52     -10.4339      1.00000
     53     -10.4244      1.00000
     54     -10.3711      1.00000
     55     -10.2943      1.00000
     56     -10.0652      1.00000
     57      -9.8341      1.00000
     58      -9.5484      1.00000
     59      -9.4891      1.00000
     60      -9.4693      1.00000
     61      -9.3467      1.00000
     62      -9.3312      1.00000
     63      -9.3108      1.00000
     64      -9.3090      1.00000
     65      -9.2149      1.00000
     66      -9.1120      1.00000
     67      -9.0809      1.00000
     68      -9.0501      1.00000
     69      -8.8468      1.00000
     70      -8.7932      1.00000
     71      -8.7743      1.00000
     72      -8.5279      1.00000
     73      -8.4753      1.00000
     74      -8.2205      1.00000
     75      -8.1101      1.00000
     76      -8.0995      1.00000
     77      -7.8074      1.00000
     78      -7.7843      1.00000
     79      -7.7816      1.00000
     80      -7.6734      1.00000
     81      -7.6316      1.00000
     82      -7.6305      1.00000
     83      -7.4018      1.00000
     84      -7.3254      1.00000
     85      -7.2009      1.00000
     86      -6.8398      1.00000
     87      -6.8292      1.00000
     88      -6.6611      1.00000
     89      -6.5391      1.00000
     90      -6.3444      1.00000
     91      -6.3075      1.00000
     92      -6.1845      1.00000
     93      -6.1476      1.00000
     94      -5.9782      1.00000
     95      -5.5725      1.00000
     96      -5.4267      1.00000
     97      -5.2594      1.00000
     98      -5.2472      1.00000
     99      -5.1495      1.00000
    100      -4.6954      1.00000
    101      -4.6652      1.00000
    102      -4.3487      1.00000
    103      -4.3130      1.00000
    104      -3.9628      1.00000
    105      -3.8256      1.00000
    106      -3.3901      1.00000
    107      -2.2203      0.00000
    108      -1.3767      0.00000
    109      -1.2873      0.00000
    110      -1.1735      0.00000
    111      -1.0783      0.00000
    112      -0.8939      0.00000
    113      -0.7683      0.00000
    114      -0.7576      0.00000
    115      -0.2210      0.00000
    116       0.1134      0.00000
    117       0.2638      0.00000
    118       0.3460      0.00000
    119       0.7330      0.00000
    120       0.9050      0.00000
    121       0.9718      0.00000
    122       1.0927      0.00000
    123       1.2044      0.00000
    124       1.5295      0.00000
    125       1.5633      0.00000
    126       1.7107      0.00000
    127       1.8376      0.00000
    128       1.8620      0.00000
    129       1.9622      0.00000
    130       1.9976      0.00000
    131       2.1530      0.00000
    132       2.2672      0.00000
    133       2.4486      0.00000
    134       2.4579      0.00000
    135       2.5023      0.00000
    136       2.6660      0.00000
    137       2.6854      0.00000
    138       2.7316      0.00000
    139       2.7416      0.00000
    140       2.8891      0.00000
    141       3.0216      0.00000
    142       3.0803      0.00000
    143       3.1903      0.00000
    144       3.2450      0.00000
    145       3.2504      0.00000
    146       3.2632      0.00000
    147       3.3543      0.00000
    148       3.4764      0.00000
    149       3.5284      0.00000
    150       3.6970      0.00000
    151       3.7473      0.00000
    152       3.7707      0.00000
    153       3.8313      0.00000
    154       3.8754      0.00000
    155       3.9420      0.00000
    156       3.9835      0.00000
    157       4.0174      0.00000
    158       4.0362      0.00000
    159       4.0493      0.00000
    160       4.0858      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1430      1.00000
      2     -22.0478      1.00000
      3     -21.8877      1.00000
      4     -21.3356      1.00000
      5     -20.9827      1.00000
      6     -20.9443      1.00000
      7     -20.4342      1.00000
      8     -20.3917      1.00000
      9     -20.2275      1.00000
     10     -20.2062      1.00000
     11     -19.8900      1.00000
     12     -19.8224      1.00000
     13     -18.8156      1.00000
     14     -18.7445      1.00000
     15     -18.2906      1.00000
     16     -18.2374      1.00000
     17     -18.0866      1.00000
     18     -18.0665      1.00000
     19     -17.7623      1.00000
     20     -17.7200      1.00000
     21     -17.1895      1.00000
     22     -17.1704      1.00000
     23     -17.1003      1.00000
     24     -17.0645      1.00000
     25     -16.0388      1.00000
     26     -15.8236      1.00000
     27     -15.8005      1.00000
     28     -15.7652      1.00000
     29     -15.1743      1.00000
     30     -14.4916      1.00000
     31     -14.4591      1.00000
     32     -14.2184      1.00000
     33     -13.8958      1.00000
     34     -13.8907      1.00000
     35     -13.7565      1.00000
     36     -13.7363      1.00000
     37     -13.5522      1.00000
     38     -13.5037      1.00000
     39     -13.3010      1.00000
     40     -12.5652      1.00000
     41     -12.1254      1.00000
     42     -12.0666      1.00000
     43     -12.0107      1.00000
     44     -11.9522      1.00000
     45     -11.6112      1.00000
     46     -11.5886      1.00000
     47     -11.0850      1.00000
     48     -11.0524      1.00000
     49     -10.7527      1.00000
     50     -10.6644      1.00000
     51     -10.5256      1.00000
     52     -10.1492      1.00000
     53     -10.1391      1.00000
     54     -10.0971      1.00000
     55      -9.9535      1.00000
     56      -9.9482      1.00000
     57      -9.9182      1.00000
     58      -9.7380      1.00000
     59      -9.7319      1.00000
     60      -9.7010      1.00000
     61      -9.6911      1.00000
     62      -9.4283      1.00000
     63      -9.3637      1.00000
     64      -9.0851      1.00000
     65      -9.0072      1.00000
     66      -8.9752      1.00000
     67      -8.8884      1.00000
     68      -8.8122      1.00000
     69      -8.6582      1.00000
     70      -8.6356      1.00000
     71      -8.5771      1.00000
     72      -8.4786      1.00000
     73      -8.4679      1.00000
     74      -8.3985      1.00000
     75      -8.3948      1.00000
     76      -8.1848      1.00000
     77      -8.1136      1.00000
     78      -7.9782      1.00000
     79      -7.9146      1.00000
     80      -7.8473      1.00000
     81      -7.6172      1.00000
     82      -7.5308      1.00000
     83      -7.4693      1.00000
     84      -7.2576      1.00000
     85      -6.9346      1.00000
     86      -6.8582      1.00000
     87      -6.8116      1.00000
     88      -6.5735      1.00000
     89      -6.4671      1.00000
     90      -6.4206      1.00000
     91      -6.3573      1.00000
     92      -6.0517      1.00000
     93      -5.8776      1.00000
     94      -5.7534      1.00000
     95      -5.7223      1.00000
     96      -5.4766      1.00000
     97      -5.3461      1.00000
     98      -5.1807      1.00000
     99      -5.1567      1.00000
    100      -5.1550      1.00000
    101      -4.7068      1.00000
    102      -4.4398      1.00000
    103      -4.2532      1.00000
    104      -3.9940      1.00000
    105      -3.8244      1.00000
    106      -3.1566      1.00000
    107      -2.4634      0.00000
    108      -1.3794      0.00000
    109      -1.2411      0.00000
    110      -1.1465      0.00000
    111      -1.1149      0.00000
    112      -0.5648      0.00000
    113      -0.4348      0.00000
    114      -0.4301      0.00000
    115      -0.3102      0.00000
    116      -0.1907      0.00000
    117       0.0617      0.00000
    118       0.1162      0.00000
    119       0.5404      0.00000
    120       0.6838      0.00000
    121       0.8700      0.00000
    122       0.9660      0.00000
    123       1.1088      0.00000
    124       1.4939      0.00000
    125       1.6606      0.00000
    126       1.8022      0.00000
    127       1.8736      0.00000
    128       2.0924      0.00000
    129       2.1251      0.00000
    130       2.1913      0.00000
    131       2.2127      0.00000
    132       2.3401      0.00000
    133       2.3523      0.00000
    134       2.4853      0.00000
    135       2.5755      0.00000
    136       2.6683      0.00000
    137       2.8797      0.00000
    138       2.9373      0.00000
    139       2.9644      0.00000
    140       2.9885      0.00000
    141       3.0365      0.00000
    142       3.1497      0.00000
    143       3.1733      0.00000
    144       3.2401      0.00000
    145       3.2897      0.00000
    146       3.3323      0.00000
    147       3.3496      0.00000
    148       3.3793      0.00000
    149       3.4028      0.00000
    150       3.4948      0.00000
    151       3.5461      0.00000
    152       3.6243      0.00000
    153       3.6862      0.00000
    154       3.7068      0.00000
    155       3.7190      0.00000
    156       3.9195      0.00000
    157       3.9328      0.00000
    158       4.0545      0.00000
    159       4.0877      0.00000
    160       4.1983      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2488      1.00000
      2     -21.8962      1.00000
      3     -21.8225      1.00000
      4     -21.3172      1.00000
      5     -21.2785      1.00000
      6     -20.7724      1.00000
      7     -20.7035      1.00000
      8     -20.5555      1.00000
      9     -20.0236      1.00000
     10     -19.9914      1.00000
     11     -19.6511      1.00000
     12     -19.6201      1.00000
     13     -18.9441      1.00000
     14     -18.9095      1.00000
     15     -18.5848      1.00000
     16     -18.5474      1.00000
     17     -18.3928      1.00000
     18     -17.6025      1.00000
     19     -17.5712      1.00000
     20     -17.5419      1.00000
     21     -17.5091      1.00000
     22     -17.0750      1.00000
     23     -17.0282      1.00000
     24     -16.9007      1.00000
     25     -15.9460      1.00000
     26     -15.8520      1.00000
     27     -15.5339      1.00000
     28     -15.5074      1.00000
     29     -15.2098      1.00000
     30     -14.8143      1.00000
     31     -14.7621      1.00000
     32     -14.5100      1.00000
     33     -14.4683      1.00000
     34     -14.0968      1.00000
     35     -14.0937      1.00000
     36     -13.1049      1.00000
     37     -13.0305      1.00000
     38     -12.9571      1.00000
     39     -12.9500      1.00000
     40     -12.6561      1.00000
     41     -12.6278      1.00000
     42     -12.2749      1.00000
     43     -12.2478      1.00000
     44     -11.5732      1.00000
     45     -11.5539      1.00000
     46     -11.5013      1.00000
     47     -10.8781      1.00000
     48     -10.8690      1.00000
     49     -10.6803      1.00000
     50     -10.5254      1.00000
     51     -10.5207      1.00000
     52     -10.4341      1.00000
     53     -10.4168      1.00000
     54     -10.3707      1.00000
     55     -10.2885      1.00000
     56     -10.0609      1.00000
     57      -9.8328      1.00000
     58      -9.5588      1.00000
     59      -9.4849      1.00000
     60      -9.4438      1.00000
     61      -9.3561      1.00000
     62      -9.3396      1.00000
     63      -9.3082      1.00000
     64      -9.3033      1.00000
     65      -9.2068      1.00000
     66      -9.0997      1.00000
     67      -9.0687      1.00000
     68      -9.0495      1.00000
     69      -8.8496      1.00000
     70      -8.7973      1.00000
     71      -8.7782      1.00000
     72      -8.5274      1.00000
     73      -8.4965      1.00000
     74      -8.2252      1.00000
     75      -8.1297      1.00000
     76      -8.0932      1.00000
     77      -7.8067      1.00000
     78      -7.7677      1.00000
     79      -7.7406      1.00000
     80      -7.7025      1.00000
     81      -7.6356      1.00000
     82      -7.6250      1.00000
     83      -7.3884      1.00000
     84      -7.3447      1.00000
     85      -7.2202      1.00000
     86      -6.8436      1.00000
     87      -6.8210      1.00000
     88      -6.6393      1.00000
     89      -6.5299      1.00000
     90      -6.3415      1.00000
     91      -6.2734      1.00000
     92      -6.1956      1.00000
     93      -6.1321      1.00000
     94      -6.0209      1.00000
     95      -5.6355      1.00000
     96      -5.5089      1.00000
     97      -5.2980      1.00000
     98      -5.1564      1.00000
     99      -5.0403      1.00000
    100      -4.7252      1.00000
    101      -4.6857      1.00000
    102      -4.3675      1.00000
    103      -4.1833      1.00000
    104      -4.0070      1.00000
    105      -3.8239      1.00000
    106      -3.4844      1.00000
    107      -2.1648      0.00000
    108      -1.3839      0.00000
    109      -1.2355      0.00000
    110      -1.1851      0.00000
    111      -1.0146      0.00000
    112      -0.9559      0.00000
    113      -0.7975      0.00000
    114      -0.7524      0.00000
    115      -0.3678      0.00000
    116       0.2456      0.00000
    117       0.2766      0.00000
    118       0.3638      0.00000
    119       0.6988      0.00000
    120       0.8686      0.00000
    121       0.9658      0.00000
    122       1.1241      0.00000
    123       1.2343      0.00000
    124       1.4541      0.00000
    125       1.5553      0.00000
    126       1.7807      0.00000
    127       1.8497      0.00000
    128       1.8799      0.00000
    129       1.9849      0.00000
    130       2.0268      0.00000
    131       2.1902      0.00000
    132       2.2108      0.00000
    133       2.4018      0.00000
    134       2.4392      0.00000
    135       2.5468      0.00000
    136       2.6582      0.00000
    137       2.6845      0.00000
    138       2.7282      0.00000
    139       2.7655      0.00000
    140       2.8507      0.00000
    141       2.9653      0.00000
    142       3.0775      0.00000
    143       3.1833      0.00000
    144       3.2329      0.00000
    145       3.2530      0.00000
    146       3.2882      0.00000
    147       3.3264      0.00000
    148       3.4764      0.00000
    149       3.5091      0.00000
    150       3.7063      0.00000
    151       3.7211      0.00000
    152       3.7706      0.00000
    153       3.8591      0.00000
    154       3.8706      0.00000
    155       3.8968      0.00000
    156       3.9912      0.00000
    157       3.9974      0.00000
    158       4.0413      0.00000
    159       4.0585      0.00000
    160       4.0851      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3208      1.00000
      2     -21.7626      1.00000
      3     -21.5688      1.00000
      4     -21.5416      1.00000
      5     -21.2061      1.00000
      6     -21.1671      1.00000
      7     -20.9867      1.00000
      8     -20.0996      1.00000
      9     -20.0607      1.00000
     10     -19.5471      1.00000
     11     -19.5272      1.00000
     12     -19.3457      1.00000
     13     -19.0288      1.00000
     14     -18.9889      1.00000
     15     -18.9786      1.00000
     16     -18.9728      1.00000
     17     -18.2967      1.00000
     18     -18.2834      1.00000
     19     -17.9469      1.00000
     20     -17.0010      1.00000
     21     -16.9601      1.00000
     22     -16.8832      1.00000
     23     -16.8704      1.00000
     24     -16.4167      1.00000
     25     -16.3941      1.00000
     26     -15.5416      1.00000
     27     -15.5384      1.00000
     28     -15.1735      1.00000
     29     -15.1719      1.00000
     30     -15.1316      1.00000
     31     -15.0369      1.00000
     32     -15.0018      1.00000
     33     -14.6341      1.00000
     34     -14.6273      1.00000
     35     -13.6633      1.00000
     36     -13.6536      1.00000
     37     -13.1714      1.00000
     38     -12.5729      1.00000
     39     -12.5138      1.00000
     40     -12.3865      1.00000
     41     -12.3858      1.00000
     42     -12.0357      1.00000
     43     -12.0317      1.00000
     44     -11.6558      1.00000
     45     -11.6155      1.00000
     46     -11.2058      1.00000
     47     -11.1578      1.00000
     48     -10.9554      1.00000
     49     -10.9429      1.00000
     50     -10.8612      1.00000
     51     -10.8289      1.00000
     52     -10.6243      1.00000
     53     -10.1461      1.00000
     54     -10.0849      1.00000
     55     -10.0254      1.00000
     56      -9.9465      1.00000
     57      -9.6314      1.00000
     58      -9.6299      1.00000
     59      -9.6038      1.00000
     60      -9.5411      1.00000
     61      -9.5035      1.00000
     62      -9.4800      1.00000
     63      -9.2724      1.00000
     64      -9.2359      1.00000
     65      -9.2080      1.00000
     66      -9.1802      1.00000
     67      -9.0632      1.00000
     68      -9.0474      1.00000
     69      -9.0439      1.00000
     70      -8.8776      1.00000
     71      -8.8094      1.00000
     72      -8.5339      1.00000
     73      -8.5335      1.00000
     74      -8.4976      1.00000
     75      -8.0313      1.00000
     76      -7.8320      1.00000
     77      -7.7995      1.00000
     78      -7.7751      1.00000
     79      -7.7034      1.00000
     80      -7.6850      1.00000
     81      -7.4147      1.00000
     82      -7.2872      1.00000
     83      -7.2521      1.00000
     84      -7.2039      1.00000
     85      -7.0817      1.00000
     86      -7.0761      1.00000
     87      -6.9387      1.00000
     88      -6.7113      1.00000
     89      -6.6747      1.00000
     90      -6.6299      1.00000
     91      -6.5579      1.00000
     92      -6.0716      1.00000
     93      -6.0317      1.00000
     94      -6.0014      1.00000
     95      -5.9383      1.00000
     96      -5.7997      1.00000
     97      -5.1792      1.00000
     98      -4.8936      1.00000
     99      -4.7938      1.00000
    100      -4.6111      1.00000
    101      -4.5122      1.00000
    102      -4.1396      1.00000
    103      -4.0904      1.00000
    104      -3.9307      1.00000
    105      -3.9155      1.00000
    106      -3.8233      1.00000
    107      -1.7522      0.00000
    108      -1.6963      0.00000
    109      -1.4108      0.00000
    110      -1.3705      0.00000
    111      -1.2647      0.00000
    112      -1.2365      0.00000
    113      -0.6256      0.00000
    114      -0.5985      0.00000
    115      -0.1899      0.00000
    116       0.0408      0.00000
    117       0.5830      0.00000
    118       0.7412      0.00000
    119       0.8493      0.00000
    120       0.9282      0.00000
    121       1.1673      0.00000
    122       1.2107      0.00000
    123       1.2451      0.00000
    124       1.4181      0.00000
    125       1.5968      0.00000
    126       1.6354      0.00000
    127       1.7042      0.00000
    128       1.7996      0.00000
    129       1.9214      0.00000
    130       1.9400      0.00000
    131       2.1429      0.00000
    132       2.1725      0.00000
    133       2.2595      0.00000
    134       2.2993      0.00000
    135       2.5415      0.00000
    136       2.5587      0.00000
    137       2.6255      0.00000
    138       2.7587      0.00000
    139       2.7991      0.00000
    140       2.8368      0.00000
    141       2.8933      0.00000
    142       2.9385      0.00000
    143       3.0116      0.00000
    144       3.0276      0.00000
    145       3.0867      0.00000
    146       3.3050      0.00000
    147       3.3583      0.00000
    148       3.4099      0.00000
    149       3.4729      0.00000
    150       3.5959      0.00000
    151       3.6548      0.00000
    152       3.6567      0.00000
    153       3.6774      0.00000
    154       3.8877      0.00000
    155       3.9711      0.00000
    156       4.0178      0.00000
    157       4.0721      0.00000
    158       4.2314      0.00000
    159       4.2543      0.00000
    160       4.2627      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1421      1.00000
      2     -22.0493      1.00000
      3     -21.8872      1.00000
      4     -21.3366      1.00000
      5     -20.9778      1.00000
      6     -20.9483      1.00000
      7     -20.4290      1.00000
      8     -20.3971      1.00000
      9     -20.2169      1.00000
     10     -20.2152      1.00000
     11     -19.8888      1.00000
     12     -19.8251      1.00000
     13     -18.8186      1.00000
     14     -18.7479      1.00000
     15     -18.2666      1.00000
     16     -18.2525      1.00000
     17     -18.0810      1.00000
     18     -18.0746      1.00000
     19     -17.7466      1.00000
     20     -17.7309      1.00000
     21     -17.1955      1.00000
     22     -17.1724      1.00000
     23     -17.0892      1.00000
     24     -17.0689      1.00000
     25     -16.0549      1.00000
     26     -15.8095      1.00000
     27     -15.7999      1.00000
     28     -15.7785      1.00000
     29     -15.1596      1.00000
     30     -14.4864      1.00000
     31     -14.4651      1.00000
     32     -14.2046      1.00000
     33     -13.9168      1.00000
     34     -13.8872      1.00000
     35     -13.7596      1.00000
     36     -13.7394      1.00000
     37     -13.5368      1.00000
     38     -13.5111      1.00000
     39     -13.3025      1.00000
     40     -12.5776      1.00000
     41     -12.1017      1.00000
     42     -12.0776      1.00000
     43     -11.9994      1.00000
     44     -11.9519      1.00000
     45     -11.6058      1.00000
     46     -11.5984      1.00000
     47     -11.0844      1.00000
     48     -11.0618      1.00000
     49     -10.7323      1.00000
     50     -10.6656      1.00000
     51     -10.5577      1.00000
     52     -10.1403      1.00000
     53     -10.1358      1.00000
     54     -10.1018      1.00000
     55      -9.9664      1.00000
     56      -9.9260      1.00000
     57      -9.9227      1.00000
     58      -9.7509      1.00000
     59      -9.7297      1.00000
     60      -9.6980      1.00000
     61      -9.6953      1.00000
     62      -9.4004      1.00000
     63      -9.3899      1.00000
     64      -9.0683      1.00000
     65      -8.9829      1.00000
     66      -8.9818      1.00000
     67      -8.9060      1.00000
     68      -8.8130      1.00000
     69      -8.6496      1.00000
     70      -8.6343      1.00000
     71      -8.5465      1.00000
     72      -8.5024      1.00000
     73      -8.4833      1.00000
     74      -8.3949      1.00000
     75      -8.3830      1.00000
     76      -8.2103      1.00000
     77      -8.1017      1.00000
     78      -8.0076      1.00000
     79      -7.9016      1.00000
     80      -7.8432      1.00000
     81      -7.6221      1.00000
     82      -7.5336      1.00000
     83      -7.4576      1.00000
     84      -7.2541      1.00000
     85      -6.9429      1.00000
     86      -6.8689      1.00000
     87      -6.8105      1.00000
     88      -6.4786      1.00000
     89      -6.4686      1.00000
     90      -6.4102      1.00000
     91      -6.3605      1.00000
     92      -6.1877      1.00000
     93      -5.8587      1.00000
     94      -5.7382      1.00000
     95      -5.7119      1.00000
     96      -5.5229      1.00000
     97      -5.3294      1.00000
     98      -5.1727      1.00000
     99      -5.1680      1.00000
    100      -5.1346      1.00000
    101      -4.6960      1.00000
    102      -4.3482      1.00000
    103      -4.2772      1.00000
    104      -4.0268      1.00000
    105      -3.8254      1.00000
    106      -3.2335      1.00000
    107      -2.4057      0.00000
    108      -1.3459      0.00000
    109      -1.2438      0.00000
    110      -1.1536      0.00000
    111      -1.1087      0.00000
    112      -0.5839      0.00000
    113      -0.5211      0.00000
    114      -0.4340      0.00000
    115      -0.2749      0.00000
    116      -0.0719      0.00000
    117      -0.0115      0.00000
    118       0.0598      0.00000
    119       0.5837      0.00000
    120       0.7103      0.00000
    121       0.8088      0.00000
    122       0.9411      0.00000
    123       1.1808      0.00000
    124       1.5087      0.00000
    125       1.6180      0.00000
    126       1.8575      0.00000
    127       2.0039      0.00000
    128       2.0501      0.00000
    129       2.1117      0.00000
    130       2.1352      0.00000
    131       2.2552      0.00000
    132       2.2851      0.00000
    133       2.3459      0.00000
    134       2.4556      0.00000
    135       2.6084      0.00000
    136       2.6998      0.00000
    137       2.8188      0.00000
    138       2.9147      0.00000
    139       2.9424      0.00000
    140       3.0079      0.00000
    141       3.0439      0.00000
    142       3.1562      0.00000
    143       3.1568      0.00000
    144       3.2201      0.00000
    145       3.2990      0.00000
    146       3.3098      0.00000
    147       3.3527      0.00000
    148       3.3726      0.00000
    149       3.4159      0.00000
    150       3.4372      0.00000
    151       3.5542      0.00000
    152       3.6054      0.00000
    153       3.6933      0.00000
    154       3.7185      0.00000
    155       3.8466      0.00000
    156       3.8997      0.00000
    157       3.9314      0.00000
    158       3.9572      0.00000
    159       4.1467      0.00000
    160       4.1810      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2148      1.00000
      2     -22.0096      1.00000
      3     -21.6476      1.00000
      4     -21.6162      1.00000
      5     -20.9111      1.00000
      6     -20.8703      1.00000
      7     -20.5404      1.00000
      8     -20.5078      1.00000
      9     -20.5009      1.00000
     10     -19.9634      1.00000
     11     -19.4419      1.00000
     12     -19.4202      1.00000
     13     -19.2411      1.00000
     14     -19.2340      1.00000
     15     -18.3771      1.00000
     16     -18.3420      1.00000
     17     -17.8597      1.00000
     18     -17.8438      1.00000
     19     -17.6922      1.00000
     20     -17.6562      1.00000
     21     -17.3731      1.00000
     22     -17.3590      1.00000
     23     -17.2679      1.00000
     24     -16.4143      1.00000
     25     -16.3909      1.00000
     26     -15.9058      1.00000
     27     -15.3445      1.00000
     28     -15.3397      1.00000
     29     -15.0320      1.00000
     30     -15.0224      1.00000
     31     -14.7770      1.00000
     32     -14.7747      1.00000
     33     -14.2381      1.00000
     34     -14.1878      1.00000
     35     -13.3879      1.00000
     36     -13.3341      1.00000
     37     -13.1118      1.00000
     38     -13.1039      1.00000
     39     -12.9189      1.00000
     40     -12.9134      1.00000
     41     -12.5460      1.00000
     42     -12.5384      1.00000
     43     -12.1339      1.00000
     44     -11.5147      1.00000
     45     -11.4703      1.00000
     46     -11.2457      1.00000
     47     -11.2141      1.00000
     48     -11.0865      1.00000
     49     -10.7036      1.00000
     50     -10.5963      1.00000
     51     -10.5096      1.00000
     52     -10.2522      1.00000
     53     -10.2482      1.00000
     54     -10.1222      1.00000
     55     -10.0548      1.00000
     56     -10.0397      1.00000
     57      -9.7845      1.00000
     58      -9.6878      1.00000
     59      -9.6747      1.00000
     60      -9.6382      1.00000
     61      -9.6286      1.00000
     62      -9.5869      1.00000
     63      -9.2960      1.00000
     64      -9.2842      1.00000
     65      -9.2539      1.00000
     66      -9.0634      1.00000
     67      -8.8954      1.00000
     68      -8.8844      1.00000
     69      -8.7195      1.00000
     70      -8.5804      1.00000
     71      -8.5268      1.00000
     72      -8.3512      1.00000
     73      -8.3054      1.00000
     74      -8.2442      1.00000
     75      -8.2385      1.00000
     76      -8.1951      1.00000
     77      -8.1819      1.00000
     78      -8.1704      1.00000
     79      -8.1054      1.00000
     80      -7.6900      1.00000
     81      -7.4191      1.00000
     82      -7.3432      1.00000
     83      -7.2596      1.00000
     84      -7.1691      1.00000
     85      -7.1111      1.00000
     86      -7.0051      1.00000
     87      -6.9047      1.00000
     88      -6.8486      1.00000
     89      -6.5423      1.00000
     90      -6.4988      1.00000
     91      -6.2101      1.00000
     92      -6.2020      1.00000
     93      -5.8952      1.00000
     94      -5.6737      1.00000
     95      -5.6072      1.00000
     96      -5.5812      1.00000
     97      -5.2538      1.00000
     98      -5.2317      1.00000
     99      -5.1654      1.00000
    100      -5.1351      1.00000
    101      -4.5988      1.00000
    102      -4.2474      1.00000
    103      -4.0434      1.00000
    104      -3.8850      1.00000
    105      -3.8385      1.00000
    106      -3.8000      1.00000
    107      -1.8082      0.00000
    108      -1.7810      0.00000
    109      -1.2262      0.00000
    110      -1.1753      0.00000
    111      -0.9741      0.00000
    112      -0.7349      0.00000
    113      -0.6497      0.00000
    114      -0.5939      0.00000
    115      -0.5501      0.00000
    116      -0.1551      0.00000
    117       0.1768      0.00000
    118       0.2876      0.00000
    119       0.7046      0.00000
    120       0.9468      0.00000
    121       1.1695      0.00000
    122       1.2778      0.00000
    123       1.3427      0.00000
    124       1.5102      0.00000
    125       1.6076      0.00000
    126       1.6275      0.00000
    127       1.6915      0.00000
    128       1.7733      0.00000
    129       1.8590      0.00000
    130       2.0677      0.00000
    131       2.1585      0.00000
    132       2.3126      0.00000
    133       2.3927      0.00000
    134       2.4210      0.00000
    135       2.5528      0.00000
    136       2.6240      0.00000
    137       2.6864      0.00000
    138       2.7360      0.00000
    139       2.8041      0.00000
    140       2.9058      0.00000
    141       3.0478      0.00000
    142       3.0610      0.00000
    143       3.1803      0.00000
    144       3.2784      0.00000
    145       3.3787      0.00000
    146       3.4087      0.00000
    147       3.4567      0.00000
    148       3.5440      0.00000
    149       3.5701      0.00000
    150       3.6325      0.00000
    151       3.6615      0.00000
    152       3.7012      0.00000
    153       3.7778      0.00000
    154       3.7852      0.00000
    155       3.8218      0.00000
    156       3.8914      0.00000
    157       3.9022      0.00000
    158       3.9730      0.00000
    159       4.1878      0.00000
    160       4.2271      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3575      1.00000
      2     -21.5376      1.00000
      3     -21.4081      1.00000
      4     -21.4071      1.00000
      5     -21.3758      1.00000
      6     -21.3667      1.00000
      7     -21.3595      1.00000
      8     -19.6468      1.00000
      9     -19.5732      1.00000
     10     -19.5661      1.00000
     11     -19.5594      1.00000
     12     -19.5411      1.00000
     13     -19.5384      1.00000
     14     -18.7287      1.00000
     15     -18.6804      1.00000
     16     -18.6730      1.00000
     17     -18.6595      1.00000
     18     -18.6440      1.00000
     19     -18.6423      1.00000
     20     -16.5863      1.00000
     21     -16.5270      1.00000
     22     -16.5245      1.00000
     23     -16.5118      1.00000
     24     -16.4873      1.00000
     25     -16.4857      1.00000
     26     -15.5591      1.00000
     27     -15.5270      1.00000
     28     -15.5263      1.00000
     29     -15.5007      1.00000
     30     -15.4957      1.00000
     31     -15.4897      1.00000
     32     -14.2065      1.00000
     33     -14.1810      1.00000
     34     -14.1681      1.00000
     35     -14.1658      1.00000
     36     -14.1604      1.00000
     37     -14.1493      1.00000
     38     -11.8828      1.00000
     39     -11.8082      1.00000
     40     -11.7928      1.00000
     41     -11.7923      1.00000
     42     -11.7892      1.00000
     43     -11.7834      1.00000
     44     -11.7055      1.00000
     45     -11.6986      1.00000
     46     -11.6733      1.00000
     47     -11.6586      1.00000
     48     -11.6583      1.00000
     49     -11.6511      1.00000
     50     -10.6726      1.00000
     51     -10.3295      1.00000
     52     -10.3215      1.00000
     53     -10.3062      1.00000
     54     -10.3048      1.00000
     55     -10.2916      1.00000
     56     -10.2787      1.00000
     57      -9.9259      1.00000
     58      -9.3734      1.00000
     59      -9.3600      1.00000
     60      -9.3010      1.00000
     61      -9.2927      1.00000
     62      -9.2860      1.00000
     63      -9.0922      1.00000
     64      -9.0549      1.00000
     65      -9.0499      1.00000
     66      -9.0272      1.00000
     67      -9.0071      1.00000
     68      -9.0024      1.00000
     69      -9.0009      1.00000
     70      -8.9960      1.00000
     71      -8.9921      1.00000
     72      -8.9727      1.00000
     73      -8.9655      1.00000
     74      -8.9542      1.00000
     75      -8.4922      1.00000
     76      -7.5144      1.00000
     77      -7.4102      1.00000
     78      -7.4101      1.00000
     79      -7.3995      1.00000
     80      -7.3842      1.00000
     81      -7.3641      1.00000
     82      -7.3421      1.00000
     83      -7.3109      1.00000
     84      -7.2688      1.00000
     85      -7.2073      1.00000
     86      -7.1807      1.00000
     87      -7.1805      1.00000
     88      -7.0760      1.00000
     89      -6.5080      1.00000
     90      -6.4615      1.00000
     91      -6.3559      1.00000
     92      -6.2943      1.00000
     93      -6.2883      1.00000
     94      -6.2871      1.00000
     95      -5.8972      1.00000
     96      -5.8852      1.00000
     97      -5.0429      1.00000
     98      -4.9363      1.00000
     99      -4.5383      1.00000
    100      -4.3412      1.00000
    101      -4.3183      1.00000
    102      -4.3175      1.00000
    103      -4.1154      1.00000
    104      -3.9112      1.00000
    105      -3.9010      1.00000
    106      -3.8292      1.00000
    107      -1.6820      0.00000
    108      -1.6673      0.00000
    109      -1.5372      0.00000
    110      -1.5358      0.00000
    111      -1.5230      0.00000
    112      -1.5094      0.00000
    113      -0.5878      0.00000
    114       0.1339      0.00000
    115       0.2071      0.00000
    116       0.3247      0.00000
    117       0.3262      0.00000
    118       0.3337      0.00000
    119       0.4946      0.00000
    120       0.5947      0.00000
    121       1.2583      0.00000
    122       1.2701      0.00000
    123       1.5235      0.00000
    124       1.7862      0.00000
    125       1.8032      0.00000
    126       1.8066      0.00000
    127       1.8112      0.00000
    128       1.9459      0.00000
    129       1.9788      0.00000
    130       2.0319      0.00000
    131       2.0455      0.00000
    132       2.0506      0.00000
    133       2.0552      0.00000
    134       2.0584      0.00000
    135       2.3052      0.00000
    136       2.3205      0.00000
    137       2.6115      0.00000
    138       2.6191      0.00000
    139       2.6471      0.00000
    140       2.7137      0.00000
    141       2.8615      0.00000
    142       3.0210      0.00000
    143       3.0500      0.00000
    144       3.0757      0.00000
    145       3.0779      0.00000
    146       3.0827      0.00000
    147       3.0970      0.00000
    148       3.2267      0.00000
    149       3.4388      0.00000
    150       3.5370      0.00000
    151       3.7850      0.00000
    152       3.9404      0.00000
    153       3.9405      0.00000
    154       3.9457      0.00000
    155       3.9522      0.00000
    156       3.9964      0.00000
    157       4.1765      0.00000
    158       4.2646      0.00000
    159       4.2854      0.00000
    160       4.2859      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3209      1.00000
      2     -21.7623      1.00000
      3     -21.5716      1.00000
      4     -21.5388      1.00000
      5     -21.2087      1.00000
      6     -21.1638      1.00000
      7     -20.9881      1.00000
      8     -20.1026      1.00000
      9     -20.0585      1.00000
     10     -19.5470      1.00000
     11     -19.5225      1.00000
     12     -19.3500      1.00000
     13     -19.0255      1.00000
     14     -18.9903      1.00000
     15     -18.9823      1.00000
     16     -18.9700      1.00000
     17     -18.2981      1.00000
     18     -18.2788      1.00000
     19     -17.9528      1.00000
     20     -17.0102      1.00000
     21     -16.9603      1.00000
     22     -16.8793      1.00000
     23     -16.8691      1.00000
     24     -16.4053      1.00000
     25     -16.3905      1.00000
     26     -15.5525      1.00000
     27     -15.5365      1.00000
     28     -15.1982      1.00000
     29     -15.1699      1.00000
     30     -15.1155      1.00000
     31     -15.0283      1.00000
     32     -15.0036      1.00000
     33     -14.6367      1.00000
     34     -14.6251      1.00000
     35     -13.6677      1.00000
     36     -13.6526      1.00000
     37     -13.1702      1.00000
     38     -12.5512      1.00000
     39     -12.5182      1.00000
     40     -12.3917      1.00000
     41     -12.3788      1.00000
     42     -12.0574      1.00000
     43     -12.0348      1.00000
     44     -11.6596      1.00000
     45     -11.6176      1.00000
     46     -11.1806      1.00000
     47     -11.1571      1.00000
     48     -10.9651      1.00000
     49     -10.9414      1.00000
     50     -10.8739      1.00000
     51     -10.8378      1.00000
     52     -10.6025      1.00000
     53     -10.0935      1.00000
     54     -10.0892      1.00000
     55     -10.0461      1.00000
     56      -9.9706      1.00000
     57      -9.6546      1.00000
     58      -9.6298      1.00000
     59      -9.5927      1.00000
     60      -9.5299      1.00000
     61      -9.5111      1.00000
     62      -9.4798      1.00000
     63      -9.2642      1.00000
     64      -9.2418      1.00000
     65      -9.2216      1.00000
     66      -9.1667      1.00000
     67      -9.0691      1.00000
     68      -9.0477      1.00000
     69      -9.0413      1.00000
     70      -8.8833      1.00000
     71      -8.8065      1.00000
     72      -8.5762      1.00000
     73      -8.5225      1.00000
     74      -8.4572      1.00000
     75      -8.0354      1.00000
     76      -7.8111      1.00000
     77      -7.8074      1.00000
     78      -7.7927      1.00000
     79      -7.7007      1.00000
     80      -7.6912      1.00000
     81      -7.3642      1.00000
     82      -7.2739      1.00000
     83      -7.2646      1.00000
     84      -7.2163      1.00000
     85      -7.1734      1.00000
     86      -7.0093      1.00000
     87      -6.9475      1.00000
     88      -6.7465      1.00000
     89      -6.6727      1.00000
     90      -6.5950      1.00000
     91      -6.5600      1.00000
     92      -6.0506      1.00000
     93      -6.0470      1.00000
     94      -6.0219      1.00000
     95      -5.9593      1.00000
     96      -5.7371      1.00000
     97      -5.1529      1.00000
     98      -4.9891      1.00000
     99      -4.7188      1.00000
    100      -4.6113      1.00000
    101      -4.4390      1.00000
    102      -4.3732      1.00000
    103      -4.1213      1.00000
    104      -3.8673      1.00000
    105      -3.8296      1.00000
    106      -3.7903      1.00000
    107      -1.7850      0.00000
    108      -1.7390      0.00000
    109      -1.3951      0.00000
    110      -1.3462      0.00000
    111      -1.2647      0.00000
    112      -1.2263      0.00000
    113      -0.7462      0.00000
    114      -0.3802      0.00000
    115      -0.2202      0.00000
    116      -0.0198      0.00000
    117       0.5889      0.00000
    118       0.7367      0.00000
    119       0.7647      0.00000
    120       1.0501      0.00000
    121       1.1415      0.00000
    122       1.2500      0.00000
    123       1.2690      0.00000
    124       1.4124      0.00000
    125       1.4784      0.00000
    126       1.5825      0.00000
    127       1.7530      0.00000
    128       1.8386      0.00000
    129       1.8949      0.00000
    130       1.9581      0.00000
    131       2.1006      0.00000
    132       2.2342      0.00000
    133       2.2479      0.00000
    134       2.2944      0.00000
    135       2.4883      0.00000
    136       2.6080      0.00000
    137       2.6302      0.00000
    138       2.7663      0.00000
    139       2.7871      0.00000
    140       2.8504      0.00000
    141       2.8637      0.00000
    142       2.8909      0.00000
    143       2.9536      0.00000
    144       3.0813      0.00000
    145       3.2792      0.00000
    146       3.2992      0.00000
    147       3.3670      0.00000
    148       3.3972      0.00000
    149       3.4622      0.00000
    150       3.5781      0.00000
    151       3.6268      0.00000
    152       3.6668      0.00000
    153       3.7042      0.00000
    154       3.9026      0.00000
    155       3.9354      0.00000
    156       3.9795      0.00000
    157       4.0787      0.00000
    158       4.1975      0.00000
    159       4.2404      0.00000
    160       4.2932      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2152      1.00000
      2     -22.0089      1.00000
      3     -21.6502      1.00000
      4     -21.6132      1.00000
      5     -20.9139      1.00000
      6     -20.8676      1.00000
      7     -20.5466      1.00000
      8     -20.5073      1.00000
      9     -20.4969      1.00000
     10     -19.9645      1.00000
     11     -19.4432      1.00000
     12     -19.4162      1.00000
     13     -19.2424      1.00000
     14     -19.2280      1.00000
     15     -18.3849      1.00000
     16     -18.3408      1.00000
     17     -17.8607      1.00000
     18     -17.8397      1.00000
     19     -17.6987      1.00000
     20     -17.6561      1.00000
     21     -17.3728      1.00000
     22     -17.3567      1.00000
     23     -17.2751      1.00000
     24     -16.4017      1.00000
     25     -16.3871      1.00000
     26     -15.8974      1.00000
     27     -15.3532      1.00000
     28     -15.3379      1.00000
     29     -15.0353      1.00000
     30     -15.0216      1.00000
     31     -14.8001      1.00000
     32     -14.7756      1.00000
     33     -14.2224      1.00000
     34     -14.1906      1.00000
     35     -13.3714      1.00000
     36     -13.3379      1.00000
     37     -13.1203      1.00000
     38     -13.1030      1.00000
     39     -12.9172      1.00000
     40     -12.9038      1.00000
     41     -12.5571      1.00000
     42     -12.5393      1.00000
     43     -12.1337      1.00000
     44     -11.5222      1.00000
     45     -11.4745      1.00000
     46     -11.2540      1.00000
     47     -11.2204      1.00000
     48     -11.0799      1.00000
     49     -10.6581      1.00000
     50     -10.5890      1.00000
     51     -10.5237      1.00000
     52     -10.2586      1.00000
     53     -10.2497      1.00000
     54     -10.1231      1.00000
     55     -10.0493      1.00000
     56     -10.0414      1.00000
     57      -9.7696      1.00000
     58      -9.7059      1.00000
     59      -9.6806      1.00000
     60      -9.6310      1.00000
     61      -9.6272      1.00000
     62      -9.5888      1.00000
     63      -9.2949      1.00000
     64      -9.2858      1.00000
     65      -9.2536      1.00000
     66      -9.0859      1.00000
     67      -8.8976      1.00000
     68      -8.8840      1.00000
     69      -8.7255      1.00000
     70      -8.5884      1.00000
     71      -8.5144      1.00000
     72      -8.3314      1.00000
     73      -8.3032      1.00000
     74      -8.2650      1.00000
     75      -8.2335      1.00000
     76      -8.1954      1.00000
     77      -8.1863      1.00000
     78      -8.1712      1.00000
     79      -8.0986      1.00000
     80      -7.6890      1.00000
     81      -7.3567      1.00000
     82      -7.3105      1.00000
     83      -7.2653      1.00000
     84      -7.1872      1.00000
     85      -7.1257      1.00000
     86      -7.0774      1.00000
     87      -6.9075      1.00000
     88      -6.8831      1.00000
     89      -6.5495      1.00000
     90      -6.4928      1.00000
     91      -6.2098      1.00000
     92      -6.0696      1.00000
     93      -5.9418      1.00000
     94      -5.7143      1.00000
     95      -5.6335      1.00000
     96      -5.4529      1.00000
     97      -5.3049      1.00000
     98      -5.2348      1.00000
     99      -5.1527      1.00000
    100      -5.1520      1.00000
    101      -4.5197      1.00000
    102      -4.4694      1.00000
    103      -4.1410      1.00000
    104      -3.8328      1.00000
    105      -3.7564      1.00000
    106      -3.6801      1.00000
    107      -1.8708      0.00000
    108      -1.8245      0.00000
    109      -1.2781      0.00000
    110      -1.0361      0.00000
    111      -1.0121      0.00000
    112      -0.7129      0.00000
    113      -0.6399      0.00000
    114      -0.5883      0.00000
    115      -0.5463      0.00000
    116      -0.2047      0.00000
    117       0.2525      0.00000
    118       0.2786      0.00000
    119       0.7588      0.00000
    120       0.9435      0.00000
    121       1.1329      0.00000
    122       1.2268      0.00000
    123       1.3187      0.00000
    124       1.4100      0.00000
    125       1.6004      0.00000
    126       1.6336      0.00000
    127       1.7004      0.00000
    128       1.8215      0.00000
    129       1.9172      0.00000
    130       2.0116      0.00000
    131       2.0942      0.00000
    132       2.3183      0.00000
    133       2.3958      0.00000
    134       2.4315      0.00000
    135       2.5372      0.00000
    136       2.6334      0.00000
    137       2.7468      0.00000
    138       2.8091      0.00000
    139       2.8317      0.00000
    140       2.8851      0.00000
    141       3.0394      0.00000
    142       3.0895      0.00000
    143       3.1851      0.00000
    144       3.2352      0.00000
    145       3.3811      0.00000
    146       3.4211      0.00000
    147       3.4798      0.00000
    148       3.5711      0.00000
    149       3.5982      0.00000
    150       3.6267      0.00000
    151       3.6493      0.00000
    152       3.7390      0.00000
    153       3.7650      0.00000
    154       3.7830      0.00000
    155       3.7967      0.00000
    156       3.8902      0.00000
    157       3.9760      0.00000
    158       4.0040      0.00000
    159       4.1741      0.00000
    160       4.2293      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2490      1.00000
      2     -21.8946      1.00000
      3     -21.8241      1.00000
      4     -21.3126      1.00000
      5     -21.2824      1.00000
      6     -20.7713      1.00000
      7     -20.7056      1.00000
      8     -20.5571      1.00000
      9     -20.0095      1.00000
     10     -20.0023      1.00000
     11     -19.6487      1.00000
     12     -19.6244      1.00000
     13     -18.9301      1.00000
     14     -18.9218      1.00000
     15     -18.5712      1.00000
     16     -18.5573      1.00000
     17     -18.3947      1.00000
     18     -17.6154      1.00000
     19     -17.5594      1.00000
     20     -17.5544      1.00000
     21     -17.5128      1.00000
     22     -17.0563      1.00000
     23     -17.0387      1.00000
     24     -16.8916      1.00000
     25     -15.9298      1.00000
     26     -15.8681      1.00000
     27     -15.5171      1.00000
     28     -15.5162      1.00000
     29     -15.2290      1.00000
     30     -14.7950      1.00000
     31     -14.7677      1.00000
     32     -14.5156      1.00000
     33     -14.4718      1.00000
     34     -14.1022      1.00000
     35     -14.0911      1.00000
     36     -13.0765      1.00000
     37     -13.0336      1.00000
     38     -12.9673      1.00000
     39     -12.9552      1.00000
     40     -12.6456      1.00000
     41     -12.6392      1.00000
     42     -12.2746      1.00000
     43     -12.2433      1.00000
     44     -11.5872      1.00000
     45     -11.5609      1.00000
     46     -11.5070      1.00000
     47     -10.9041      1.00000
     48     -10.8514      1.00000
     49     -10.6203      1.00000
     50     -10.5593      1.00000
     51     -10.4856      1.00000
     52     -10.4339      1.00000
     53     -10.4244      1.00000
     54     -10.3711      1.00000
     55     -10.2943      1.00000
     56     -10.0652      1.00000
     57      -9.8341      1.00000
     58      -9.5484      1.00000
     59      -9.4891      1.00000
     60      -9.4693      1.00000
     61      -9.3467      1.00000
     62      -9.3312      1.00000
     63      -9.3108      1.00000
     64      -9.3090      1.00000
     65      -9.2149      1.00000
     66      -9.1120      1.00000
     67      -9.0809      1.00000
     68      -9.0501      1.00000
     69      -8.8468      1.00000
     70      -8.7932      1.00000
     71      -8.7743      1.00000
     72      -8.5279      1.00000
     73      -8.4753      1.00000
     74      -8.2205      1.00000
     75      -8.1101      1.00000
     76      -8.0995      1.00000
     77      -7.8074      1.00000
     78      -7.7843      1.00000
     79      -7.7816      1.00000
     80      -7.6734      1.00000
     81      -7.6316      1.00000
     82      -7.6305      1.00000
     83      -7.4018      1.00000
     84      -7.3254      1.00000
     85      -7.2009      1.00000
     86      -6.8398      1.00000
     87      -6.8292      1.00000
     88      -6.6611      1.00000
     89      -6.5391      1.00000
     90      -6.3444      1.00000
     91      -6.3075      1.00000
     92      -6.1845      1.00000
     93      -6.1476      1.00000
     94      -5.9782      1.00000
     95      -5.5725      1.00000
     96      -5.4267      1.00000
     97      -5.2594      1.00000
     98      -5.2472      1.00000
     99      -5.1495      1.00000
    100      -4.6954      1.00000
    101      -4.6652      1.00000
    102      -4.3487      1.00000
    103      -4.3130      1.00000
    104      -3.9628      1.00000
    105      -3.8256      1.00000
    106      -3.3901      1.00000
    107      -2.2203      0.00000
    108      -1.3767      0.00000
    109      -1.2873      0.00000
    110      -1.1735      0.00000
    111      -1.0783      0.00000
    112      -0.8939      0.00000
    113      -0.7683      0.00000
    114      -0.7576      0.00000
    115      -0.2210      0.00000
    116       0.1134      0.00000
    117       0.2638      0.00000
    118       0.3460      0.00000
    119       0.7330      0.00000
    120       0.9050      0.00000
    121       0.9718      0.00000
    122       1.0927      0.00000
    123       1.2044      0.00000
    124       1.5295      0.00000
    125       1.5633      0.00000
    126       1.7107      0.00000
    127       1.8376      0.00000
    128       1.8620      0.00000
    129       1.9622      0.00000
    130       1.9976      0.00000
    131       2.1530      0.00000
    132       2.2672      0.00000
    133       2.4486      0.00000
    134       2.4579      0.00000
    135       2.5023      0.00000
    136       2.6660      0.00000
    137       2.6854      0.00000
    138       2.7316      0.00000
    139       2.7416      0.00000
    140       2.8891      0.00000
    141       3.0216      0.00000
    142       3.0803      0.00000
    143       3.1903      0.00000
    144       3.2450      0.00000
    145       3.2504      0.00000
    146       3.2632      0.00000
    147       3.3543      0.00000
    148       3.4764      0.00000
    149       3.5284      0.00000
    150       3.6970      0.00000
    151       3.7473      0.00000
    152       3.7707      0.00000
    153       3.8313      0.00000
    154       3.8754      0.00000
    155       3.9420      0.00000
    156       3.9835      0.00000
    157       4.0174      0.00000
    158       4.0362      0.00000
    159       4.0493      0.00000
    160       4.0858      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1430      1.00000
      2     -22.0478      1.00000
      3     -21.8877      1.00000
      4     -21.3356      1.00000
      5     -20.9827      1.00000
      6     -20.9443      1.00000
      7     -20.4342      1.00000
      8     -20.3917      1.00000
      9     -20.2275      1.00000
     10     -20.2062      1.00000
     11     -19.8900      1.00000
     12     -19.8224      1.00000
     13     -18.8156      1.00000
     14     -18.7445      1.00000
     15     -18.2906      1.00000
     16     -18.2374      1.00000
     17     -18.0866      1.00000
     18     -18.0665      1.00000
     19     -17.7623      1.00000
     20     -17.7200      1.00000
     21     -17.1895      1.00000
     22     -17.1704      1.00000
     23     -17.1003      1.00000
     24     -17.0645      1.00000
     25     -16.0388      1.00000
     26     -15.8236      1.00000
     27     -15.8005      1.00000
     28     -15.7652      1.00000
     29     -15.1743      1.00000
     30     -14.4916      1.00000
     31     -14.4591      1.00000
     32     -14.2184      1.00000
     33     -13.8958      1.00000
     34     -13.8907      1.00000
     35     -13.7565      1.00000
     36     -13.7363      1.00000
     37     -13.5522      1.00000
     38     -13.5037      1.00000
     39     -13.3010      1.00000
     40     -12.5652      1.00000
     41     -12.1254      1.00000
     42     -12.0666      1.00000
     43     -12.0107      1.00000
     44     -11.9522      1.00000
     45     -11.6112      1.00000
     46     -11.5886      1.00000
     47     -11.0850      1.00000
     48     -11.0524      1.00000
     49     -10.7527      1.00000
     50     -10.6644      1.00000
     51     -10.5256      1.00000
     52     -10.1492      1.00000
     53     -10.1391      1.00000
     54     -10.0971      1.00000
     55      -9.9535      1.00000
     56      -9.9482      1.00000
     57      -9.9182      1.00000
     58      -9.7380      1.00000
     59      -9.7319      1.00000
     60      -9.7010      1.00000
     61      -9.6911      1.00000
     62      -9.4283      1.00000
     63      -9.3637      1.00000
     64      -9.0851      1.00000
     65      -9.0072      1.00000
     66      -8.9752      1.00000
     67      -8.8884      1.00000
     68      -8.8122      1.00000
     69      -8.6582      1.00000
     70      -8.6356      1.00000
     71      -8.5771      1.00000
     72      -8.4786      1.00000
     73      -8.4679      1.00000
     74      -8.3985      1.00000
     75      -8.3948      1.00000
     76      -8.1848      1.00000
     77      -8.1136      1.00000
     78      -7.9782      1.00000
     79      -7.9146      1.00000
     80      -7.8473      1.00000
     81      -7.6172      1.00000
     82      -7.5308      1.00000
     83      -7.4693      1.00000
     84      -7.2576      1.00000
     85      -6.9346      1.00000
     86      -6.8582      1.00000
     87      -6.8116      1.00000
     88      -6.5735      1.00000
     89      -6.4671      1.00000
     90      -6.4206      1.00000
     91      -6.3573      1.00000
     92      -6.0517      1.00000
     93      -5.8776      1.00000
     94      -5.7534      1.00000
     95      -5.7223      1.00000
     96      -5.4766      1.00000
     97      -5.3461      1.00000
     98      -5.1807      1.00000
     99      -5.1567      1.00000
    100      -5.1550      1.00000
    101      -4.7068      1.00000
    102      -4.4398      1.00000
    103      -4.2532      1.00000
    104      -3.9940      1.00000
    105      -3.8244      1.00000
    106      -3.1566      1.00000
    107      -2.4634      0.00000
    108      -1.3794      0.00000
    109      -1.2411      0.00000
    110      -1.1465      0.00000
    111      -1.1149      0.00000
    112      -0.5648      0.00000
    113      -0.4348      0.00000
    114      -0.4301      0.00000
    115      -0.3102      0.00000
    116      -0.1907      0.00000
    117       0.0617      0.00000
    118       0.1162      0.00000
    119       0.5404      0.00000
    120       0.6838      0.00000
    121       0.8700      0.00000
    122       0.9660      0.00000
    123       1.1088      0.00000
    124       1.4939      0.00000
    125       1.6606      0.00000
    126       1.8022      0.00000
    127       1.8736      0.00000
    128       2.0924      0.00000
    129       2.1251      0.00000
    130       2.1913      0.00000
    131       2.2127      0.00000
    132       2.3401      0.00000
    133       2.3523      0.00000
    134       2.4853      0.00000
    135       2.5755      0.00000
    136       2.6683      0.00000
    137       2.8797      0.00000
    138       2.9373      0.00000
    139       2.9644      0.00000
    140       2.9885      0.00000
    141       3.0365      0.00000
    142       3.1497      0.00000
    143       3.1733      0.00000
    144       3.2401      0.00000
    145       3.2897      0.00000
    146       3.3323      0.00000
    147       3.3496      0.00000
    148       3.3793      0.00000
    149       3.4028      0.00000
    150       3.4948      0.00000
    151       3.5461      0.00000
    152       3.6243      0.00000
    153       3.6862      0.00000
    154       3.7068      0.00000
    155       3.7190      0.00000
    156       3.9195      0.00000
    157       3.9328      0.00000
    158       4.0545      0.00000
    159       4.0877      0.00000
    160       4.1983      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2488      1.00000
      2     -21.8962      1.00000
      3     -21.8225      1.00000
      4     -21.3172      1.00000
      5     -21.2785      1.00000
      6     -20.7724      1.00000
      7     -20.7035      1.00000
      8     -20.5555      1.00000
      9     -20.0236      1.00000
     10     -19.9914      1.00000
     11     -19.6511      1.00000
     12     -19.6201      1.00000
     13     -18.9441      1.00000
     14     -18.9095      1.00000
     15     -18.5848      1.00000
     16     -18.5474      1.00000
     17     -18.3928      1.00000
     18     -17.6025      1.00000
     19     -17.5712      1.00000
     20     -17.5419      1.00000
     21     -17.5091      1.00000
     22     -17.0750      1.00000
     23     -17.0282      1.00000
     24     -16.9007      1.00000
     25     -15.9460      1.00000
     26     -15.8520      1.00000
     27     -15.5339      1.00000
     28     -15.5074      1.00000
     29     -15.2098      1.00000
     30     -14.8143      1.00000
     31     -14.7621      1.00000
     32     -14.5100      1.00000
     33     -14.4683      1.00000
     34     -14.0968      1.00000
     35     -14.0937      1.00000
     36     -13.1049      1.00000
     37     -13.0305      1.00000
     38     -12.9571      1.00000
     39     -12.9500      1.00000
     40     -12.6561      1.00000
     41     -12.6278      1.00000
     42     -12.2749      1.00000
     43     -12.2478      1.00000
     44     -11.5732      1.00000
     45     -11.5539      1.00000
     46     -11.5013      1.00000
     47     -10.8781      1.00000
     48     -10.8690      1.00000
     49     -10.6803      1.00000
     50     -10.5254      1.00000
     51     -10.5207      1.00000
     52     -10.4341      1.00000
     53     -10.4168      1.00000
     54     -10.3707      1.00000
     55     -10.2885      1.00000
     56     -10.0609      1.00000
     57      -9.8328      1.00000
     58      -9.5588      1.00000
     59      -9.4849      1.00000
     60      -9.4438      1.00000
     61      -9.3561      1.00000
     62      -9.3396      1.00000
     63      -9.3082      1.00000
     64      -9.3033      1.00000
     65      -9.2068      1.00000
     66      -9.0997      1.00000
     67      -9.0687      1.00000
     68      -9.0495      1.00000
     69      -8.8496      1.00000
     70      -8.7973      1.00000
     71      -8.7782      1.00000
     72      -8.5274      1.00000
     73      -8.4965      1.00000
     74      -8.2252      1.00000
     75      -8.1297      1.00000
     76      -8.0932      1.00000
     77      -7.8067      1.00000
     78      -7.7677      1.00000
     79      -7.7406      1.00000
     80      -7.7025      1.00000
     81      -7.6356      1.00000
     82      -7.6250      1.00000
     83      -7.3884      1.00000
     84      -7.3447      1.00000
     85      -7.2202      1.00000
     86      -6.8436      1.00000
     87      -6.8210      1.00000
     88      -6.6393      1.00000
     89      -6.5299      1.00000
     90      -6.3415      1.00000
     91      -6.2734      1.00000
     92      -6.1956      1.00000
     93      -6.1321      1.00000
     94      -6.0209      1.00000
     95      -5.6355      1.00000
     96      -5.5089      1.00000
     97      -5.2980      1.00000
     98      -5.1564      1.00000
     99      -5.0403      1.00000
    100      -4.7252      1.00000
    101      -4.6857      1.00000
    102      -4.3675      1.00000
    103      -4.1833      1.00000
    104      -4.0070      1.00000
    105      -3.8239      1.00000
    106      -3.4844      1.00000
    107      -2.1648      0.00000
    108      -1.3839      0.00000
    109      -1.2355      0.00000
    110      -1.1851      0.00000
    111      -1.0146      0.00000
    112      -0.9559      0.00000
    113      -0.7975      0.00000
    114      -0.7524      0.00000
    115      -0.3678      0.00000
    116       0.2456      0.00000
    117       0.2766      0.00000
    118       0.3638      0.00000
    119       0.6988      0.00000
    120       0.8686      0.00000
    121       0.9658      0.00000
    122       1.1241      0.00000
    123       1.2343      0.00000
    124       1.4541      0.00000
    125       1.5553      0.00000
    126       1.7807      0.00000
    127       1.8497      0.00000
    128       1.8799      0.00000
    129       1.9849      0.00000
    130       2.0268      0.00000
    131       2.1902      0.00000
    132       2.2108      0.00000
    133       2.4018      0.00000
    134       2.4392      0.00000
    135       2.5468      0.00000
    136       2.6582      0.00000
    137       2.6845      0.00000
    138       2.7282      0.00000
    139       2.7655      0.00000
    140       2.8507      0.00000
    141       2.9653      0.00000
    142       3.0775      0.00000
    143       3.1834      0.00000
    144       3.2329      0.00000
    145       3.2530      0.00000
    146       3.2882      0.00000
    147       3.3264      0.00000
    148       3.4764      0.00000
    149       3.5091      0.00000
    150       3.7063      0.00000
    151       3.7211      0.00000
    152       3.7706      0.00000
    153       3.8591      0.00000
    154       3.8706      0.00000
    155       3.8968      0.00000
    156       3.9912      0.00000
    157       3.9974      0.00000
    158       4.0413      0.00000
    159       4.0586      0.00000
    160       4.0851      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3208      1.00000
      2     -21.7626      1.00000
      3     -21.5688      1.00000
      4     -21.5416      1.00000
      5     -21.2061      1.00000
      6     -21.1671      1.00000
      7     -20.9867      1.00000
      8     -20.0996      1.00000
      9     -20.0607      1.00000
     10     -19.5471      1.00000
     11     -19.5272      1.00000
     12     -19.3457      1.00000
     13     -19.0288      1.00000
     14     -18.9889      1.00000
     15     -18.9786      1.00000
     16     -18.9728      1.00000
     17     -18.2967      1.00000
     18     -18.2834      1.00000
     19     -17.9469      1.00000
     20     -17.0010      1.00000
     21     -16.9601      1.00000
     22     -16.8832      1.00000
     23     -16.8704      1.00000
     24     -16.4167      1.00000
     25     -16.3941      1.00000
     26     -15.5416      1.00000
     27     -15.5384      1.00000
     28     -15.1735      1.00000
     29     -15.1719      1.00000
     30     -15.1316      1.00000
     31     -15.0369      1.00000
     32     -15.0018      1.00000
     33     -14.6341      1.00000
     34     -14.6273      1.00000
     35     -13.6633      1.00000
     36     -13.6536      1.00000
     37     -13.1714      1.00000
     38     -12.5729      1.00000
     39     -12.5138      1.00000
     40     -12.3865      1.00000
     41     -12.3858      1.00000
     42     -12.0357      1.00000
     43     -12.0317      1.00000
     44     -11.6558      1.00000
     45     -11.6155      1.00000
     46     -11.2058      1.00000
     47     -11.1578      1.00000
     48     -10.9554      1.00000
     49     -10.9429      1.00000
     50     -10.8612      1.00000
     51     -10.8289      1.00000
     52     -10.6243      1.00000
     53     -10.1461      1.00000
     54     -10.0849      1.00000
     55     -10.0254      1.00000
     56      -9.9465      1.00000
     57      -9.6314      1.00000
     58      -9.6299      1.00000
     59      -9.6038      1.00000
     60      -9.5411      1.00000
     61      -9.5035      1.00000
     62      -9.4800      1.00000
     63      -9.2724      1.00000
     64      -9.2359      1.00000
     65      -9.2080      1.00000
     66      -9.1802      1.00000
     67      -9.0632      1.00000
     68      -9.0474      1.00000
     69      -9.0439      1.00000
     70      -8.8776      1.00000
     71      -8.8094      1.00000
     72      -8.5339      1.00000
     73      -8.5335      1.00000
     74      -8.4976      1.00000
     75      -8.0313      1.00000
     76      -7.8320      1.00000
     77      -7.7995      1.00000
     78      -7.7751      1.00000
     79      -7.7034      1.00000
     80      -7.6850      1.00000
     81      -7.4147      1.00000
     82      -7.2872      1.00000
     83      -7.2521      1.00000
     84      -7.2039      1.00000
     85      -7.0817      1.00000
     86      -7.0761      1.00000
     87      -6.9387      1.00000
     88      -6.7113      1.00000
     89      -6.6747      1.00000
     90      -6.6299      1.00000
     91      -6.5579      1.00000
     92      -6.0716      1.00000
     93      -6.0317      1.00000
     94      -6.0014      1.00000
     95      -5.9383      1.00000
     96      -5.7997      1.00000
     97      -5.1792      1.00000
     98      -4.8936      1.00000
     99      -4.7938      1.00000
    100      -4.6111      1.00000
    101      -4.5122      1.00000
    102      -4.1396      1.00000
    103      -4.0904      1.00000
    104      -3.9307      1.00000
    105      -3.9155      1.00000
    106      -3.8233      1.00000
    107      -1.7522      0.00000
    108      -1.6963      0.00000
    109      -1.4108      0.00000
    110      -1.3705      0.00000
    111      -1.2647      0.00000
    112      -1.2365      0.00000
    113      -0.6256      0.00000
    114      -0.5985      0.00000
    115      -0.1899      0.00000
    116       0.0408      0.00000
    117       0.5830      0.00000
    118       0.7412      0.00000
    119       0.8493      0.00000
    120       0.9282      0.00000
    121       1.1673      0.00000
    122       1.2107      0.00000
    123       1.2451      0.00000
    124       1.4181      0.00000
    125       1.5968      0.00000
    126       1.6354      0.00000
    127       1.7042      0.00000
    128       1.7996      0.00000
    129       1.9214      0.00000
    130       1.9400      0.00000
    131       2.1429      0.00000
    132       2.1725      0.00000
    133       2.2595      0.00000
    134       2.2993      0.00000
    135       2.5415      0.00000
    136       2.5587      0.00000
    137       2.6255      0.00000
    138       2.7587      0.00000
    139       2.7991      0.00000
    140       2.8368      0.00000
    141       2.8933      0.00000
    142       2.9385      0.00000
    143       3.0116      0.00000
    144       3.0276      0.00000
    145       3.0867      0.00000
    146       3.3051      0.00000
    147       3.3583      0.00000
    148       3.4099      0.00000
    149       3.4729      0.00000
    150       3.5959      0.00000
    151       3.6548      0.00000
    152       3.6567      0.00000
    153       3.6774      0.00000
    154       3.8877      0.00000
    155       3.9711      0.00000
    156       4.0178      0.00000
    157       4.0721      0.00000
    158       4.2314      0.00000
    159       4.2543      0.00000
    160       4.2627      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1421      1.00000
      2     -22.0493      1.00000
      3     -21.8872      1.00000
      4     -21.3366      1.00000
      5     -20.9778      1.00000
      6     -20.9483      1.00000
      7     -20.4290      1.00000
      8     -20.3971      1.00000
      9     -20.2169      1.00000
     10     -20.2152      1.00000
     11     -19.8888      1.00000
     12     -19.8251      1.00000
     13     -18.8186      1.00000
     14     -18.7479      1.00000
     15     -18.2666      1.00000
     16     -18.2525      1.00000
     17     -18.0810      1.00000
     18     -18.0746      1.00000
     19     -17.7466      1.00000
     20     -17.7309      1.00000
     21     -17.1955      1.00000
     22     -17.1724      1.00000
     23     -17.0892      1.00000
     24     -17.0689      1.00000
     25     -16.0549      1.00000
     26     -15.8095      1.00000
     27     -15.7999      1.00000
     28     -15.7785      1.00000
     29     -15.1596      1.00000
     30     -14.4864      1.00000
     31     -14.4651      1.00000
     32     -14.2046      1.00000
     33     -13.9168      1.00000
     34     -13.8872      1.00000
     35     -13.7596      1.00000
     36     -13.7394      1.00000
     37     -13.5368      1.00000
     38     -13.5111      1.00000
     39     -13.3025      1.00000
     40     -12.5776      1.00000
     41     -12.1017      1.00000
     42     -12.0776      1.00000
     43     -11.9994      1.00000
     44     -11.9519      1.00000
     45     -11.6058      1.00000
     46     -11.5984      1.00000
     47     -11.0844      1.00000
     48     -11.0618      1.00000
     49     -10.7323      1.00000
     50     -10.6656      1.00000
     51     -10.5577      1.00000
     52     -10.1403      1.00000
     53     -10.1358      1.00000
     54     -10.1018      1.00000
     55      -9.9664      1.00000
     56      -9.9260      1.00000
     57      -9.9227      1.00000
     58      -9.7509      1.00000
     59      -9.7297      1.00000
     60      -9.6980      1.00000
     61      -9.6953      1.00000
     62      -9.4004      1.00000
     63      -9.3899      1.00000
     64      -9.0683      1.00000
     65      -8.9829      1.00000
     66      -8.9818      1.00000
     67      -8.9060      1.00000
     68      -8.8130      1.00000
     69      -8.6496      1.00000
     70      -8.6343      1.00000
     71      -8.5465      1.00000
     72      -8.5024      1.00000
     73      -8.4833      1.00000
     74      -8.3949      1.00000
     75      -8.3830      1.00000
     76      -8.2103      1.00000
     77      -8.1017      1.00000
     78      -8.0076      1.00000
     79      -7.9016      1.00000
     80      -7.8432      1.00000
     81      -7.6221      1.00000
     82      -7.5336      1.00000
     83      -7.4576      1.00000
     84      -7.2541      1.00000
     85      -6.9429      1.00000
     86      -6.8689      1.00000
     87      -6.8105      1.00000
     88      -6.4786      1.00000
     89      -6.4686      1.00000
     90      -6.4102      1.00000
     91      -6.3605      1.00000
     92      -6.1877      1.00000
     93      -5.8587      1.00000
     94      -5.7382      1.00000
     95      -5.7119      1.00000
     96      -5.5229      1.00000
     97      -5.3294      1.00000
     98      -5.1727      1.00000
     99      -5.1680      1.00000
    100      -5.1346      1.00000
    101      -4.6960      1.00000
    102      -4.3482      1.00000
    103      -4.2772      1.00000
    104      -4.0268      1.00000
    105      -3.8254      1.00000
    106      -3.2335      1.00000
    107      -2.4057      0.00000
    108      -1.3459      0.00000
    109      -1.2438      0.00000
    110      -1.1536      0.00000
    111      -1.1087      0.00000
    112      -0.5839      0.00000
    113      -0.5211      0.00000
    114      -0.4340      0.00000
    115      -0.2749      0.00000
    116      -0.0719      0.00000
    117      -0.0115      0.00000
    118       0.0598      0.00000
    119       0.5837      0.00000
    120       0.7103      0.00000
    121       0.8088      0.00000
    122       0.9411      0.00000
    123       1.1808      0.00000
    124       1.5087      0.00000
    125       1.6180      0.00000
    126       1.8575      0.00000
    127       2.0039      0.00000
    128       2.0501      0.00000
    129       2.1117      0.00000
    130       2.1352      0.00000
    131       2.2552      0.00000
    132       2.2851      0.00000
    133       2.3459      0.00000
    134       2.4556      0.00000
    135       2.6084      0.00000
    136       2.6998      0.00000
    137       2.8188      0.00000
    138       2.9147      0.00000
    139       2.9424      0.00000
    140       3.0079      0.00000
    141       3.0439      0.00000
    142       3.1562      0.00000
    143       3.1568      0.00000
    144       3.2201      0.00000
    145       3.2990      0.00000
    146       3.3098      0.00000
    147       3.3527      0.00000
    148       3.3726      0.00000
    149       3.4159      0.00000
    150       3.4372      0.00000
    151       3.5542      0.00000
    152       3.6054      0.00000
    153       3.6933      0.00000
    154       3.7185      0.00000
    155       3.8466      0.00000
    156       3.8997      0.00000
    157       3.9314      0.00000
    158       3.9572      0.00000
    159       4.1467      0.00000
    160       4.1810      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2148      1.00000
      2     -22.0096      1.00000
      3     -21.6476      1.00000
      4     -21.6162      1.00000
      5     -20.9111      1.00000
      6     -20.8703      1.00000
      7     -20.5404      1.00000
      8     -20.5078      1.00000
      9     -20.5009      1.00000
     10     -19.9634      1.00000
     11     -19.4419      1.00000
     12     -19.4202      1.00000
     13     -19.2411      1.00000
     14     -19.2340      1.00000
     15     -18.3771      1.00000
     16     -18.3420      1.00000
     17     -17.8597      1.00000
     18     -17.8438      1.00000
     19     -17.6922      1.00000
     20     -17.6562      1.00000
     21     -17.3731      1.00000
     22     -17.3590      1.00000
     23     -17.2679      1.00000
     24     -16.4143      1.00000
     25     -16.3909      1.00000
     26     -15.9058      1.00000
     27     -15.3445      1.00000
     28     -15.3397      1.00000
     29     -15.0320      1.00000
     30     -15.0224      1.00000
     31     -14.7770      1.00000
     32     -14.7747      1.00000
     33     -14.2381      1.00000
     34     -14.1878      1.00000
     35     -13.3879      1.00000
     36     -13.3341      1.00000
     37     -13.1118      1.00000
     38     -13.1039      1.00000
     39     -12.9189      1.00000
     40     -12.9134      1.00000
     41     -12.5460      1.00000
     42     -12.5384      1.00000
     43     -12.1339      1.00000
     44     -11.5147      1.00000
     45     -11.4703      1.00000
     46     -11.2457      1.00000
     47     -11.2141      1.00000
     48     -11.0865      1.00000
     49     -10.7036      1.00000
     50     -10.5963      1.00000
     51     -10.5096      1.00000
     52     -10.2522      1.00000
     53     -10.2482      1.00000
     54     -10.1222      1.00000
     55     -10.0548      1.00000
     56     -10.0397      1.00000
     57      -9.7845      1.00000
     58      -9.6878      1.00000
     59      -9.6747      1.00000
     60      -9.6382      1.00000
     61      -9.6286      1.00000
     62      -9.5869      1.00000
     63      -9.2960      1.00000
     64      -9.2842      1.00000
     65      -9.2539      1.00000
     66      -9.0634      1.00000
     67      -8.8954      1.00000
     68      -8.8844      1.00000
     69      -8.7195      1.00000
     70      -8.5804      1.00000
     71      -8.5268      1.00000
     72      -8.3512      1.00000
     73      -8.3054      1.00000
     74      -8.2442      1.00000
     75      -8.2385      1.00000
     76      -8.1951      1.00000
     77      -8.1819      1.00000
     78      -8.1704      1.00000
     79      -8.1054      1.00000
     80      -7.6900      1.00000
     81      -7.4191      1.00000
     82      -7.3432      1.00000
     83      -7.2596      1.00000
     84      -7.1691      1.00000
     85      -7.1111      1.00000
     86      -7.0051      1.00000
     87      -6.9047      1.00000
     88      -6.8486      1.00000
     89      -6.5423      1.00000
     90      -6.4988      1.00000
     91      -6.2101      1.00000
     92      -6.2020      1.00000
     93      -5.8952      1.00000
     94      -5.6737      1.00000
     95      -5.6072      1.00000
     96      -5.5812      1.00000
     97      -5.2538      1.00000
     98      -5.2317      1.00000
     99      -5.1654      1.00000
    100      -5.1351      1.00000
    101      -4.5988      1.00000
    102      -4.2474      1.00000
    103      -4.0434      1.00000
    104      -3.8850      1.00000
    105      -3.8385      1.00000
    106      -3.8000      1.00000
    107      -1.8082      0.00000
    108      -1.7810      0.00000
    109      -1.2262      0.00000
    110      -1.1753      0.00000
    111      -0.9741      0.00000
    112      -0.7349      0.00000
    113      -0.6497      0.00000
    114      -0.5939      0.00000
    115      -0.5501      0.00000
    116      -0.1551      0.00000
    117       0.1768      0.00000
    118       0.2876      0.00000
    119       0.7046      0.00000
    120       0.9468      0.00000
    121       1.1695      0.00000
    122       1.2778      0.00000
    123       1.3427      0.00000
    124       1.5102      0.00000
    125       1.6076      0.00000
    126       1.6275      0.00000
    127       1.6915      0.00000
    128       1.7733      0.00000
    129       1.8590      0.00000
    130       2.0677      0.00000
    131       2.1586      0.00000
    132       2.3126      0.00000
    133       2.3927      0.00000
    134       2.4210      0.00000
    135       2.5528      0.00000
    136       2.6240      0.00000
    137       2.6864      0.00000
    138       2.7361      0.00000
    139       2.8041      0.00000
    140       2.9058      0.00000
    141       3.0478      0.00000
    142       3.0610      0.00000
    143       3.1803      0.00000
    144       3.2784      0.00000
    145       3.3787      0.00000
    146       3.4087      0.00000
    147       3.4567      0.00000
    148       3.5440      0.00000
    149       3.5701      0.00000
    150       3.6325      0.00000
    151       3.6615      0.00000
    152       3.7012      0.00000
    153       3.7778      0.00000
    154       3.7852      0.00000
    155       3.8218      0.00000
    156       3.8914      0.00000
    157       3.9022      0.00000
    158       3.9730      0.00000
    159       4.1878      0.00000
    160       4.2271      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0391   -7.2568    3.9828   -1.1314   -0.1851   17.3736    0.4904   -0.8147    0.7706   -0.4758
x    -3.1265   -0.0252   -0.0206   -0.0263    0.0913   -3.0540    0.0303   -0.0243    0.0083    0.0018
x    -0.0953   -0.0029    0.0035   -0.0031    0.0021   -0.0242    0.0000    0.0000   -0.0001    0.0001
x    -0.0035   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0391    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0034    0.0000    0.0004    0.0007    0.0028   -0.0984   -0.0315    0.0618    0.0184
y     0.0232   -3.2430   -0.1787    0.1699   -2.4150   -0.6650
z   204.0391    1.7395    0.2872    0.0898   -0.0014    0.0776   -0.0019    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1048    0.0015   -0.0009   -0.0001    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0013   -0.0001    0.0001    0.0000
z    -0.0001    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  -16.7034
z     0.1405    0.2291   -0.0318    0.0572   -0.0903    0.0006
 total charge-density along one line
x   212.0000  -10.0882    5.9298   -1.9404   -0.4207   19.2928   -0.6592    0.2078    0.0654   -0.1050
x    -2.7067   -0.0089    0.0019   -0.0454    0.0973   -2.3455    0.0477   -0.0343    0.0117    0.0024
x    -0.0854   -0.0055    0.0083   -0.0079    0.0053   -0.0374    0.0000   -0.0001    0.0004   -0.0004
x    -0.0054    0.0000   -0.0002    0.0001    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  -10.0882    5.9298   -1.9404   -0.4207   19.2928   -0.6592    0.2078    0.0654   -0.1050
y    -2.7067   -0.0089    0.0019   -0.0454    0.0973   -2.3455    0.0477   -0.0343    0.0117    0.0024
y    -0.0854   -0.0055    0.0083   -0.0079    0.0053   -0.0374    0.0000   -0.0001    0.0004   -0.0004
y    -0.0054    0.0000   -0.0002    0.0001    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 -205.2989  188.8536 -170.1530  154.0944 -140.4397  126.5454 -111.0582   94.7729  -79.0927
z    64.7156  -51.7765   40.5481  -31.5115   24.8035  -19.8830   15.8781  -12.2208    8.9085   -6.2219
z     4.2932   -2.9623    1.9638   -1.1547    0.5446   -0.1599   -0.0589    0.2214   -0.3854    0.5202
z    -0.5683    0.5233   -0.4393    0.3760   -0.3482    0.3299   -0.2953    0.2450   -0.1975    0.1644
z    -0.1416    0.1196   -0.0957    0.0747   -0.0610    0.0533   -0.0468    0.0390   -0.0313    0.0258
z    -0.0227    0.0203   -0.0173    0.0140   -0.0113    0.0093   -0.0076    0.0058   -0.0043    0.0032
z    -0.0022    0.0013   -0.0004   -0.0002    0.0004   -0.0004    0.0005   -0.0008    0.0009   -0.0007
z     0.0004   -0.0002    0.0001   -0.0001    0.0000    0.0002   -0.0003    0.0003   -0.0003    0.0003
z    -0.0003    0.0003   -0.0002    0.0002   -0.0002    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001
z     0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 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
-10.939   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.267   0.000  -0.102   0.000   0.000   0.239   0.000
  0.041   0.000 -11.243   0.000  -0.024  -0.006   0.000   0.237
  0.000  -0.102   0.000 -11.150   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.936   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.237   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.225   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.199   0.000   0.000   0.000
  0.036   0.000   0.100   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.026   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.939   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.267   0.000  -0.102   0.000   0.000   0.239   0.000
  0.041   0.000 -11.243   0.000  -0.024  -0.006   0.000   0.237
  0.000  -0.102   0.000 -11.150   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.936   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.237   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.225   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.199   0.000   0.000   0.000
  0.036   0.000   0.100   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.026   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.960   0.000  -0.027   0.000   0.002   0.022   0.000   0.058   0.000  -0.014  -0.026   0.025   0.000  -0.001   0.000   0.000
  0.000   1.586   0.000  -0.148   0.000   0.000   0.594   0.000   0.260   0.000   0.000   0.000   0.160   0.000   0.106  -0.035
 -0.027   0.000   1.789   0.000   0.019   0.044   0.000   0.353   0.000  -0.027  -0.232  -0.043   0.000   0.096   0.000   0.000
  0.000  -0.148   0.000   1.756   0.000   0.000   0.260   0.000   0.293   0.000   0.000   0.000   0.108   0.000   0.039   0.005
  0.002   0.000   0.019   0.000   1.966  -0.014   0.000  -0.035   0.000   0.003   0.011  -0.015   0.000   0.003   0.000   0.000
  0.022   0.000   0.044   0.000  -0.014   0.063   0.000   0.101   0.000  -0.024   0.193  -0.053   0.000   0.115   0.000   0.000
  0.000   0.594   0.000   0.260   0.000   0.000   0.329   0.000   0.107   0.000   0.000   0.000   0.057   0.000   0.066  -0.011
  0.058   0.000   0.353   0.000  -0.035   0.101   0.000   0.558   0.000  -0.057   0.698  -0.290   0.000   0.087   0.000   0.000
  0.000   0.260   0.000   0.293   0.000   0.000   0.107   0.000   0.206   0.000   0.000   0.000   0.065   0.000  -0.019  -0.006
 -0.014   0.000  -0.027   0.000   0.003  -0.024   0.000  -0.057   0.000   0.036  -0.110   0.031   0.000  -0.068   0.000   0.000
 -0.026   0.000  -0.232   0.000   0.011   0.193   0.000   0.698   0.000  -0.110   1.351  -0.432   0.000   0.267   0.000   0.000
  0.025   0.000  -0.043   0.000  -0.015  -0.053   0.000  -0.290   0.000   0.031  -0.432   0.191   0.000  -0.034   0.000   0.000
  0.000   0.160   0.000   0.108   0.000   0.000   0.057   0.000   0.065   0.000   0.000   0.000   0.043   0.000   0.012  -0.004
 -0.001   0.000   0.096   0.000   0.003   0.115   0.000   0.087   0.000  -0.068   0.267  -0.034   0.000   0.308   0.000   0.000
  0.000   0.106   0.000   0.039   0.000   0.000   0.066   0.000  -0.019   0.000   0.000   0.000   0.012   0.000   0.031  -0.002
  0.000  -0.035   0.000   0.005   0.000   0.000  -0.011   0.000  -0.006   0.000   0.000   0.000  -0.004   0.000  -0.002   0.001
  0.001   0.000  -0.037   0.000  -0.001  -0.005   0.000  -0.009   0.000   0.003  -0.007   0.000   0.000  -0.014   0.000   0.000
  0.000   0.005   0.000  -0.041   0.000   0.000  -0.006   0.000  -0.004   0.000   0.000   0.000  -0.002   0.000  -0.002   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        0.638   0.276   8.026   8.940
  2        0.514   0.028   0.000   0.542
  3        0.514   0.028   0.000   0.542
  4        0.864   1.783   0.000   2.647
  5        0.864   1.783   0.000   2.646
  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   1.783   0.000   2.647
 10        0.864   1.784   0.000   2.648
 11        0.863   1.783   0.000   2.646
 12        0.864   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.646
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.863   1.777   0.000   2.640
 17        0.856   1.773   0.000   2.629
 18        0.864   1.784   0.000   2.648
 19        0.864   1.782   0.000   2.646
 20        0.864   1.782   0.000   2.646
 21        0.863   1.781   0.000   2.644
 22        0.863   1.776   0.000   2.640
 23        0.863   1.783   0.000   2.646
 24        0.864   1.783   0.000   2.647
 25        0.864   1.783   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   1.783   0.000   2.647
 29        0.864   1.783   0.000   2.647
 30        0.864   1.783   0.000   2.647
 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   2.646
 34        0.864   1.782   0.000   2.646
 35        0.863   1.783   0.000   2.646
 36        0.863   1.776   0.000   2.640
 37        0.863   1.781   0.000   2.644
 38        0.864   1.782   0.000   2.646
 39        0.864   1.784   0.000   2.648
 40        0.864   1.784   0.000   2.648
 41        0.856   1.773   0.000   2.629
 42        0.863   1.777   0.000   2.640
 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   2.646
 46        0.864   1.785   0.000   2.648
 47        0.863   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   1.783   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   1.783   0.000   2.646
------------------------------------------------
tot       44.832  89.438   8.026 142.297
 


 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  114.86: CPU time   58.00
    FORLOC:  VPU time    1.26: CPU time    1.26
    FORNL :  VPU time  442.60: CPU time  221.89
    STRESS:  VPU time 1351.19: CPU time  678.91
    FORCOR:  VPU time    8.52: CPU time    8.52
    FORHAR:  VPU time    2.31: CPU time    2.31
    MIXING:  VPU time    0.17: CPU time    0.18
 d Force = 0.6481440E-06[ 0.544E-06, 0.752E-06]  d Energy = 0.2550518E-05-0.190E-05
 d Force = 0.1742671E+00[ 0.174E+00, 0.174E+00]  d Ewald  = 0.3019553E+00-0.128E+00


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.644890 eV

  energy  without entropy=     -471.644890  energy(sigma->0) =     -471.644890
 

  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    40733.27  40750.07 -47435.32     14.55      0.00      0.00
  Hartree  40198.77  40202.55 -39453.28      3.27      0.00      0.00
  E(xc)     -779.75   -779.56   -807.28      0.17      0.00      0.00
  Local   -83225.19 -83239.60  84205.91    -12.48      0.00      0.00
  n-local   -215.84   -215.74   -203.87     -0.17      0.00      0.00
  augment     22.09     20.52     17.36     -1.36      0.00      0.00
  Kinetic   3168.84   3171.47   3582.26     -6.18      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.10     -0.13     -0.28     -0.02      0.00      0.00
  in kB       -0.06     -0.08     -0.17     -0.01      0.00      0.00
  external pressure =       -0.10 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
    12.347061325  0.001770680  0.000000000     0.080984229  0.046740850  0.000000000
    -6.172003851 10.693750161  0.000000000    -0.000013409  0.093504825  0.000000000
     0.000000000  0.000000000 19.978155252     0.000000000  0.000000000  0.050054672

  length of vectors
    12.347061452 12.347061353 19.978155252     0.093504825  0.093504826  0.050054672


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.394E-05 -.457E-04 -.960E+03   0.431E-05 -.274E-04 0.968E+03   -.260E-20 -.382E-22 -.792E+01   -.129E-07 0.671E-08 -.763E-03
   -.176E+02 -.304E+02 -.136E+03   0.184E+02 0.318E+02 0.138E+03   -.829E+00 -.144E+01 -.258E+01   0.381E-04 0.650E-04 -.102E-03
   0.176E+02 0.304E+02 -.136E+03   -.184E+02 -.318E+02 0.138E+03   0.829E+00 0.144E+01 -.258E+01   -.381E-04 -.650E-04 -.102E-03
   -.196E+01 0.113E+01 0.170E+02   0.197E+01 -.114E+01 -.170E+02   -.896E-02 0.518E-02 -.890E-02   -.204E-06 -.282E-05 0.530E-03
   0.579E+01 0.690E+01 0.198E+02   -.580E+01 -.693E+01 -.198E+02   0.620E-02 0.327E-01 -.194E-01   -.139E-04 -.121E-03 0.443E-03
   0.113E+02 0.504E+01 0.184E+02   -.113E+02 -.504E+01 -.183E+02   0.246E-01 0.935E-02 -.540E-01   -.161E-03 0.283E-03 0.239E-04
   0.454E+01 -.102E+01 0.164E+02   -.456E+01 0.104E+01 -.164E+02   0.205E-01 -.161E-01 -.120E-02   -.793E-05 0.186E-03 -.125E-03
   -.292E+01 -.239E+01 0.150E+02   0.293E+01 0.241E+01 -.150E+02   -.151E-01 -.144E-01 -.120E-02   0.830E-04 0.525E-04 0.221E-03
   0.615E+00 0.372E+01 0.150E+02   -.620E+00 -.374E+01 -.150E+02   0.494E-02 0.203E-01 -.120E-02   -.940E-05 -.104E-03 0.217E-03
   0.274E+01 0.182E+02 0.247E+02   -.275E+01 -.183E+02 -.247E+02   0.882E-02 0.111E+00 -.466E-02   -.124E-03 0.242E-03 0.351E-04
   0.215E+02 0.226E+02 0.396E+02   -.216E+02 -.228E+02 -.396E+02   0.116E+00 0.228E+00 -.198E-01   -.390E-03 -.170E-03 -.374E-03
   0.265E+02 -.448E+01 0.269E+02   -.267E+02 0.460E+01 -.268E+02   0.236E+00 -.119E+00 -.592E-01   -.275E-03 -.578E-06 -.412E-03
   0.916E+01 -.529E+01 0.155E+02   -.917E+01 0.529E+01 -.155E+02   0.187E-01 -.108E-01 0.517E-03   0.233E-03 -.141E-03 0.237E-05
   0.315E+01 -.342E+01 0.164E+02   -.318E+01 0.343E+01 -.164E+02   0.242E-01 -.966E-02 -.120E-02   -.167E-03 -.904E-04 -.133E-03
   -.603E+01 0.132E+02 0.199E+02   0.603E+01 -.132E+02 -.199E+02   -.635E-02 0.741E-01 -.120E-01   -.153E-03 -.139E-03 -.250E-03
   -.123E+02 0.335E+02 0.459E+02   0.123E+02 -.341E+02 -.462E+02   -.916E-01 0.681E+00 0.343E+00   -.487E-04 -.222E-03 -.429E-03
   0.263E+02 -.152E+02 0.698E+02   -.273E+02 0.158E+02 -.719E+02   0.967E+00 -.558E+00 0.210E+01   -.397E-03 0.227E-03 -.456E-03
   0.171E+02 -.207E+02 0.269E+02   -.174E+02 0.209E+02 -.268E+02   0.221E+00 -.144E+00 -.592E-01   -.139E-03 0.231E-03 -.417E-03
   0.126E+01 -.123E+02 0.184E+02   -.127E+01 0.123E+02 -.183E+02   0.419E-02 -.260E-01 -.540E-01   -.322E-03 -.263E-05 0.184E-04
   -.386E+01 0.157E+01 0.144E+02   0.387E+01 -.157E+01 -.144E+02   -.577E-02 0.117E-02 -.415E-01   -.880E-04 -.174E-03 0.535E-04
   -.182E+02 0.105E+02 0.212E+02   0.183E+02 -.105E+02 -.211E+02   -.630E-01 0.364E-01 -.119E+00   0.384E-03 -.218E-03 -.313E-03
   -.351E+02 -.612E+01 0.459E+02   0.357E+02 0.638E+01 -.462E+02   -.636E+00 -.261E+00 0.343E+00   0.171E-03 0.152E-03 -.426E-03
   -.885E+01 -.299E+02 0.396E+02   0.899E+01 0.301E+02 -.396E+02   -.139E+00 -.215E+00 -.198E-01   -.442E-04 0.418E-03 -.376E-03
   -.308E+01 -.846E+01 0.198E+02   0.310E+01 0.848E+01 -.198E+02   -.253E-01 -.217E-01 -.194E-01   0.995E-04 0.705E-04 0.442E-03
   0.126E+01 -.729E+00 0.147E+02   -.126E+01 0.728E+00 -.147E+02   -.138E-02 0.798E-03 -.325E-01   -.271E-04 0.177E-04 0.390E-03
   -.329E+01 0.256E+01 0.144E+02   0.330E+01 -.256E+01 -.144E+02   -.390E-02 0.441E-02 -.415E-01   0.108E-03 0.168E-03 0.583E-04
   -.144E+02 -.136E+01 0.199E+02   0.145E+02 0.140E+01 -.199E+02   -.673E-01 -.316E-01 -.120E-01   0.454E-04 0.201E-03 -.242E-03
   -.144E+02 -.115E+02 0.247E+02   0.145E+02 0.115E+02 -.247E+02   -.919E-01 -.632E-01 -.466E-02   -.269E-03 -.190E-04 0.381E-04
   0.308E+01 0.846E+01 0.198E+02   -.310E+01 -.848E+01 -.198E+02   0.253E-01 0.217E-01 -.194E-01   -.995E-04 -.705E-04 0.442E-03
   0.144E+02 0.115E+02 0.247E+02   -.145E+02 -.115E+02 -.247E+02   0.919E-01 0.632E-01 -.466E-02   0.269E-03 0.191E-04 0.380E-04
   0.144E+02 0.136E+01 0.199E+02   -.145E+02 -.140E+01 -.199E+02   0.673E-01 0.316E-01 -.120E-01   -.454E-04 -.201E-03 -.242E-03
   0.329E+01 -.256E+01 0.144E+02   -.330E+01 0.256E+01 -.144E+02   0.390E-02 -.441E-02 -.415E-01   -.108E-03 -.168E-03 0.583E-04
   -.126E+01 0.729E+00 0.147E+02   0.126E+01 -.728E+00 -.147E+02   0.138E-02 -.798E-03 -.325E-01   0.271E-04 -.177E-04 0.390E-03
   -.126E+01 0.123E+02 0.184E+02   0.127E+01 -.123E+02 -.183E+02   -.419E-02 0.260E-01 -.540E-01   0.322E-03 0.262E-05 0.184E-04
   0.885E+01 0.299E+02 0.396E+02   -.899E+01 -.301E+02 -.396E+02   0.139E+00 0.215E+00 -.198E-01   0.442E-04 -.418E-03 -.376E-03
   0.351E+02 0.612E+01 0.459E+02   -.357E+02 -.638E+01 -.462E+02   0.636E+00 0.261E+00 0.343E+00   -.171E-03 -.152E-03 -.426E-03
   0.182E+02 -.105E+02 0.212E+02   -.183E+02 0.105E+02 -.211E+02   0.630E-01 -.364E-01 -.119E+00   -.384E-03 0.218E-03 -.313E-03
   0.386E+01 -.157E+01 0.144E+02   -.387E+01 0.157E+01 -.144E+02   0.577E-02 -.117E-02 -.415E-01   0.880E-04 0.174E-03 0.535E-04
   -.315E+01 0.342E+01 0.164E+02   0.318E+01 -.343E+01 -.164E+02   -.242E-01 0.966E-02 -.120E-02   0.167E-03 0.903E-04 -.133E-03
   -.171E+02 0.207E+02 0.269E+02   0.174E+02 -.209E+02 -.268E+02   -.221E+00 0.144E+00 -.592E-01   0.139E-03 -.231E-03 -.417E-03
   -.263E+02 0.152E+02 0.698E+02   0.273E+02 -.158E+02 -.719E+02   -.967E+00 0.558E+00 0.210E+01   0.397E-03 -.227E-03 -.456E-03
   0.123E+02 -.335E+02 0.459E+02   -.123E+02 0.341E+02 -.462E+02   0.916E-01 -.681E+00 0.343E+00   0.486E-04 0.222E-03 -.429E-03
   0.603E+01 -.132E+02 0.199E+02   -.603E+01 0.132E+02 -.199E+02   0.635E-02 -.741E-01 -.120E-01   0.153E-03 0.139E-03 -.250E-03
   -.615E+00 -.372E+01 0.150E+02   0.620E+00 0.374E+01 -.150E+02   -.494E-02 -.203E-01 -.120E-02   0.940E-05 0.104E-03 0.217E-03
   -.916E+01 0.529E+01 0.155E+02   0.917E+01 -.529E+01 -.155E+02   -.187E-01 0.108E-01 0.517E-03   -.233E-03 0.141E-03 0.237E-05
   -.265E+02 0.448E+01 0.269E+02   0.267E+02 -.460E+01 -.268E+02   -.236E+00 0.119E+00 -.592E-01   0.275E-03 0.589E-06 -.412E-03
   -.215E+02 -.226E+02 0.396E+02   0.216E+02 0.228E+02 -.396E+02   -.116E+00 -.228E+00 -.198E-01   0.390E-03 0.170E-03 -.374E-03
   -.274E+01 -.182E+02 0.247E+02   0.275E+01 0.183E+02 -.247E+02   -.882E-02 -.111E+00 -.466E-02   0.124E-03 -.242E-03 0.351E-04
   0.196E+01 -.113E+01 0.170E+02   -.197E+01 0.114E+01 -.170E+02   0.896E-02 -.518E-02 -.890E-02   0.204E-06 0.282E-05 0.530E-03
   0.292E+01 0.239E+01 0.150E+02   -.293E+01 -.241E+01 -.150E+02   0.151E-01 0.144E-01 -.120E-02   -.829E-04 -.525E-04 0.221E-03
   -.454E+01 0.102E+01 0.164E+02   0.456E+01 -.104E+01 -.164E+02   -.205E-01 0.161E-01 -.120E-02   0.796E-05 -.186E-03 -.125E-03
   -.113E+02 -.504E+01 0.184E+02   0.113E+02 0.504E+01 -.183E+02   -.246E-01 -.935E-02 -.540E-01   0.161E-03 -.283E-03 0.239E-04
   -.579E+01 -.690E+01 0.198E+02   0.580E+01 0.693E+01 -.198E+02   -.620E-02 -.327E-01 -.194E-01   0.139E-04 0.121E-03 0.443E-03
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.306E-03 0.865E+01   -.600E-12 -.586E-13 -.302E-12   0.217E-15 0.236E-15 -.867E+01   -.196E-07 0.129E-07 -.392E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85292      6.06056     12.33706         0.000000      0.000000      0.009378
      2.26139      6.76805     13.65549         0.000169      0.000293     -0.002601
      1.44446      5.35307     13.65549        -0.000169     -0.000293     -0.002601
      0.00057     -0.00033      9.95762         0.000024     -0.000014     -0.005002
     11.11185      2.13937      9.95935         0.000231     -0.001411     -0.002308
      9.87639      4.27879      9.97155        -0.001137      0.001777      0.000282
      8.64316      6.41801      9.97078         0.000782      0.002623      0.001093
     -4.93593      8.55507      9.96608         0.000008      0.000157     -0.001514
      2.47019     -0.00113      9.96608        -0.000132     -0.000085     -0.001514
      1.23472      2.13597      9.97112        -0.000859      0.002523      0.002688
     -0.00391      4.27469     10.00034        -0.001842     -0.001411     -0.001752
     -1.23828      6.41571     10.00607        -0.001273     -0.000377     -0.000441
     -2.46692      8.55462      9.97879         0.002994     -0.001729     -0.001189
      4.93848      0.00132      9.97078        -0.001880     -0.001989      0.001093
      3.70478      2.13646      9.97901        -0.002087     -0.000455     -0.000688
      2.47065      4.26301     10.04362         0.000061      0.000701     -0.001630
      1.22850      6.42107     10.11399        -0.000298      0.000172      0.013810
     -0.00025      8.56004     10.00607        -0.000310      0.001292     -0.000441
      7.40772      0.00292      9.97155        -0.002108      0.000096      0.000282
      6.17319      2.14012      9.97168         0.000366     -0.003374     -0.001195
      4.94016      4.27815      9.99977         0.001962     -0.001133      0.004539
      3.71852      6.42437     10.04362        -0.000577     -0.000403     -0.001630
      2.47112      8.56157     10.00034         0.000301      0.002301     -0.001752
      9.87824      0.00269      9.95935         0.001337      0.000505     -0.002308
      8.64240      2.14066      9.96242         0.000390     -0.000225     -0.003317
      7.40826      4.27932      9.97168         0.003105      0.001370     -0.001195
      6.17722      6.41886      9.97901        -0.000650      0.002035     -0.000688
      4.94262      8.55824      9.97112        -0.002615     -0.000517      0.002688
     -0.00039      1.42468      9.95935        -0.001337     -0.000505     -0.002308
     -1.23677      3.56288      9.97112         0.002615      0.000517      0.002688
     -2.47137      5.70226      9.97901         0.000650     -0.002035     -0.000688
     -3.70241      7.84180      9.97168        -0.003105     -0.001370     -0.001195
     -4.93655      9.98046      9.96242        -0.000390      0.000225     -0.003317
      2.47013      1.42444      9.97155         0.002108     -0.000096      0.000282
      1.23473      3.55955     10.00034        -0.000301     -0.002301     -0.001752
     -0.01267      5.69675     10.04362         0.000577      0.000403     -0.001630
     -1.23431      7.84297      9.99977        -0.001962      0.001133      0.004539
     -2.46734      9.98100      9.97168        -0.000366      0.003374     -0.001195
      4.93937      1.42605      9.97078         0.001880      0.001989      0.001093
      3.70610      3.56107     10.00607         0.000310     -0.001292     -0.000441
      2.47735      5.70005     10.11399         0.000298     -0.000172      0.013810
      1.23519      7.85811     10.04362        -0.000061     -0.000701     -0.001630
      0.00107      9.98466      9.97901         0.002087      0.000455     -0.000688
      7.40767      1.42849      9.96608         0.000132      0.000085     -0.001514
      6.17277      3.56650      9.97879        -0.002994      0.001729     -0.001189
      4.94413      5.70541     10.00607         0.001273      0.000377     -0.000441
      3.70976      7.84643     10.00034         0.001842      0.001411     -0.001752
      2.47113      9.98515      9.97112         0.000859     -0.002523      0.002688
      9.87728      1.42770      9.95762        -0.000024      0.000014     -0.005002
      8.64178      3.56605      9.96608        -0.000008     -0.000157     -0.001514
      7.40975      5.70487      9.97078        -0.000782     -0.002623      0.001093
      6.17652      7.84410      9.97155         0.001137     -0.001777      0.000282
      4.94106      9.98352      9.95935        -0.000231      0.001411     -0.002308
 -----------------------------------------------------------------------------------
    total drift:                               -0.001814      0.000306     -0.015489


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




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


    WAVPRE:  VPU time    1.97: CPU time    1.98
    FEWALD:  VPU time    0.02: CPU time    0.01
    GENKIN:  VPU time    1.36: CPU time    1.36
    ORTHCH:  VPU time  190.85: CPU time   95.59
     LOOP+:  VPU time 5123.65: CPU time 2627.78


----------------------------------------- Iteration   24(   1)  ---------------------------------------


    POTLOK:  VPU time    9.23: CPU time    9.19
    SETDIJ:  VPU time    0.35: CPU time    0.34
    EDDAV :  VPU time 1705.60: CPU time  878.29
 BZINTS: Fermi energy: -3.080679;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  115.03: CPU time   58.00
    MIXING:  VPU time    0.15: CPU time    0.15
    ------------------------------------------
      LOOP:  VPU time 1830.44: CPU time  946.02

 eigenvalue-minimisations  :  5376
 total energy-change (2. order) :-0.4716449E+03  (-0.7810095E-04)
 number of electron  212.0000030 magnetization    0.0000000
 augmentation part     7.9609127 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.54121E-03    rms(broyden)= 0.54102E-03
  rms(prec ) = 0.57954E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34047.43244582
  -1/2 Hartree   DENC   =    -40947.47696784
  -V(xc)+E(xc)   XCENC  =       726.61657065
  PAW double counting   =      4093.00357061    -4131.37851425
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.28184956
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64489097 eV

  energy without entropy =     -471.64489097  energy(sigma->0) =     -471.64489097


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




----------------------------------------- Iteration   24(   2)  ---------------------------------------


    POTLOK:  VPU time    9.08: CPU time    9.08
    SETDIJ:  VPU time    0.33: CPU time    0.33
    EDDAV :  VPU time 1327.20: CPU time  683.08
 BZINTS: Fermi energy: -3.080922;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1336.68: CPU time  692.53

 eigenvalue-minimisations  :  3760
 total energy-change (2. order) :-0.6694354E-06  (-0.1347491E-05)
 number of electron  212.0000030 magnetization    0.0000000
 augmentation part     7.9609127 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34047.43244582
  -1/2 Hartree   DENC   =    -40947.45997969
  -V(xc)+E(xc)   XCENC  =       726.61634484
  PAW double counting   =      4092.98954673    -4131.36435804
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.29874490
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64489163 eV

  energy without entropy =     -471.64489163  energy(sigma->0) =     -471.64489163


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




 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 -58.5340       2 -39.9761       3 -39.9761       4 -58.2444       5 -58.2490
       6 -58.2563       7 -58.2471       8 -58.2452       9 -58.2452      10 -58.2611
      11 -58.3160      12 -58.2929      13 -58.2502      14 -58.2471      15 -58.2580
      16 -58.4381      17 -58.7315      18 -58.2929      19 -58.2563      20 -58.2506
      21 -58.2777      22 -58.4381      23 -58.3161      24 -58.2490      25 -58.2438
      26 -58.2506      27 -58.2580      28 -58.2612      29 -58.2489      30 -58.2610
      31 -58.2579      32 -58.2505      33 -58.2438      34 -58.2562      35 -58.3159
      36 -58.4380      37 -58.2776      38 -58.2505      39 -58.2470      40 -58.2928
      41 -58.7314      42 -58.4380      43 -58.2579      44 -58.2451      45 -58.2501
      46 -58.2928      47 -58.3160      48 -58.2611      49 -58.2443      50 -58.2451
      51 -58.2470      52 -58.2562      53 -58.2489
 
 
 
 E-fermi :  -3.0809     XC(G=0):  -2.3496     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     -22.3574      1.00000
      2     -21.5375      1.00000
      3     -21.4080      1.00000
      4     -21.4070      1.00000
      5     -21.3757      1.00000
      6     -21.3666      1.00000
      7     -21.3594      1.00000
      8     -19.6467      1.00000
      9     -19.5731      1.00000
     10     -19.5661      1.00000
     11     -19.5593      1.00000
     12     -19.5410      1.00000
     13     -19.5383      1.00000
     14     -18.7287      1.00000
     15     -18.6802      1.00000
     16     -18.6731      1.00000
     17     -18.6595      1.00000
     18     -18.6438      1.00000
     19     -18.6423      1.00000
     20     -16.5863      1.00000
     21     -16.5269      1.00000
     22     -16.5244      1.00000
     23     -16.5118      1.00000
     24     -16.4873      1.00000
     25     -16.4856      1.00000
     26     -15.5590      1.00000
     27     -15.5267      1.00000
     28     -15.5261      1.00000
     29     -15.5006      1.00000
     30     -15.4959      1.00000
     31     -15.4897      1.00000
     32     -14.2065      1.00000
     33     -14.1809      1.00000
     34     -14.1679      1.00000
     35     -14.1658      1.00000
     36     -14.1604      1.00000
     37     -14.1493      1.00000
     38     -11.8827      1.00000
     39     -11.8080      1.00000
     40     -11.7928      1.00000
     41     -11.7922      1.00000
     42     -11.7893      1.00000
     43     -11.7833      1.00000
     44     -11.7054      1.00000
     45     -11.6985      1.00000
     46     -11.6733      1.00000
     47     -11.6585      1.00000
     48     -11.6584      1.00000
     49     -11.6510      1.00000
     50     -10.6724      1.00000
     51     -10.3296      1.00000
     52     -10.3214      1.00000
     53     -10.3061      1.00000
     54     -10.3048      1.00000
     55     -10.2914      1.00000
     56     -10.2786      1.00000
     57      -9.9257      1.00000
     58      -9.3733      1.00000
     59      -9.3600      1.00000
     60      -9.3009      1.00000
     61      -9.2927      1.00000
     62      -9.2860      1.00000
     63      -9.0922      1.00000
     64      -9.0546      1.00000
     65      -9.0499      1.00000
     66      -9.0271      1.00000
     67      -9.0069      1.00000
     68      -9.0026      1.00000
     69      -9.0008      1.00000
     70      -8.9959      1.00000
     71      -8.9920      1.00000
     72      -8.9727      1.00000
     73      -8.9657      1.00000
     74      -8.9539      1.00000
     75      -8.4918      1.00000
     76      -7.5145      1.00000
     77      -7.4101      1.00000
     78      -7.4098      1.00000
     79      -7.3993      1.00000
     80      -7.3844      1.00000
     81      -7.3639      1.00000
     82      -7.3423      1.00000
     83      -7.3109      1.00000
     84      -7.2687      1.00000
     85      -7.2073      1.00000
     86      -7.1807      1.00000
     87      -7.1804      1.00000
     88      -7.0763      1.00000
     89      -6.5077      1.00000
     90      -6.4615      1.00000
     91      -6.3560      1.00000
     92      -6.2943      1.00000
     93      -6.2883      1.00000
     94      -6.2870      1.00000
     95      -5.8973      1.00000
     96      -5.8850      1.00000
     97      -5.0424      1.00000
     98      -4.9362      1.00000
     99      -4.5381      1.00000
    100      -4.3413      1.00000
    101      -4.3183      1.00000
    102      -4.3175      1.00000
    103      -4.1155      1.00000
    104      -3.9111      1.00000
    105      -3.9009      1.00000
    106      -3.8287      1.00000
    107      -1.6819      0.00000
    108      -1.6673      0.00000
    109      -1.5372      0.00000
    110      -1.5361      0.00000
    111      -1.5228      0.00000
    112      -1.5095      0.00000
    113      -0.5878      0.00000
    114       0.1338      0.00000
    115       0.2072      0.00000
    116       0.3247      0.00000
    117       0.3262      0.00000
    118       0.3336      0.00000
    119       0.4947      0.00000
    120       0.5953      0.00000
    121       1.2584      0.00000
    122       1.2708      0.00000
    123       1.5238      0.00000
    124       1.7817      0.00000
    125       1.8038      0.00000
    126       1.8071      0.00000
    127       1.8119      0.00000
    128       1.9460      0.00000
    129       1.9794      0.00000
    130       2.0320      0.00000
    131       2.0454      0.00000
    132       2.0504      0.00000
    133       2.0552      0.00000
    134       2.0587      0.00000
    135       2.3062      0.00000
    136       2.3179      0.00000
    137       2.6132      0.00000
    138       2.6207      0.00000
    139       2.6492      0.00000
    140       2.7152      0.00000
    141       2.8626      0.00000
    142       3.0162      0.00000
    143       3.0442      0.00000
    144       3.0699      0.00000
    145       3.0726      0.00000
    146       3.0747      0.00000
    147       3.0952      0.00000
    148       3.2280      0.00000
    149       3.4348      0.00000
    150       3.5371      0.00000
    151       3.7822      0.00000
    152       3.9405      0.00000
    153       3.9411      0.00000
    154       3.9455      0.00000
    155       3.9519      0.00000
    156       3.9968      0.00000
    157       4.1760      0.00000
    158       4.2626      0.00000
    159       4.2850      0.00000
    160       4.2858      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3208      1.00000
      2     -21.7622      1.00000
      3     -21.5715      1.00000
      4     -21.5387      1.00000
      5     -21.2086      1.00000
      6     -21.1638      1.00000
      7     -20.9880      1.00000
      8     -20.1025      1.00000
      9     -20.0584      1.00000
     10     -19.5469      1.00000
     11     -19.5224      1.00000
     12     -19.3499      1.00000
     13     -19.0254      1.00000
     14     -18.9902      1.00000
     15     -18.9823      1.00000
     16     -18.9699      1.00000
     17     -18.2980      1.00000
     18     -18.2787      1.00000
     19     -17.9527      1.00000
     20     -17.0102      1.00000
     21     -16.9603      1.00000
     22     -16.8793      1.00000
     23     -16.8691      1.00000
     24     -16.4052      1.00000
     25     -16.3904      1.00000
     26     -15.5525      1.00000
     27     -15.5364      1.00000
     28     -15.1983      1.00000
     29     -15.1698      1.00000
     30     -15.1154      1.00000
     31     -15.0281      1.00000
     32     -15.0036      1.00000
     33     -14.6367      1.00000
     34     -14.6250      1.00000
     35     -13.6677      1.00000
     36     -13.6525      1.00000
     37     -13.1701      1.00000
     38     -12.5511      1.00000
     39     -12.5181      1.00000
     40     -12.3916      1.00000
     41     -12.3787      1.00000
     42     -12.0574      1.00000
     43     -12.0349      1.00000
     44     -11.6596      1.00000
     45     -11.6176      1.00000
     46     -11.1806      1.00000
     47     -11.1569      1.00000
     48     -10.9650      1.00000
     49     -10.9413      1.00000
     50     -10.8739      1.00000
     51     -10.8377      1.00000
     52     -10.6024      1.00000
     53     -10.0934      1.00000
     54     -10.0891      1.00000
     55     -10.0460      1.00000
     56      -9.9705      1.00000
     57      -9.6546      1.00000
     58      -9.6296      1.00000
     59      -9.5927      1.00000
     60      -9.5298      1.00000
     61      -9.5112      1.00000
     62      -9.4797      1.00000
     63      -9.2641      1.00000
     64      -9.2417      1.00000
     65      -9.2215      1.00000
     66      -9.1667      1.00000
     67      -9.0691      1.00000
     68      -9.0475      1.00000
     69      -9.0413      1.00000
     70      -8.8832      1.00000
     71      -8.8065      1.00000
     72      -8.5761      1.00000
     73      -8.5224      1.00000
     74      -8.4570      1.00000
     75      -8.0353      1.00000
     76      -7.8110      1.00000
     77      -7.8073      1.00000
     78      -7.7927      1.00000
     79      -7.7006      1.00000
     80      -7.6912      1.00000
     81      -7.3644      1.00000
     82      -7.2737      1.00000
     83      -7.2646      1.00000
     84      -7.2163      1.00000
     85      -7.1733      1.00000
     86      -7.0093      1.00000
     87      -6.9476      1.00000
     88      -6.7463      1.00000
     89      -6.6727      1.00000
     90      -6.5950      1.00000
     91      -6.5600      1.00000
     92      -6.0504      1.00000
     93      -6.0469      1.00000
     94      -6.0218      1.00000
     95      -5.9594      1.00000
     96      -5.7371      1.00000
     97      -5.1525      1.00000
     98      -4.9890      1.00000
     99      -4.7187      1.00000
    100      -4.6112      1.00000
    101      -4.4389      1.00000
    102      -4.3731      1.00000
    103      -4.1212      1.00000
    104      -3.8672      1.00000
    105      -3.8292      1.00000
    106      -3.7902      1.00000
    107      -1.7850      0.00000
    108      -1.7390      0.00000
    109      -1.3951      0.00000
    110      -1.3464      0.00000
    111      -1.2646      0.00000
    112      -1.2263      0.00000
    113      -0.7461      0.00000
    114      -0.3802      0.00000
    115      -0.2204      0.00000
    116      -0.0198      0.00000
    117       0.5893      0.00000
    118       0.7369      0.00000
    119       0.7647      0.00000
    120       1.0502      0.00000
    121       1.1415      0.00000
    122       1.2502      0.00000
    123       1.2693      0.00000
    124       1.4128      0.00000
    125       1.4790      0.00000
    126       1.5830      0.00000
    127       1.7512      0.00000
    128       1.8380      0.00000
    129       1.8941      0.00000
    130       1.9582      0.00000
    131       2.0994      0.00000
    132       2.2352      0.00000
    133       2.2479      0.00000
    134       2.2951      0.00000
    135       2.4884      0.00000
    136       2.6062      0.00000
    137       2.6286      0.00000
    138       2.7672      0.00000
    139       2.7865      0.00000
    140       2.8446      0.00000
    141       2.8634      0.00000
    142       2.8901      0.00000
    143       2.9509      0.00000
    144       3.0828      0.00000
    145       3.2795      0.00000
    146       3.2971      0.00000
    147       3.3628      0.00000
    148       3.3921      0.00000
    149       3.4623      0.00000
    150       3.5766      0.00000
    151       3.6236      0.00000
    152       3.6665      0.00000
    153       3.7040      0.00000
    154       3.9025      0.00000
    155       3.9328      0.00000
    156       3.9797      0.00000
    157       4.0767      0.00000
    158       4.1963      0.00000
    159       4.2401      0.00000
    160       4.2930      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2152      1.00000
      2     -22.0088      1.00000
      3     -21.6502      1.00000
      4     -21.6131      1.00000
      5     -20.9138      1.00000
      6     -20.8675      1.00000
      7     -20.5465      1.00000
      8     -20.5072      1.00000
      9     -20.4968      1.00000
     10     -19.9644      1.00000
     11     -19.4431      1.00000
     12     -19.4162      1.00000
     13     -19.2424      1.00000
     14     -19.2280      1.00000
     15     -18.3848      1.00000
     16     -18.3407      1.00000
     17     -17.8606      1.00000
     18     -17.8396      1.00000
     19     -17.6986      1.00000
     20     -17.6561      1.00000
     21     -17.3727      1.00000
     22     -17.3566      1.00000
     23     -17.2751      1.00000
     24     -16.4017      1.00000
     25     -16.3870      1.00000
     26     -15.8973      1.00000
     27     -15.3532      1.00000
     28     -15.3378      1.00000
     29     -15.0352      1.00000
     30     -15.0215      1.00000
     31     -14.8001      1.00000
     32     -14.7756      1.00000
     33     -14.2223      1.00000
     34     -14.1905      1.00000
     35     -13.3712      1.00000
     36     -13.3378      1.00000
     37     -13.1202      1.00000
     38     -13.1030      1.00000
     39     -12.9171      1.00000
     40     -12.9037      1.00000
     41     -12.5570      1.00000
     42     -12.5393      1.00000
     43     -12.1336      1.00000
     44     -11.5222      1.00000
     45     -11.4745      1.00000
     46     -11.2540      1.00000
     47     -11.2203      1.00000
     48     -11.0798      1.00000
     49     -10.6579      1.00000
     50     -10.5888      1.00000
     51     -10.5236      1.00000
     52     -10.2584      1.00000
     53     -10.2496      1.00000
     54     -10.1230      1.00000
     55     -10.0493      1.00000
     56     -10.0413      1.00000
     57      -9.7695      1.00000
     58      -9.7058      1.00000
     59      -9.6805      1.00000
     60      -9.6310      1.00000
     61      -9.6270      1.00000
     62      -9.5888      1.00000
     63      -9.2948      1.00000
     64      -9.2857      1.00000
     65      -9.2536      1.00000
     66      -9.0857      1.00000
     67      -8.8975      1.00000
     68      -8.8841      1.00000
     69      -8.7255      1.00000
     70      -8.5883      1.00000
     71      -8.5144      1.00000
     72      -8.3314      1.00000
     73      -8.3032      1.00000
     74      -8.2651      1.00000
     75      -8.2334      1.00000
     76      -8.1954      1.00000
     77      -8.1863      1.00000
     78      -8.1713      1.00000
     79      -8.0984      1.00000
     80      -7.6890      1.00000
     81      -7.3569      1.00000
     82      -7.3104      1.00000
     83      -7.2653      1.00000
     84      -7.1870      1.00000
     85      -7.1257      1.00000
     86      -7.0774      1.00000
     87      -6.9074      1.00000
     88      -6.8832      1.00000
     89      -6.5496      1.00000
     90      -6.4927      1.00000
     91      -6.2099      1.00000
     92      -6.0695      1.00000
     93      -5.9417      1.00000
     94      -5.7141      1.00000
     95      -5.6334      1.00000
     96      -5.4528      1.00000
     97      -5.3048      1.00000
     98      -5.2348      1.00000
     99      -5.1527      1.00000
    100      -5.1520      1.00000
    101      -4.5195      1.00000
    102      -4.4693      1.00000
    103      -4.1408      1.00000
    104      -3.8324      1.00000
    105      -3.7563      1.00000
    106      -3.6801      1.00000
    107      -1.8708      0.00000
    108      -1.8246      0.00000
    109      -1.2779      0.00000
    110      -1.0363      0.00000
    111      -1.0120      0.00000
    112      -0.7129      0.00000
    113      -0.6400      0.00000
    114      -0.5883      0.00000
    115      -0.5463      0.00000
    116      -0.2048      0.00000
    117       0.2526      0.00000
    118       0.2786      0.00000
    119       0.7592      0.00000
    120       0.9438      0.00000
    121       1.1330      0.00000
    122       1.2271      0.00000
    123       1.3189      0.00000
    124       1.4102      0.00000
    125       1.6011      0.00000
    126       1.6337      0.00000
    127       1.7015      0.00000
    128       1.8200      0.00000
    129       1.9177      0.00000
    130       2.0128      0.00000
    131       2.0896      0.00000
    132       2.3133      0.00000
    133       2.3960      0.00000
    134       2.4324      0.00000
    135       2.5374      0.00000
    136       2.6334      0.00000
    137       2.7407      0.00000
    138       2.8056      0.00000
    139       2.8322      0.00000
    140       2.8846      0.00000
    141       3.0392      0.00000
    142       3.0903      0.00000
    143       3.1860      0.00000
    144       3.2353      0.00000
    145       3.3807      0.00000
    146       3.4213      0.00000
    147       3.4803      0.00000
    148       3.5707      0.00000
    149       3.5975      0.00000
    150       3.6266      0.00000
    151       3.6491      0.00000
    152       3.7388      0.00000
    153       3.7627      0.00000
    154       3.7829      0.00000
    155       3.7924      0.00000
    156       3.8888      0.00000
    157       3.9769      0.00000
    158       4.0021      0.00000
    159       4.1745      0.00000
    160       4.2266      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2490      1.00000
      2     -21.8945      1.00000
      3     -21.8240      1.00000
      4     -21.3125      1.00000
      5     -21.2823      1.00000
      6     -20.7713      1.00000
      7     -20.7055      1.00000
      8     -20.5570      1.00000
      9     -20.0094      1.00000
     10     -20.0022      1.00000
     11     -19.6486      1.00000
     12     -19.6243      1.00000
     13     -18.9300      1.00000
     14     -18.9218      1.00000
     15     -18.5710      1.00000
     16     -18.5573      1.00000
     17     -18.3946      1.00000
     18     -17.6153      1.00000
     19     -17.5594      1.00000
     20     -17.5543      1.00000
     21     -17.5128      1.00000
     22     -17.0562      1.00000
     23     -17.0387      1.00000
     24     -16.8915      1.00000
     25     -15.9297      1.00000
     26     -15.8682      1.00000
     27     -15.5170      1.00000
     28     -15.5160      1.00000
     29     -15.2291      1.00000
     30     -14.7948      1.00000
     31     -14.7677      1.00000
     32     -14.5156      1.00000
     33     -14.4717      1.00000
     34     -14.1023      1.00000
     35     -14.0911      1.00000
     36     -13.0763      1.00000
     37     -13.0334      1.00000
     38     -12.9673      1.00000
     39     -12.9552      1.00000
     40     -12.6454      1.00000
     41     -12.6392      1.00000
     42     -12.2745      1.00000
     43     -12.2433      1.00000
     44     -11.5872      1.00000
     45     -11.5609      1.00000
     46     -11.5071      1.00000
     47     -10.9041      1.00000
     48     -10.8514      1.00000
     49     -10.6202      1.00000
     50     -10.5590      1.00000
     51     -10.4856      1.00000
     52     -10.4339      1.00000
     53     -10.4244      1.00000
     54     -10.3709      1.00000
     55     -10.2942      1.00000
     56     -10.0651      1.00000
     57      -9.8341      1.00000
     58      -9.5482      1.00000
     59      -9.4890      1.00000
     60      -9.4691      1.00000
     61      -9.3467      1.00000
     62      -9.3312      1.00000
     63      -9.3106      1.00000
     64      -9.3089      1.00000
     65      -9.2148      1.00000
     66      -9.1120      1.00000
     67      -9.0810      1.00000
     68      -9.0502      1.00000
     69      -8.8467      1.00000
     70      -8.7933      1.00000
     71      -8.7742      1.00000
     72      -8.5278      1.00000
     73      -8.4752      1.00000
     74      -8.2204      1.00000
     75      -8.1102      1.00000
     76      -8.0994      1.00000
     77      -7.8072      1.00000
     78      -7.7842      1.00000
     79      -7.7814      1.00000
     80      -7.6733      1.00000
     81      -7.6314      1.00000
     82      -7.6305      1.00000
     83      -7.4019      1.00000
     84      -7.3253      1.00000
     85      -7.2013      1.00000
     86      -6.8399      1.00000
     87      -6.8291      1.00000
     88      -6.6609      1.00000
     89      -6.5391      1.00000
     90      -6.3441      1.00000
     91      -6.3074      1.00000
     92      -6.1845      1.00000
     93      -6.1477      1.00000
     94      -5.9782      1.00000
     95      -5.5725      1.00000
     96      -5.4268      1.00000
     97      -5.2595      1.00000
     98      -5.2468      1.00000
     99      -5.1494      1.00000
    100      -4.6953      1.00000
    101      -4.6652      1.00000
    102      -4.3487      1.00000
    103      -4.3127      1.00000
    104      -3.9626      1.00000
    105      -3.8252      1.00000
    106      -3.3900      1.00000
    107      -2.2204      0.00000
    108      -1.3768      0.00000
    109      -1.2874      0.00000
    110      -1.1735      0.00000
    111      -1.0782      0.00000
    112      -0.8938      0.00000
    113      -0.7682      0.00000
    114      -0.7576      0.00000
    115      -0.2211      0.00000
    116       0.1132      0.00000
    117       0.2638      0.00000
    118       0.3461      0.00000
    119       0.7335      0.00000
    120       0.9050      0.00000
    121       0.9720      0.00000
    122       1.0930      0.00000
    123       1.2048      0.00000
    124       1.5299      0.00000
    125       1.5645      0.00000
    126       1.7101      0.00000
    127       1.8376      0.00000
    128       1.8620      0.00000
    129       1.9596      0.00000
    130       1.9991      0.00000
    131       2.1508      0.00000
    132       2.2685      0.00000
    133       2.4418      0.00000
    134       2.4587      0.00000
    135       2.4982      0.00000
    136       2.6659      0.00000
    137       2.6854      0.00000
    138       2.7324      0.00000
    139       2.7416      0.00000
    140       2.8893      0.00000
    141       3.0223      0.00000
    142       3.0808      0.00000
    143       3.1874      0.00000
    144       3.2400      0.00000
    145       3.2488      0.00000
    146       3.2621      0.00000
    147       3.3546      0.00000
    148       3.4763      0.00000
    149       3.5294      0.00000
    150       3.6977      0.00000
    151       3.7448      0.00000
    152       3.7708      0.00000
    153       3.8291      0.00000
    154       3.8763      0.00000
    155       3.9429      0.00000
    156       3.9830      0.00000
    157       4.0126      0.00000
    158       4.0350      0.00000
    159       4.0462      0.00000
    160       4.0858      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1429      1.00000
      2     -22.0478      1.00000
      3     -21.8876      1.00000
      4     -21.3356      1.00000
      5     -20.9826      1.00000
      6     -20.9442      1.00000
      7     -20.4341      1.00000
      8     -20.3917      1.00000
      9     -20.2274      1.00000
     10     -20.2061      1.00000
     11     -19.8899      1.00000
     12     -19.8223      1.00000
     13     -18.8155      1.00000
     14     -18.7445      1.00000
     15     -18.2906      1.00000
     16     -18.2373      1.00000
     17     -18.0866      1.00000
     18     -18.0665      1.00000
     19     -17.7623      1.00000
     20     -17.7199      1.00000
     21     -17.1894      1.00000
     22     -17.1703      1.00000
     23     -17.1003      1.00000
     24     -17.0644      1.00000
     25     -16.0387      1.00000
     26     -15.8236      1.00000
     27     -15.8004      1.00000
     28     -15.7652      1.00000
     29     -15.1743      1.00000
     30     -14.4915      1.00000
     31     -14.4590      1.00000
     32     -14.2184      1.00000
     33     -13.8957      1.00000
     34     -13.8906      1.00000
     35     -13.7564      1.00000
     36     -13.7362      1.00000
     37     -13.5522      1.00000
     38     -13.5036      1.00000
     39     -13.3009      1.00000
     40     -12.5651      1.00000
     41     -12.1254      1.00000
     42     -12.0665      1.00000
     43     -12.0107      1.00000
     44     -11.9522      1.00000
     45     -11.6111      1.00000
     46     -11.5885      1.00000
     47     -11.0849      1.00000
     48     -11.0523      1.00000
     49     -10.7526      1.00000
     50     -10.6643      1.00000
     51     -10.5254      1.00000
     52     -10.1490      1.00000
     53     -10.1391      1.00000
     54     -10.0971      1.00000
     55      -9.9534      1.00000
     56      -9.9482      1.00000
     57      -9.9181      1.00000
     58      -9.7380      1.00000
     59      -9.7318      1.00000
     60      -9.7010      1.00000
     61      -9.6909      1.00000
     62      -9.4282      1.00000
     63      -9.3637      1.00000
     64      -9.0850      1.00000
     65      -9.0070      1.00000
     66      -8.9752      1.00000
     67      -8.8885      1.00000
     68      -8.8122      1.00000
     69      -8.6582      1.00000
     70      -8.6354      1.00000
     71      -8.5769      1.00000
     72      -8.4786      1.00000
     73      -8.4679      1.00000
     74      -8.3985      1.00000
     75      -8.3948      1.00000
     76      -8.1847      1.00000
     77      -8.1135      1.00000
     78      -7.9782      1.00000
     79      -7.9145      1.00000
     80      -7.8472      1.00000
     81      -7.6171      1.00000
     82      -7.5308      1.00000
     83      -7.4693      1.00000
     84      -7.2582      1.00000
     85      -6.9343      1.00000
     86      -6.8582      1.00000
     87      -6.8114      1.00000
     88      -6.5733      1.00000
     89      -6.4672      1.00000
     90      -6.4205      1.00000
     91      -6.3573      1.00000
     92      -6.0516      1.00000
     93      -5.8776      1.00000
     94      -5.7534      1.00000
     95      -5.7222      1.00000
     96      -5.4764      1.00000
     97      -5.3460      1.00000
     98      -5.1806      1.00000
     99      -5.1567      1.00000
    100      -5.1551      1.00000
    101      -4.7067      1.00000
    102      -4.4397      1.00000
    103      -4.2530      1.00000
    104      -3.9938      1.00000
    105      -3.8240      1.00000
    106      -3.1566      1.00000
    107      -2.4634      0.00000
    108      -1.3793      0.00000
    109      -1.2412      0.00000
    110      -1.1465      0.00000
    111      -1.1149      0.00000
    112      -0.5647      0.00000
    113      -0.4348      0.00000
    114      -0.4301      0.00000
    115      -0.3103      0.00000
    116      -0.1906      0.00000
    117       0.0616      0.00000
    118       0.1163      0.00000
    119       0.5403      0.00000
    120       0.6838      0.00000
    121       0.8704      0.00000
    122       0.9665      0.00000
    123       1.1093      0.00000
    124       1.4942      0.00000
    125       1.6610      0.00000
    126       1.8041      0.00000
    127       1.8741      0.00000
    128       2.0935      0.00000
    129       2.1195      0.00000
    130       2.1886      0.00000
    131       2.2118      0.00000
    132       2.3401      0.00000
    133       2.3482      0.00000
    134       2.4845      0.00000
    135       2.5727      0.00000
    136       2.6689      0.00000
    137       2.8803      0.00000
    138       2.9374      0.00000
    139       2.9647      0.00000
    140       2.9885      0.00000
    141       3.0371      0.00000
    142       3.1505      0.00000
    143       3.1683      0.00000
    144       3.2399      0.00000
    145       3.2903      0.00000
    146       3.3328      0.00000
    147       3.3497      0.00000
    148       3.3798      0.00000
    149       3.4020      0.00000
    150       3.4953      0.00000
    151       3.5451      0.00000
    152       3.6235      0.00000
    153       3.6811      0.00000
    154       3.7070      0.00000
    155       3.7151      0.00000
    156       3.9196      0.00000
    157       3.9313      0.00000
    158       4.0549      0.00000
    159       4.0890      0.00000
    160       4.1994      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2488      1.00000
      2     -21.8961      1.00000
      3     -21.8225      1.00000
      4     -21.3171      1.00000
      5     -21.2784      1.00000
      6     -20.7724      1.00000
      7     -20.7034      1.00000
      8     -20.5554      1.00000
      9     -20.0236      1.00000
     10     -19.9914      1.00000
     11     -19.6511      1.00000
     12     -19.6201      1.00000
     13     -18.9440      1.00000
     14     -18.9095      1.00000
     15     -18.5849      1.00000
     16     -18.5473      1.00000
     17     -18.3928      1.00000
     18     -17.6024      1.00000
     19     -17.5711      1.00000
     20     -17.5419      1.00000
     21     -17.5090      1.00000
     22     -17.0750      1.00000
     23     -17.0281      1.00000
     24     -16.9007      1.00000
     25     -15.9459      1.00000
     26     -15.8519      1.00000
     27     -15.5339      1.00000
     28     -15.5074      1.00000
     29     -15.2097      1.00000
     30     -14.8144      1.00000
     31     -14.7620      1.00000
     32     -14.5100      1.00000
     33     -14.4682      1.00000
     34     -14.0968      1.00000
     35     -14.0936      1.00000
     36     -13.1048      1.00000
     37     -13.0305      1.00000
     38     -12.9571      1.00000
     39     -12.9499      1.00000
     40     -12.6560      1.00000
     41     -12.6278      1.00000
     42     -12.2748      1.00000
     43     -12.2477      1.00000
     44     -11.5731      1.00000
     45     -11.5538      1.00000
     46     -11.5012      1.00000
     47     -10.8780      1.00000
     48     -10.8689      1.00000
     49     -10.6802      1.00000
     50     -10.5254      1.00000
     51     -10.5206      1.00000
     52     -10.4340      1.00000
     53     -10.4168      1.00000
     54     -10.3707      1.00000
     55     -10.2885      1.00000
     56     -10.0609      1.00000
     57      -9.8328      1.00000
     58      -9.5588      1.00000
     59      -9.4848      1.00000
     60      -9.4438      1.00000
     61      -9.3560      1.00000
     62      -9.3396      1.00000
     63      -9.3082      1.00000
     64      -9.3033      1.00000
     65      -9.2068      1.00000
     66      -9.0996      1.00000
     67      -9.0686      1.00000
     68      -9.0493      1.00000
     69      -8.8495      1.00000
     70      -8.7971      1.00000
     71      -8.7782      1.00000
     72      -8.5274      1.00000
     73      -8.4964      1.00000
     74      -8.2250      1.00000
     75      -8.1295      1.00000
     76      -8.0932      1.00000
     77      -7.8068      1.00000
     78      -7.7677      1.00000
     79      -7.7406      1.00000
     80      -7.7024      1.00000
     81      -7.6357      1.00000
     82      -7.6248      1.00000
     83      -7.3885      1.00000
     84      -7.3447      1.00000
     85      -7.2205      1.00000
     86      -6.8435      1.00000
     87      -6.8210      1.00000
     88      -6.6392      1.00000
     89      -6.5299      1.00000
     90      -6.3416      1.00000
     91      -6.2735      1.00000
     92      -6.1955      1.00000
     93      -6.1320      1.00000
     94      -6.0208      1.00000
     95      -5.6353      1.00000
     96      -5.5089      1.00000
     97      -5.2979      1.00000
     98      -5.1564      1.00000
     99      -5.0402      1.00000
    100      -4.7250      1.00000
    101      -4.6857      1.00000
    102      -4.3674      1.00000
    103      -4.1831      1.00000
    104      -4.0068      1.00000
    105      -3.8235      1.00000
    106      -3.4845      1.00000
    107      -2.1647      0.00000
    108      -1.3838      0.00000
    109      -1.2355      0.00000
    110      -1.1850      0.00000
    111      -1.0146      0.00000
    112      -0.9561      0.00000
    113      -0.7976      0.00000
    114      -0.7524      0.00000
    115      -0.3678      0.00000
    116       0.2457      0.00000
    117       0.2766      0.00000
    118       0.3637      0.00000
    119       0.6992      0.00000
    120       0.8686      0.00000
    121       0.9658      0.00000
    122       1.1244      0.00000
    123       1.2348      0.00000
    124       1.4542      0.00000
    125       1.5566      0.00000
    126       1.7805      0.00000
    127       1.8492      0.00000
    128       1.8782      0.00000
    129       1.9857      0.00000
    130       2.0266      0.00000
    131       2.1874      0.00000
    132       2.2119      0.00000
    133       2.4028      0.00000
    134       2.4335      0.00000
    135       2.5415      0.00000
    136       2.6583      0.00000
    137       2.6845      0.00000
    138       2.7289      0.00000
    139       2.7660      0.00000
    140       2.8514      0.00000
    141       2.9662      0.00000
    142       3.0780      0.00000
    143       3.1791      0.00000
    144       3.2306      0.00000
    145       3.2510      0.00000
    146       3.2864      0.00000
    147       3.3263      0.00000
    148       3.4762      0.00000
    149       3.5104      0.00000
    150       3.7048      0.00000
    151       3.7214      0.00000
    152       3.7705      0.00000
    153       3.8588      0.00000
    154       3.8693      0.00000
    155       3.8967      0.00000
    156       3.9877      0.00000
    157       3.9976      0.00000
    158       4.0387      0.00000
    159       4.0558      0.00000
    160       4.0854      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3208      1.00000
      2     -21.7626      1.00000
      3     -21.5688      1.00000
      4     -21.5416      1.00000
      5     -21.2061      1.00000
      6     -21.1670      1.00000
      7     -20.9866      1.00000
      8     -20.0996      1.00000
      9     -20.0607      1.00000
     10     -19.5470      1.00000
     11     -19.5272      1.00000
     12     -19.3456      1.00000
     13     -19.0286      1.00000
     14     -18.9889      1.00000
     15     -18.9786      1.00000
     16     -18.9728      1.00000
     17     -18.2966      1.00000
     18     -18.2834      1.00000
     19     -17.9469      1.00000
     20     -17.0010      1.00000
     21     -16.9600      1.00000
     22     -16.8831      1.00000
     23     -16.8704      1.00000
     24     -16.4166      1.00000
     25     -16.3941      1.00000
     26     -15.5415      1.00000
     27     -15.5383      1.00000
     28     -15.1735      1.00000
     29     -15.1717      1.00000
     30     -15.1316      1.00000
     31     -15.0368      1.00000
     32     -15.0020      1.00000
     33     -14.6340      1.00000
     34     -14.6271      1.00000
     35     -13.6633      1.00000
     36     -13.6535      1.00000
     37     -13.1714      1.00000
     38     -12.5728      1.00000
     39     -12.5140      1.00000
     40     -12.3865      1.00000
     41     -12.3857      1.00000
     42     -12.0356      1.00000
     43     -12.0315      1.00000
     44     -11.6556      1.00000
     45     -11.6153      1.00000
     46     -11.2056      1.00000
     47     -11.1579      1.00000
     48     -10.9553      1.00000
     49     -10.9429      1.00000
     50     -10.8610      1.00000
     51     -10.8288      1.00000
     52     -10.6242      1.00000
     53     -10.1461      1.00000
     54     -10.0850      1.00000
     55     -10.0254      1.00000
     56      -9.9464      1.00000
     57      -9.6313      1.00000
     58      -9.6298      1.00000
     59      -9.6037      1.00000
     60      -9.5411      1.00000
     61      -9.5033      1.00000
     62      -9.4800      1.00000
     63      -9.2723      1.00000
     64      -9.2359      1.00000
     65      -9.2079      1.00000
     66      -9.1800      1.00000
     67      -9.0632      1.00000
     68      -9.0474      1.00000
     69      -9.0439      1.00000
     70      -8.8775      1.00000
     71      -8.8092      1.00000
     72      -8.5336      1.00000
     73      -8.5334      1.00000
     74      -8.4972      1.00000
     75      -8.0313      1.00000
     76      -7.8318      1.00000
     77      -7.7994      1.00000
     78      -7.7750      1.00000
     79      -7.7033      1.00000
     80      -7.6851      1.00000
     81      -7.4150      1.00000
     82      -7.2871      1.00000
     83      -7.2523      1.00000
     84      -7.2038      1.00000
     85      -7.0815      1.00000
     86      -7.0763      1.00000
     87      -6.9385      1.00000
     88      -6.7112      1.00000
     89      -6.6747      1.00000
     90      -6.6300      1.00000
     91      -6.5579      1.00000
     92      -6.0716      1.00000
     93      -6.0317      1.00000
     94      -6.0012      1.00000
     95      -5.9382      1.00000
     96      -5.7995      1.00000
     97      -5.1790      1.00000
     98      -4.8935      1.00000
     99      -4.7937      1.00000
    100      -4.6110      1.00000
    101      -4.5121      1.00000
    102      -4.1396      1.00000
    103      -4.0903      1.00000
    104      -3.9307      1.00000
    105      -3.9154      1.00000
    106      -3.8229      1.00000
    107      -1.7521      0.00000
    108      -1.6962      0.00000
    109      -1.4108      0.00000
    110      -1.3705      0.00000
    111      -1.2647      0.00000
    112      -1.2367      0.00000
    113      -0.6256      0.00000
    114      -0.5987      0.00000
    115      -0.1898      0.00000
    116       0.0408      0.00000
    117       0.5834      0.00000
    118       0.7413      0.00000
    119       0.8494      0.00000
    120       0.9283      0.00000
    121       1.1671      0.00000
    122       1.2109      0.00000
    123       1.2452      0.00000
    124       1.4191      0.00000
    125       1.5967      0.00000
    126       1.6358      0.00000
    127       1.7048      0.00000
    128       1.7967      0.00000
    129       1.9209      0.00000
    130       1.9401      0.00000
    131       2.1421      0.00000
    132       2.1732      0.00000
    133       2.2591      0.00000
    134       2.3000      0.00000
    135       2.5420      0.00000
    136       2.5601      0.00000
    137       2.6208      0.00000
    138       2.7592      0.00000
    139       2.7988      0.00000
    140       2.8307      0.00000
    141       2.8931      0.00000
    142       2.9348      0.00000
    143       3.0122      0.00000
    144       3.0287      0.00000
    145       3.0884      0.00000
    146       3.3024      0.00000
    147       3.3518      0.00000
    148       3.4062      0.00000
    149       3.4731      0.00000
    150       3.5944      0.00000
    151       3.6539      0.00000
    152       3.6540      0.00000
    153       3.6768      0.00000
    154       3.8875      0.00000
    155       3.9696      0.00000
    156       4.0162      0.00000
    157       4.0729      0.00000
    158       4.2306      0.00000
    159       4.2546      0.00000
    160       4.2607      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1420      1.00000
      2     -22.0492      1.00000
      3     -21.8871      1.00000
      4     -21.3365      1.00000
      5     -20.9777      1.00000
      6     -20.9483      1.00000
      7     -20.4289      1.00000
      8     -20.3970      1.00000
      9     -20.2168      1.00000
     10     -20.2152      1.00000
     11     -19.8887      1.00000
     12     -19.8250      1.00000
     13     -18.8185      1.00000
     14     -18.7479      1.00000
     15     -18.2664      1.00000
     16     -18.2526      1.00000
     17     -18.0809      1.00000
     18     -18.0746      1.00000
     19     -17.7465      1.00000
     20     -17.7309      1.00000
     21     -17.1954      1.00000
     22     -17.1724      1.00000
     23     -17.0891      1.00000
     24     -17.0688      1.00000
     25     -16.0549      1.00000
     26     -15.8093      1.00000
     27     -15.7997      1.00000
     28     -15.7785      1.00000
     29     -15.1595      1.00000
     30     -14.4863      1.00000
     31     -14.4650      1.00000
     32     -14.2045      1.00000
     33     -13.9168      1.00000
     34     -13.8872      1.00000
     35     -13.7597      1.00000
     36     -13.7394      1.00000
     37     -13.5366      1.00000
     38     -13.5111      1.00000
     39     -13.3024      1.00000
     40     -12.5776      1.00000
     41     -12.1015      1.00000
     42     -12.0776      1.00000
     43     -11.9992      1.00000
     44     -11.9519      1.00000
     45     -11.6058      1.00000
     46     -11.5985      1.00000
     47     -11.0842      1.00000
     48     -11.0618      1.00000
     49     -10.7321      1.00000
     50     -10.6655      1.00000
     51     -10.5574      1.00000
     52     -10.1403      1.00000
     53     -10.1358      1.00000
     54     -10.1017      1.00000
     55      -9.9664      1.00000
     56      -9.9259      1.00000
     57      -9.9227      1.00000
     58      -9.7508      1.00000
     59      -9.7297      1.00000
     60      -9.6980      1.00000
     61      -9.6953      1.00000
     62      -9.4003      1.00000
     63      -9.3897      1.00000
     64      -9.0682      1.00000
     65      -8.9830      1.00000
     66      -8.9818      1.00000
     67      -8.9058      1.00000
     68      -8.8130      1.00000
     69      -8.6495      1.00000
     70      -8.6343      1.00000
     71      -8.5463      1.00000
     72      -8.5022      1.00000
     73      -8.4831      1.00000
     74      -8.3949      1.00000
     75      -8.3829      1.00000
     76      -8.2102      1.00000
     77      -8.1016      1.00000
     78      -8.0076      1.00000
     79      -7.9015      1.00000
     80      -7.8433      1.00000
     81      -7.6221      1.00000
     82      -7.5335      1.00000
     83      -7.4574      1.00000
     84      -7.2546      1.00000
     85      -6.9431      1.00000
     86      -6.8689      1.00000
     87      -6.8106      1.00000
     88      -6.4787      1.00000
     89      -6.4683      1.00000
     90      -6.4101      1.00000
     91      -6.3605      1.00000
     92      -6.1872      1.00000
     93      -5.8587      1.00000
     94      -5.7381      1.00000
     95      -5.7119      1.00000
     96      -5.5227      1.00000
     97      -5.3294      1.00000
     98      -5.1726      1.00000
     99      -5.1681      1.00000
    100      -5.1347      1.00000
    101      -4.6959      1.00000
    102      -4.3482      1.00000
    103      -4.2769      1.00000
    104      -4.0266      1.00000
    105      -3.8250      1.00000
    106      -3.2336      1.00000
    107      -2.4056      0.00000
    108      -1.3458      0.00000
    109      -1.2440      0.00000
    110      -1.1535      0.00000
    111      -1.1087      0.00000
    112      -0.5838      0.00000
    113      -0.5211      0.00000
    114      -0.4339      0.00000
    115      -0.2749      0.00000
    116      -0.0721      0.00000
    117      -0.0116      0.00000
    118       0.0598      0.00000
    119       0.5839      0.00000
    120       0.7103      0.00000
    121       0.8091      0.00000
    122       0.9416      0.00000
    123       1.1814      0.00000
    124       1.5097      0.00000
    125       1.6181      0.00000
    126       1.8586      0.00000
    127       2.0048      0.00000
    128       2.0503      0.00000
    129       2.1128      0.00000
    130       2.1281      0.00000
    131       2.2515      0.00000
    132       2.2852      0.00000
    133       2.3448      0.00000
    134       2.4518      0.00000
    135       2.6069      0.00000
    136       2.7005      0.00000
    137       2.8201      0.00000
    138       2.9146      0.00000
    139       2.9421      0.00000
    140       3.0075      0.00000
    141       3.0447      0.00000
    142       3.1520      0.00000
    143       3.1576      0.00000
    144       3.2195      0.00000
    145       3.2995      0.00000
    146       3.3099      0.00000
    147       3.3531      0.00000
    148       3.3730      0.00000
    149       3.4167      0.00000
    150       3.4350      0.00000
    151       3.5532      0.00000
    152       3.6052      0.00000
    153       3.6882      0.00000
    154       3.7145      0.00000
    155       3.8476      0.00000
    156       3.8980      0.00000
    157       3.9320      0.00000
    158       3.9570      0.00000
    159       4.1484      0.00000
    160       4.1820      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2147      1.00000
      2     -22.0095      1.00000
      3     -21.6475      1.00000
      4     -21.6162      1.00000
      5     -20.9110      1.00000
      6     -20.8702      1.00000
      7     -20.5403      1.00000
      8     -20.5077      1.00000
      9     -20.5009      1.00000
     10     -19.9634      1.00000
     11     -19.4417      1.00000
     12     -19.4202      1.00000
     13     -19.2411      1.00000
     14     -19.2340      1.00000
     15     -18.3771      1.00000
     16     -18.3419      1.00000
     17     -17.8596      1.00000
     18     -17.8438      1.00000
     19     -17.6922      1.00000
     20     -17.6562      1.00000
     21     -17.3730      1.00000
     22     -17.3590      1.00000
     23     -17.2678      1.00000
     24     -16.4142      1.00000
     25     -16.3909      1.00000
     26     -15.9059      1.00000
     27     -15.3444      1.00000
     28     -15.3396      1.00000
     29     -15.0319      1.00000
     30     -15.0223      1.00000
     31     -14.7769      1.00000
     32     -14.7745      1.00000
     33     -14.2380      1.00000
     34     -14.1879      1.00000
     35     -13.3878      1.00000
     36     -13.3343      1.00000
     37     -13.1117      1.00000
     38     -13.1037      1.00000
     39     -12.9188      1.00000
     40     -12.9134      1.00000
     41     -12.5459      1.00000
     42     -12.5382      1.00000
     43     -12.1340      1.00000
     44     -11.5145      1.00000
     45     -11.4701      1.00000
     46     -11.2455      1.00000
     47     -11.2139      1.00000
     48     -11.0865      1.00000
     49     -10.7033      1.00000
     50     -10.5964      1.00000
     51     -10.5095      1.00000
     52     -10.2522      1.00000
     53     -10.2482      1.00000
     54     -10.1222      1.00000
     55     -10.0549      1.00000
     56     -10.0396      1.00000
     57      -9.7844      1.00000
     58      -9.6878      1.00000
     59      -9.6748      1.00000
     60      -9.6382      1.00000
     61      -9.6285      1.00000
     62      -9.5869      1.00000
     63      -9.2960      1.00000
     64      -9.2842      1.00000
     65      -9.2537      1.00000
     66      -9.0632      1.00000
     67      -8.8954      1.00000
     68      -8.8843      1.00000
     69      -8.7194      1.00000
     70      -8.5802      1.00000
     71      -8.5267      1.00000
     72      -8.3510      1.00000
     73      -8.3053      1.00000
     74      -8.2441      1.00000
     75      -8.2383      1.00000
     76      -8.1952      1.00000
     77      -8.1816      1.00000
     78      -8.1704      1.00000
     79      -8.1052      1.00000
     80      -7.6898      1.00000
     81      -7.4195      1.00000
     82      -7.3431      1.00000
     83      -7.2599      1.00000
     84      -7.1692      1.00000
     85      -7.1111      1.00000
     86      -7.0053      1.00000
     87      -6.9046      1.00000
     88      -6.8487      1.00000
     89      -6.5421      1.00000
     90      -6.4989      1.00000
     91      -6.2097      1.00000
     92      -6.2018      1.00000
     93      -5.8951      1.00000
     94      -5.6736      1.00000
     95      -5.6071      1.00000
     96      -5.5812      1.00000
     97      -5.2537      1.00000
     98      -5.2316      1.00000
     99      -5.1654      1.00000
    100      -5.1352      1.00000
    101      -4.5987      1.00000
    102      -4.2471      1.00000
    103      -4.0432      1.00000
    104      -3.8851      1.00000
    105      -3.8382      1.00000
    106      -3.8000      1.00000
    107      -1.8081      0.00000
    108      -1.7809      0.00000
    109      -1.2261      0.00000
    110      -1.1755      0.00000
    111      -0.9741      0.00000
    112      -0.7348      0.00000
    113      -0.6497      0.00000
    114      -0.5938      0.00000
    115      -0.5503      0.00000
    116      -0.1552      0.00000
    117       0.1769      0.00000
    118       0.2875      0.00000
    119       0.7051      0.00000
    120       0.9473      0.00000
    121       1.1696      0.00000
    122       1.2779      0.00000
    123       1.3431      0.00000
    124       1.5109      0.00000
    125       1.6081      0.00000
    126       1.6279      0.00000
    127       1.6918      0.00000
    128       1.7730      0.00000
    129       1.8594      0.00000
    130       2.0630      0.00000
    131       2.1580      0.00000
    132       2.3088      0.00000
    133       2.3940      0.00000
    134       2.4203      0.00000
    135       2.5535      0.00000
    136       2.6246      0.00000
    137       2.6863      0.00000
    138       2.7297      0.00000
    139       2.8007      0.00000
    140       2.9054      0.00000
    141       3.0476      0.00000
    142       3.0616      0.00000
    143       3.1813      0.00000
    144       3.2780      0.00000
    145       3.3798      0.00000
    146       3.4081      0.00000
    147       3.4564      0.00000
    148       3.5420      0.00000
    149       3.5706      0.00000
    150       3.6329      0.00000
    151       3.6616      0.00000
    152       3.7011      0.00000
    153       3.7756      0.00000
    154       3.7800      0.00000
    155       3.8227      0.00000
    156       3.8924      0.00000
    157       3.9014      0.00000
    158       3.9708      0.00000
    159       4.1879      0.00000
    160       4.2261      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3574      1.00000
      2     -21.5375      1.00000
      3     -21.4080      1.00000
      4     -21.4070      1.00000
      5     -21.3757      1.00000
      6     -21.3666      1.00000
      7     -21.3594      1.00000
      8     -19.6467      1.00000
      9     -19.5731      1.00000
     10     -19.5661      1.00000
     11     -19.5593      1.00000
     12     -19.5410      1.00000
     13     -19.5383      1.00000
     14     -18.7287      1.00000
     15     -18.6802      1.00000
     16     -18.6731      1.00000
     17     -18.6595      1.00000
     18     -18.6438      1.00000
     19     -18.6423      1.00000
     20     -16.5863      1.00000
     21     -16.5269      1.00000
     22     -16.5244      1.00000
     23     -16.5118      1.00000
     24     -16.4873      1.00000
     25     -16.4856      1.00000
     26     -15.5590      1.00000
     27     -15.5267      1.00000
     28     -15.5261      1.00000
     29     -15.5006      1.00000
     30     -15.4959      1.00000
     31     -15.4897      1.00000
     32     -14.2065      1.00000
     33     -14.1809      1.00000
     34     -14.1679      1.00000
     35     -14.1658      1.00000
     36     -14.1604      1.00000
     37     -14.1493      1.00000
     38     -11.8827      1.00000
     39     -11.8080      1.00000
     40     -11.7928      1.00000
     41     -11.7922      1.00000
     42     -11.7893      1.00000
     43     -11.7833      1.00000
     44     -11.7054      1.00000
     45     -11.6985      1.00000
     46     -11.6733      1.00000
     47     -11.6585      1.00000
     48     -11.6584      1.00000
     49     -11.6510      1.00000
     50     -10.6724      1.00000
     51     -10.3296      1.00000
     52     -10.3214      1.00000
     53     -10.3061      1.00000
     54     -10.3048      1.00000
     55     -10.2914      1.00000
     56     -10.2786      1.00000
     57      -9.9257      1.00000
     58      -9.3733      1.00000
     59      -9.3600      1.00000
     60      -9.3009      1.00000
     61      -9.2927      1.00000
     62      -9.2860      1.00000
     63      -9.0922      1.00000
     64      -9.0546      1.00000
     65      -9.0499      1.00000
     66      -9.0271      1.00000
     67      -9.0069      1.00000
     68      -9.0026      1.00000
     69      -9.0008      1.00000
     70      -8.9959      1.00000
     71      -8.9920      1.00000
     72      -8.9727      1.00000
     73      -8.9657      1.00000
     74      -8.9539      1.00000
     75      -8.4918      1.00000
     76      -7.5145      1.00000
     77      -7.4101      1.00000
     78      -7.4098      1.00000
     79      -7.3993      1.00000
     80      -7.3844      1.00000
     81      -7.3639      1.00000
     82      -7.3423      1.00000
     83      -7.3109      1.00000
     84      -7.2687      1.00000
     85      -7.2073      1.00000
     86      -7.1807      1.00000
     87      -7.1804      1.00000
     88      -7.0763      1.00000
     89      -6.5077      1.00000
     90      -6.4615      1.00000
     91      -6.3560      1.00000
     92      -6.2943      1.00000
     93      -6.2883      1.00000
     94      -6.2870      1.00000
     95      -5.8973      1.00000
     96      -5.8850      1.00000
     97      -5.0424      1.00000
     98      -4.9362      1.00000
     99      -4.5381      1.00000
    100      -4.3413      1.00000
    101      -4.3183      1.00000
    102      -4.3175      1.00000
    103      -4.1155      1.00000
    104      -3.9111      1.00000
    105      -3.9009      1.00000
    106      -3.8287      1.00000
    107      -1.6819      0.00000
    108      -1.6673      0.00000
    109      -1.5372      0.00000
    110      -1.5361      0.00000
    111      -1.5228      0.00000
    112      -1.5095      0.00000
    113      -0.5878      0.00000
    114       0.1338      0.00000
    115       0.2072      0.00000
    116       0.3247      0.00000
    117       0.3262      0.00000
    118       0.3336      0.00000
    119       0.4947      0.00000
    120       0.5953      0.00000
    121       1.2584      0.00000
    122       1.2708      0.00000
    123       1.5238      0.00000
    124       1.7817      0.00000
    125       1.8038      0.00000
    126       1.8071      0.00000
    127       1.8119      0.00000
    128       1.9460      0.00000
    129       1.9794      0.00000
    130       2.0320      0.00000
    131       2.0454      0.00000
    132       2.0504      0.00000
    133       2.0552      0.00000
    134       2.0587      0.00000
    135       2.3062      0.00000
    136       2.3179      0.00000
    137       2.6132      0.00000
    138       2.6207      0.00000
    139       2.6492      0.00000
    140       2.7152      0.00000
    141       2.8626      0.00000
    142       3.0162      0.00000
    143       3.0442      0.00000
    144       3.0699      0.00000
    145       3.0726      0.00000
    146       3.0747      0.00000
    147       3.0952      0.00000
    148       3.2280      0.00000
    149       3.4348      0.00000
    150       3.5371      0.00000
    151       3.7822      0.00000
    152       3.9405      0.00000
    153       3.9411      0.00000
    154       3.9455      0.00000
    155       3.9519      0.00000
    156       3.9968      0.00000
    157       4.1760      0.00000
    158       4.2626      0.00000
    159       4.2850      0.00000
    160       4.2858      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3208      1.00000
      2     -21.7622      1.00000
      3     -21.5715      1.00000
      4     -21.5387      1.00000
      5     -21.2086      1.00000
      6     -21.1638      1.00000
      7     -20.9880      1.00000
      8     -20.1025      1.00000
      9     -20.0584      1.00000
     10     -19.5469      1.00000
     11     -19.5224      1.00000
     12     -19.3499      1.00000
     13     -19.0254      1.00000
     14     -18.9902      1.00000
     15     -18.9823      1.00000
     16     -18.9699      1.00000
     17     -18.2980      1.00000
     18     -18.2787      1.00000
     19     -17.9527      1.00000
     20     -17.0102      1.00000
     21     -16.9603      1.00000
     22     -16.8793      1.00000
     23     -16.8691      1.00000
     24     -16.4052      1.00000
     25     -16.3904      1.00000
     26     -15.5525      1.00000
     27     -15.5364      1.00000
     28     -15.1983      1.00000
     29     -15.1698      1.00000
     30     -15.1154      1.00000
     31     -15.0281      1.00000
     32     -15.0036      1.00000
     33     -14.6367      1.00000
     34     -14.6250      1.00000
     35     -13.6677      1.00000
     36     -13.6525      1.00000
     37     -13.1701      1.00000
     38     -12.5511      1.00000
     39     -12.5181      1.00000
     40     -12.3916      1.00000
     41     -12.3787      1.00000
     42     -12.0574      1.00000
     43     -12.0349      1.00000
     44     -11.6596      1.00000
     45     -11.6176      1.00000
     46     -11.1806      1.00000
     47     -11.1569      1.00000
     48     -10.9650      1.00000
     49     -10.9413      1.00000
     50     -10.8739      1.00000
     51     -10.8377      1.00000
     52     -10.6024      1.00000
     53     -10.0934      1.00000
     54     -10.0891      1.00000
     55     -10.0460      1.00000
     56      -9.9705      1.00000
     57      -9.6546      1.00000
     58      -9.6296      1.00000
     59      -9.5927      1.00000
     60      -9.5298      1.00000
     61      -9.5112      1.00000
     62      -9.4797      1.00000
     63      -9.2641      1.00000
     64      -9.2417      1.00000
     65      -9.2215      1.00000
     66      -9.1667      1.00000
     67      -9.0691      1.00000
     68      -9.0475      1.00000
     69      -9.0413      1.00000
     70      -8.8832      1.00000
     71      -8.8065      1.00000
     72      -8.5761      1.00000
     73      -8.5224      1.00000
     74      -8.4570      1.00000
     75      -8.0353      1.00000
     76      -7.8110      1.00000
     77      -7.8073      1.00000
     78      -7.7927      1.00000
     79      -7.7006      1.00000
     80      -7.6912      1.00000
     81      -7.3644      1.00000
     82      -7.2737      1.00000
     83      -7.2646      1.00000
     84      -7.2163      1.00000
     85      -7.1733      1.00000
     86      -7.0093      1.00000
     87      -6.9476      1.00000
     88      -6.7463      1.00000
     89      -6.6727      1.00000
     90      -6.5950      1.00000
     91      -6.5600      1.00000
     92      -6.0504      1.00000
     93      -6.0469      1.00000
     94      -6.0218      1.00000
     95      -5.9594      1.00000
     96      -5.7371      1.00000
     97      -5.1525      1.00000
     98      -4.9890      1.00000
     99      -4.7187      1.00000
    100      -4.6112      1.00000
    101      -4.4389      1.00000
    102      -4.3731      1.00000
    103      -4.1212      1.00000
    104      -3.8672      1.00000
    105      -3.8292      1.00000
    106      -3.7902      1.00000
    107      -1.7850      0.00000
    108      -1.7390      0.00000
    109      -1.3951      0.00000
    110      -1.3464      0.00000
    111      -1.2646      0.00000
    112      -1.2263      0.00000
    113      -0.7461      0.00000
    114      -0.3802      0.00000
    115      -0.2204      0.00000
    116      -0.0198      0.00000
    117       0.5893      0.00000
    118       0.7369      0.00000
    119       0.7647      0.00000
    120       1.0502      0.00000
    121       1.1415      0.00000
    122       1.2502      0.00000
    123       1.2693      0.00000
    124       1.4128      0.00000
    125       1.4790      0.00000
    126       1.5830      0.00000
    127       1.7512      0.00000
    128       1.8380      0.00000
    129       1.8941      0.00000
    130       1.9582      0.00000
    131       2.0994      0.00000
    132       2.2352      0.00000
    133       2.2479      0.00000
    134       2.2951      0.00000
    135       2.4884      0.00000
    136       2.6062      0.00000
    137       2.6286      0.00000
    138       2.7672      0.00000
    139       2.7865      0.00000
    140       2.8446      0.00000
    141       2.8634      0.00000
    142       2.8901      0.00000
    143       2.9509      0.00000
    144       3.0828      0.00000
    145       3.2795      0.00000
    146       3.2971      0.00000
    147       3.3628      0.00000
    148       3.3921      0.00000
    149       3.4623      0.00000
    150       3.5766      0.00000
    151       3.6236      0.00000
    152       3.6665      0.00000
    153       3.7040      0.00000
    154       3.9025      0.00000
    155       3.9328      0.00000
    156       3.9797      0.00000
    157       4.0767      0.00000
    158       4.1963      0.00000
    159       4.2401      0.00000
    160       4.2930      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2152      1.00000
      2     -22.0088      1.00000
      3     -21.6502      1.00000
      4     -21.6131      1.00000
      5     -20.9138      1.00000
      6     -20.8675      1.00000
      7     -20.5465      1.00000
      8     -20.5072      1.00000
      9     -20.4968      1.00000
     10     -19.9644      1.00000
     11     -19.4431      1.00000
     12     -19.4162      1.00000
     13     -19.2424      1.00000
     14     -19.2280      1.00000
     15     -18.3848      1.00000
     16     -18.3407      1.00000
     17     -17.8606      1.00000
     18     -17.8396      1.00000
     19     -17.6986      1.00000
     20     -17.6561      1.00000
     21     -17.3727      1.00000
     22     -17.3566      1.00000
     23     -17.2751      1.00000
     24     -16.4017      1.00000
     25     -16.3870      1.00000
     26     -15.8973      1.00000
     27     -15.3532      1.00000
     28     -15.3378      1.00000
     29     -15.0352      1.00000
     30     -15.0215      1.00000
     31     -14.8001      1.00000
     32     -14.7756      1.00000
     33     -14.2223      1.00000
     34     -14.1905      1.00000
     35     -13.3712      1.00000
     36     -13.3378      1.00000
     37     -13.1202      1.00000
     38     -13.1030      1.00000
     39     -12.9171      1.00000
     40     -12.9037      1.00000
     41     -12.5570      1.00000
     42     -12.5393      1.00000
     43     -12.1336      1.00000
     44     -11.5222      1.00000
     45     -11.4745      1.00000
     46     -11.2540      1.00000
     47     -11.2203      1.00000
     48     -11.0798      1.00000
     49     -10.6579      1.00000
     50     -10.5888      1.00000
     51     -10.5236      1.00000
     52     -10.2584      1.00000
     53     -10.2496      1.00000
     54     -10.1230      1.00000
     55     -10.0493      1.00000
     56     -10.0413      1.00000
     57      -9.7695      1.00000
     58      -9.7058      1.00000
     59      -9.6805      1.00000
     60      -9.6310      1.00000
     61      -9.6270      1.00000
     62      -9.5888      1.00000
     63      -9.2948      1.00000
     64      -9.2857      1.00000
     65      -9.2536      1.00000
     66      -9.0857      1.00000
     67      -8.8975      1.00000
     68      -8.8841      1.00000
     69      -8.7255      1.00000
     70      -8.5883      1.00000
     71      -8.5144      1.00000
     72      -8.3314      1.00000
     73      -8.3032      1.00000
     74      -8.2651      1.00000
     75      -8.2334      1.00000
     76      -8.1954      1.00000
     77      -8.1863      1.00000
     78      -8.1713      1.00000
     79      -8.0984      1.00000
     80      -7.6890      1.00000
     81      -7.3569      1.00000
     82      -7.3104      1.00000
     83      -7.2653      1.00000
     84      -7.1870      1.00000
     85      -7.1257      1.00000
     86      -7.0774      1.00000
     87      -6.9074      1.00000
     88      -6.8832      1.00000
     89      -6.5496      1.00000
     90      -6.4927      1.00000
     91      -6.2099      1.00000
     92      -6.0695      1.00000
     93      -5.9417      1.00000
     94      -5.7141      1.00000
     95      -5.6334      1.00000
     96      -5.4528      1.00000
     97      -5.3048      1.00000
     98      -5.2348      1.00000
     99      -5.1527      1.00000
    100      -5.1520      1.00000
    101      -4.5195      1.00000
    102      -4.4693      1.00000
    103      -4.1408      1.00000
    104      -3.8324      1.00000
    105      -3.7563      1.00000
    106      -3.6801      1.00000
    107      -1.8708      0.00000
    108      -1.8246      0.00000
    109      -1.2779      0.00000
    110      -1.0363      0.00000
    111      -1.0120      0.00000
    112      -0.7129      0.00000
    113      -0.6400      0.00000
    114      -0.5883      0.00000
    115      -0.5463      0.00000
    116      -0.2048      0.00000
    117       0.2526      0.00000
    118       0.2786      0.00000
    119       0.7592      0.00000
    120       0.9438      0.00000
    121       1.1330      0.00000
    122       1.2271      0.00000
    123       1.3189      0.00000
    124       1.4102      0.00000
    125       1.6011      0.00000
    126       1.6337      0.00000
    127       1.7015      0.00000
    128       1.8200      0.00000
    129       1.9177      0.00000
    130       2.0128      0.00000
    131       2.0896      0.00000
    132       2.3133      0.00000
    133       2.3960      0.00000
    134       2.4324      0.00000
    135       2.5374      0.00000
    136       2.6334      0.00000
    137       2.7407      0.00000
    138       2.8056      0.00000
    139       2.8322      0.00000
    140       2.8846      0.00000
    141       3.0392      0.00000
    142       3.0903      0.00000
    143       3.1860      0.00000
    144       3.2353      0.00000
    145       3.3807      0.00000
    146       3.4213      0.00000
    147       3.4803      0.00000
    148       3.5707      0.00000
    149       3.5975      0.00000
    150       3.6266      0.00000
    151       3.6491      0.00000
    152       3.7388      0.00000
    153       3.7627      0.00000
    154       3.7829      0.00000
    155       3.7924      0.00000
    156       3.8888      0.00000
    157       3.9769      0.00000
    158       4.0021      0.00000
    159       4.1745      0.00000
    160       4.2266      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2490      1.00000
      2     -21.8945      1.00000
      3     -21.8240      1.00000
      4     -21.3125      1.00000
      5     -21.2823      1.00000
      6     -20.7713      1.00000
      7     -20.7055      1.00000
      8     -20.5570      1.00000
      9     -20.0094      1.00000
     10     -20.0022      1.00000
     11     -19.6486      1.00000
     12     -19.6243      1.00000
     13     -18.9300      1.00000
     14     -18.9218      1.00000
     15     -18.5710      1.00000
     16     -18.5573      1.00000
     17     -18.3946      1.00000
     18     -17.6153      1.00000
     19     -17.5594      1.00000
     20     -17.5543      1.00000
     21     -17.5128      1.00000
     22     -17.0562      1.00000
     23     -17.0387      1.00000
     24     -16.8915      1.00000
     25     -15.9297      1.00000
     26     -15.8682      1.00000
     27     -15.5170      1.00000
     28     -15.5160      1.00000
     29     -15.2291      1.00000
     30     -14.7948      1.00000
     31     -14.7677      1.00000
     32     -14.5156      1.00000
     33     -14.4717      1.00000
     34     -14.1023      1.00000
     35     -14.0911      1.00000
     36     -13.0763      1.00000
     37     -13.0334      1.00000
     38     -12.9673      1.00000
     39     -12.9552      1.00000
     40     -12.6454      1.00000
     41     -12.6392      1.00000
     42     -12.2745      1.00000
     43     -12.2433      1.00000
     44     -11.5872      1.00000
     45     -11.5609      1.00000
     46     -11.5071      1.00000
     47     -10.9041      1.00000
     48     -10.8514      1.00000
     49     -10.6202      1.00000
     50     -10.5590      1.00000
     51     -10.4856      1.00000
     52     -10.4339      1.00000
     53     -10.4244      1.00000
     54     -10.3709      1.00000
     55     -10.2942      1.00000
     56     -10.0651      1.00000
     57      -9.8341      1.00000
     58      -9.5482      1.00000
     59      -9.4890      1.00000
     60      -9.4691      1.00000
     61      -9.3467      1.00000
     62      -9.3312      1.00000
     63      -9.3106      1.00000
     64      -9.3089      1.00000
     65      -9.2148      1.00000
     66      -9.1120      1.00000
     67      -9.0810      1.00000
     68      -9.0502      1.00000
     69      -8.8467      1.00000
     70      -8.7933      1.00000
     71      -8.7742      1.00000
     72      -8.5278      1.00000
     73      -8.4752      1.00000
     74      -8.2204      1.00000
     75      -8.1102      1.00000
     76      -8.0994      1.00000
     77      -7.8072      1.00000
     78      -7.7842      1.00000
     79      -7.7814      1.00000
     80      -7.6733      1.00000
     81      -7.6314      1.00000
     82      -7.6305      1.00000
     83      -7.4019      1.00000
     84      -7.3253      1.00000
     85      -7.2013      1.00000
     86      -6.8399      1.00000
     87      -6.8291      1.00000
     88      -6.6609      1.00000
     89      -6.5391      1.00000
     90      -6.3441      1.00000
     91      -6.3074      1.00000
     92      -6.1845      1.00000
     93      -6.1477      1.00000
     94      -5.9782      1.00000
     95      -5.5725      1.00000
     96      -5.4268      1.00000
     97      -5.2595      1.00000
     98      -5.2468      1.00000
     99      -5.1494      1.00000
    100      -4.6953      1.00000
    101      -4.6652      1.00000
    102      -4.3487      1.00000
    103      -4.3127      1.00000
    104      -3.9626      1.00000
    105      -3.8252      1.00000
    106      -3.3900      1.00000
    107      -2.2204      0.00000
    108      -1.3768      0.00000
    109      -1.2874      0.00000
    110      -1.1735      0.00000
    111      -1.0782      0.00000
    112      -0.8938      0.00000
    113      -0.7682      0.00000
    114      -0.7576      0.00000
    115      -0.2211      0.00000
    116       0.1132      0.00000
    117       0.2638      0.00000
    118       0.3461      0.00000
    119       0.7335      0.00000
    120       0.9050      0.00000
    121       0.9720      0.00000
    122       1.0930      0.00000
    123       1.2048      0.00000
    124       1.5299      0.00000
    125       1.5645      0.00000
    126       1.7101      0.00000
    127       1.8376      0.00000
    128       1.8620      0.00000
    129       1.9596      0.00000
    130       1.9991      0.00000
    131       2.1508      0.00000
    132       2.2685      0.00000
    133       2.4418      0.00000
    134       2.4587      0.00000
    135       2.4982      0.00000
    136       2.6659      0.00000
    137       2.6854      0.00000
    138       2.7324      0.00000
    139       2.7416      0.00000
    140       2.8893      0.00000
    141       3.0223      0.00000
    142       3.0808      0.00000
    143       3.1874      0.00000
    144       3.2400      0.00000
    145       3.2488      0.00000
    146       3.2621      0.00000
    147       3.3546      0.00000
    148       3.4763      0.00000
    149       3.5294      0.00000
    150       3.6977      0.00000
    151       3.7448      0.00000
    152       3.7708      0.00000
    153       3.8291      0.00000
    154       3.8763      0.00000
    155       3.9429      0.00000
    156       3.9830      0.00000
    157       4.0126      0.00000
    158       4.0350      0.00000
    159       4.0462      0.00000
    160       4.0858      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1429      1.00000
      2     -22.0478      1.00000
      3     -21.8876      1.00000
      4     -21.3356      1.00000
      5     -20.9826      1.00000
      6     -20.9442      1.00000
      7     -20.4341      1.00000
      8     -20.3917      1.00000
      9     -20.2274      1.00000
     10     -20.2061      1.00000
     11     -19.8899      1.00000
     12     -19.8223      1.00000
     13     -18.8155      1.00000
     14     -18.7445      1.00000
     15     -18.2906      1.00000
     16     -18.2373      1.00000
     17     -18.0866      1.00000
     18     -18.0665      1.00000
     19     -17.7623      1.00000
     20     -17.7199      1.00000
     21     -17.1894      1.00000
     22     -17.1703      1.00000
     23     -17.1003      1.00000
     24     -17.0644      1.00000
     25     -16.0387      1.00000
     26     -15.8236      1.00000
     27     -15.8004      1.00000
     28     -15.7652      1.00000
     29     -15.1743      1.00000
     30     -14.4915      1.00000
     31     -14.4590      1.00000
     32     -14.2184      1.00000
     33     -13.8957      1.00000
     34     -13.8906      1.00000
     35     -13.7564      1.00000
     36     -13.7362      1.00000
     37     -13.5522      1.00000
     38     -13.5036      1.00000
     39     -13.3009      1.00000
     40     -12.5651      1.00000
     41     -12.1254      1.00000
     42     -12.0665      1.00000
     43     -12.0107      1.00000
     44     -11.9522      1.00000
     45     -11.6111      1.00000
     46     -11.5885      1.00000
     47     -11.0849      1.00000
     48     -11.0523      1.00000
     49     -10.7526      1.00000
     50     -10.6643      1.00000
     51     -10.5254      1.00000
     52     -10.1490      1.00000
     53     -10.1391      1.00000
     54     -10.0971      1.00000
     55      -9.9534      1.00000
     56      -9.9482      1.00000
     57      -9.9181      1.00000
     58      -9.7380      1.00000
     59      -9.7318      1.00000
     60      -9.7010      1.00000
     61      -9.6909      1.00000
     62      -9.4282      1.00000
     63      -9.3637      1.00000
     64      -9.0850      1.00000
     65      -9.0070      1.00000
     66      -8.9752      1.00000
     67      -8.8885      1.00000
     68      -8.8122      1.00000
     69      -8.6582      1.00000
     70      -8.6354      1.00000
     71      -8.5769      1.00000
     72      -8.4786      1.00000
     73      -8.4679      1.00000
     74      -8.3985      1.00000
     75      -8.3948      1.00000
     76      -8.1847      1.00000
     77      -8.1135      1.00000
     78      -7.9782      1.00000
     79      -7.9145      1.00000
     80      -7.8472      1.00000
     81      -7.6171      1.00000
     82      -7.5308      1.00000
     83      -7.4693      1.00000
     84      -7.2582      1.00000
     85      -6.9343      1.00000
     86      -6.8582      1.00000
     87      -6.8114      1.00000
     88      -6.5733      1.00000
     89      -6.4672      1.00000
     90      -6.4205      1.00000
     91      -6.3573      1.00000
     92      -6.0516      1.00000
     93      -5.8776      1.00000
     94      -5.7534      1.00000
     95      -5.7222      1.00000
     96      -5.4764      1.00000
     97      -5.3460      1.00000
     98      -5.1806      1.00000
     99      -5.1567      1.00000
    100      -5.1551      1.00000
    101      -4.7067      1.00000
    102      -4.4397      1.00000
    103      -4.2530      1.00000
    104      -3.9938      1.00000
    105      -3.8240      1.00000
    106      -3.1566      1.00000
    107      -2.4634      0.00000
    108      -1.3793      0.00000
    109      -1.2412      0.00000
    110      -1.1465      0.00000
    111      -1.1149      0.00000
    112      -0.5647      0.00000
    113      -0.4348      0.00000
    114      -0.4301      0.00000
    115      -0.3103      0.00000
    116      -0.1906      0.00000
    117       0.0616      0.00000
    118       0.1163      0.00000
    119       0.5403      0.00000
    120       0.6838      0.00000
    121       0.8704      0.00000
    122       0.9665      0.00000
    123       1.1093      0.00000
    124       1.4942      0.00000
    125       1.6610      0.00000
    126       1.8041      0.00000
    127       1.8741      0.00000
    128       2.0935      0.00000
    129       2.1195      0.00000
    130       2.1886      0.00000
    131       2.2118      0.00000
    132       2.3401      0.00000
    133       2.3482      0.00000
    134       2.4845      0.00000
    135       2.5727      0.00000
    136       2.6689      0.00000
    137       2.8803      0.00000
    138       2.9374      0.00000
    139       2.9647      0.00000
    140       2.9885      0.00000
    141       3.0371      0.00000
    142       3.1505      0.00000
    143       3.1683      0.00000
    144       3.2399      0.00000
    145       3.2903      0.00000
    146       3.3328      0.00000
    147       3.3497      0.00000
    148       3.3798      0.00000
    149       3.4020      0.00000
    150       3.4953      0.00000
    151       3.5451      0.00000
    152       3.6235      0.00000
    153       3.6811      0.00000
    154       3.7070      0.00000
    155       3.7151      0.00000
    156       3.9196      0.00000
    157       3.9313      0.00000
    158       4.0549      0.00000
    159       4.0890      0.00000
    160       4.1994      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2488      1.00000
      2     -21.8961      1.00000
      3     -21.8225      1.00000
      4     -21.3171      1.00000
      5     -21.2784      1.00000
      6     -20.7724      1.00000
      7     -20.7034      1.00000
      8     -20.5554      1.00000
      9     -20.0236      1.00000
     10     -19.9914      1.00000
     11     -19.6511      1.00000
     12     -19.6201      1.00000
     13     -18.9440      1.00000
     14     -18.9095      1.00000
     15     -18.5849      1.00000
     16     -18.5473      1.00000
     17     -18.3928      1.00000
     18     -17.6024      1.00000
     19     -17.5711      1.00000
     20     -17.5419      1.00000
     21     -17.5090      1.00000
     22     -17.0750      1.00000
     23     -17.0281      1.00000
     24     -16.9007      1.00000
     25     -15.9459      1.00000
     26     -15.8519      1.00000
     27     -15.5339      1.00000
     28     -15.5074      1.00000
     29     -15.2097      1.00000
     30     -14.8144      1.00000
     31     -14.7620      1.00000
     32     -14.5100      1.00000
     33     -14.4682      1.00000
     34     -14.0968      1.00000
     35     -14.0936      1.00000
     36     -13.1048      1.00000
     37     -13.0305      1.00000
     38     -12.9571      1.00000
     39     -12.9499      1.00000
     40     -12.6560      1.00000
     41     -12.6278      1.00000
     42     -12.2748      1.00000
     43     -12.2477      1.00000
     44     -11.5731      1.00000
     45     -11.5538      1.00000
     46     -11.5012      1.00000
     47     -10.8780      1.00000
     48     -10.8689      1.00000
     49     -10.6802      1.00000
     50     -10.5254      1.00000
     51     -10.5206      1.00000
     52     -10.4340      1.00000
     53     -10.4168      1.00000
     54     -10.3707      1.00000
     55     -10.2885      1.00000
     56     -10.0609      1.00000
     57      -9.8328      1.00000
     58      -9.5588      1.00000
     59      -9.4848      1.00000
     60      -9.4438      1.00000
     61      -9.3560      1.00000
     62      -9.3396      1.00000
     63      -9.3082      1.00000
     64      -9.3033      1.00000
     65      -9.2068      1.00000
     66      -9.0996      1.00000
     67      -9.0686      1.00000
     68      -9.0493      1.00000
     69      -8.8495      1.00000
     70      -8.7971      1.00000
     71      -8.7782      1.00000
     72      -8.5274      1.00000
     73      -8.4964      1.00000
     74      -8.2250      1.00000
     75      -8.1295      1.00000
     76      -8.0932      1.00000
     77      -7.8068      1.00000
     78      -7.7677      1.00000
     79      -7.7406      1.00000
     80      -7.7024      1.00000
     81      -7.6357      1.00000
     82      -7.6248      1.00000
     83      -7.3885      1.00000
     84      -7.3447      1.00000
     85      -7.2205      1.00000
     86      -6.8435      1.00000
     87      -6.8210      1.00000
     88      -6.6392      1.00000
     89      -6.5299      1.00000
     90      -6.3416      1.00000
     91      -6.2735      1.00000
     92      -6.1955      1.00000
     93      -6.1320      1.00000
     94      -6.0208      1.00000
     95      -5.6353      1.00000
     96      -5.5089      1.00000
     97      -5.2979      1.00000
     98      -5.1564      1.00000
     99      -5.0402      1.00000
    100      -4.7250      1.00000
    101      -4.6857      1.00000
    102      -4.3674      1.00000
    103      -4.1831      1.00000
    104      -4.0068      1.00000
    105      -3.8235      1.00000
    106      -3.4845      1.00000
    107      -2.1647      0.00000
    108      -1.3838      0.00000
    109      -1.2355      0.00000
    110      -1.1850      0.00000
    111      -1.0146      0.00000
    112      -0.9561      0.00000
    113      -0.7976      0.00000
    114      -0.7524      0.00000
    115      -0.3678      0.00000
    116       0.2457      0.00000
    117       0.2766      0.00000
    118       0.3637      0.00000
    119       0.6992      0.00000
    120       0.8686      0.00000
    121       0.9658      0.00000
    122       1.1244      0.00000
    123       1.2348      0.00000
    124       1.4542      0.00000
    125       1.5566      0.00000
    126       1.7805      0.00000
    127       1.8492      0.00000
    128       1.8782      0.00000
    129       1.9857      0.00000
    130       2.0266      0.00000
    131       2.1874      0.00000
    132       2.2119      0.00000
    133       2.4028      0.00000
    134       2.4335      0.00000
    135       2.5415      0.00000
    136       2.6583      0.00000
    137       2.6845      0.00000
    138       2.7289      0.00000
    139       2.7660      0.00000
    140       2.8514      0.00000
    141       2.9662      0.00000
    142       3.0780      0.00000
    143       3.1791      0.00000
    144       3.2306      0.00000
    145       3.2510      0.00000
    146       3.2864      0.00000
    147       3.3263      0.00000
    148       3.4762      0.00000
    149       3.5104      0.00000
    150       3.7048      0.00000
    151       3.7214      0.00000
    152       3.7705      0.00000
    153       3.8588      0.00000
    154       3.8693      0.00000
    155       3.8967      0.00000
    156       3.9877      0.00000
    157       3.9976      0.00000
    158       4.0387      0.00000
    159       4.0558      0.00000
    160       4.0854      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3208      1.00000
      2     -21.7626      1.00000
      3     -21.5688      1.00000
      4     -21.5416      1.00000
      5     -21.2061      1.00000
      6     -21.1670      1.00000
      7     -20.9866      1.00000
      8     -20.0996      1.00000
      9     -20.0607      1.00000
     10     -19.5470      1.00000
     11     -19.5272      1.00000
     12     -19.3456      1.00000
     13     -19.0286      1.00000
     14     -18.9889      1.00000
     15     -18.9786      1.00000
     16     -18.9728      1.00000
     17     -18.2966      1.00000
     18     -18.2834      1.00000
     19     -17.9469      1.00000
     20     -17.0010      1.00000
     21     -16.9600      1.00000
     22     -16.8831      1.00000
     23     -16.8704      1.00000
     24     -16.4166      1.00000
     25     -16.3941      1.00000
     26     -15.5415      1.00000
     27     -15.5383      1.00000
     28     -15.1735      1.00000
     29     -15.1717      1.00000
     30     -15.1316      1.00000
     31     -15.0368      1.00000
     32     -15.0020      1.00000
     33     -14.6340      1.00000
     34     -14.6271      1.00000
     35     -13.6633      1.00000
     36     -13.6535      1.00000
     37     -13.1714      1.00000
     38     -12.5728      1.00000
     39     -12.5140      1.00000
     40     -12.3865      1.00000
     41     -12.3857      1.00000
     42     -12.0356      1.00000
     43     -12.0315      1.00000
     44     -11.6556      1.00000
     45     -11.6153      1.00000
     46     -11.2056      1.00000
     47     -11.1579      1.00000
     48     -10.9553      1.00000
     49     -10.9429      1.00000
     50     -10.8610      1.00000
     51     -10.8288      1.00000
     52     -10.6242      1.00000
     53     -10.1461      1.00000
     54     -10.0850      1.00000
     55     -10.0254      1.00000
     56      -9.9464      1.00000
     57      -9.6313      1.00000
     58      -9.6298      1.00000
     59      -9.6037      1.00000
     60      -9.5411      1.00000
     61      -9.5033      1.00000
     62      -9.4800      1.00000
     63      -9.2723      1.00000
     64      -9.2359      1.00000
     65      -9.2079      1.00000
     66      -9.1800      1.00000
     67      -9.0632      1.00000
     68      -9.0474      1.00000
     69      -9.0439      1.00000
     70      -8.8775      1.00000
     71      -8.8092      1.00000
     72      -8.5336      1.00000
     73      -8.5334      1.00000
     74      -8.4972      1.00000
     75      -8.0313      1.00000
     76      -7.8318      1.00000
     77      -7.7994      1.00000
     78      -7.7750      1.00000
     79      -7.7033      1.00000
     80      -7.6851      1.00000
     81      -7.4150      1.00000
     82      -7.2871      1.00000
     83      -7.2523      1.00000
     84      -7.2038      1.00000
     85      -7.0815      1.00000
     86      -7.0763      1.00000
     87      -6.9385      1.00000
     88      -6.7112      1.00000
     89      -6.6747      1.00000
     90      -6.6300      1.00000
     91      -6.5579      1.00000
     92      -6.0716      1.00000
     93      -6.0317      1.00000
     94      -6.0012      1.00000
     95      -5.9382      1.00000
     96      -5.7995      1.00000
     97      -5.1790      1.00000
     98      -4.8935      1.00000
     99      -4.7937      1.00000
    100      -4.6110      1.00000
    101      -4.5121      1.00000
    102      -4.1396      1.00000
    103      -4.0903      1.00000
    104      -3.9307      1.00000
    105      -3.9154      1.00000
    106      -3.8229      1.00000
    107      -1.7521      0.00000
    108      -1.6962      0.00000
    109      -1.4108      0.00000
    110      -1.3705      0.00000
    111      -1.2647      0.00000
    112      -1.2367      0.00000
    113      -0.6256      0.00000
    114      -0.5987      0.00000
    115      -0.1898      0.00000
    116       0.0408      0.00000
    117       0.5834      0.00000
    118       0.7413      0.00000
    119       0.8494      0.00000
    120       0.9283      0.00000
    121       1.1671      0.00000
    122       1.2109      0.00000
    123       1.2452      0.00000
    124       1.4191      0.00000
    125       1.5967      0.00000
    126       1.6358      0.00000
    127       1.7048      0.00000
    128       1.7967      0.00000
    129       1.9209      0.00000
    130       1.9401      0.00000
    131       2.1421      0.00000
    132       2.1732      0.00000
    133       2.2591      0.00000
    134       2.3000      0.00000
    135       2.5420      0.00000
    136       2.5601      0.00000
    137       2.6208      0.00000
    138       2.7592      0.00000
    139       2.7988      0.00000
    140       2.8307      0.00000
    141       2.8931      0.00000
    142       2.9348      0.00000
    143       3.0122      0.00000
    144       3.0287      0.00000
    145       3.0884      0.00000
    146       3.3024      0.00000
    147       3.3518      0.00000
    148       3.4062      0.00000
    149       3.4731      0.00000
    150       3.5944      0.00000
    151       3.6539      0.00000
    152       3.6540      0.00000
    153       3.6768      0.00000
    154       3.8875      0.00000
    155       3.9696      0.00000
    156       4.0162      0.00000
    157       4.0729      0.00000
    158       4.2306      0.00000
    159       4.2546      0.00000
    160       4.2607      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1420      1.00000
      2     -22.0492      1.00000
      3     -21.8871      1.00000
      4     -21.3365      1.00000
      5     -20.9777      1.00000
      6     -20.9483      1.00000
      7     -20.4289      1.00000
      8     -20.3970      1.00000
      9     -20.2168      1.00000
     10     -20.2152      1.00000
     11     -19.8887      1.00000
     12     -19.8250      1.00000
     13     -18.8185      1.00000
     14     -18.7479      1.00000
     15     -18.2664      1.00000
     16     -18.2526      1.00000
     17     -18.0809      1.00000
     18     -18.0746      1.00000
     19     -17.7465      1.00000
     20     -17.7309      1.00000
     21     -17.1954      1.00000
     22     -17.1724      1.00000
     23     -17.0891      1.00000
     24     -17.0688      1.00000
     25     -16.0549      1.00000
     26     -15.8093      1.00000
     27     -15.7997      1.00000
     28     -15.7785      1.00000
     29     -15.1595      1.00000
     30     -14.4863      1.00000
     31     -14.4650      1.00000
     32     -14.2045      1.00000
     33     -13.9168      1.00000
     34     -13.8872      1.00000
     35     -13.7597      1.00000
     36     -13.7394      1.00000
     37     -13.5366      1.00000
     38     -13.5111      1.00000
     39     -13.3024      1.00000
     40     -12.5776      1.00000
     41     -12.1015      1.00000
     42     -12.0776      1.00000
     43     -11.9992      1.00000
     44     -11.9519      1.00000
     45     -11.6058      1.00000
     46     -11.5985      1.00000
     47     -11.0842      1.00000
     48     -11.0618      1.00000
     49     -10.7321      1.00000
     50     -10.6655      1.00000
     51     -10.5574      1.00000
     52     -10.1403      1.00000
     53     -10.1358      1.00000
     54     -10.1017      1.00000
     55      -9.9664      1.00000
     56      -9.9259      1.00000
     57      -9.9227      1.00000
     58      -9.7508      1.00000
     59      -9.7297      1.00000
     60      -9.6980      1.00000
     61      -9.6953      1.00000
     62      -9.4003      1.00000
     63      -9.3897      1.00000
     64      -9.0682      1.00000
     65      -8.9830      1.00000
     66      -8.9818      1.00000
     67      -8.9058      1.00000
     68      -8.8130      1.00000
     69      -8.6495      1.00000
     70      -8.6343      1.00000
     71      -8.5463      1.00000
     72      -8.5022      1.00000
     73      -8.4831      1.00000
     74      -8.3949      1.00000
     75      -8.3829      1.00000
     76      -8.2102      1.00000
     77      -8.1016      1.00000
     78      -8.0076      1.00000
     79      -7.9015      1.00000
     80      -7.8433      1.00000
     81      -7.6221      1.00000
     82      -7.5335      1.00000
     83      -7.4574      1.00000
     84      -7.2546      1.00000
     85      -6.9431      1.00000
     86      -6.8689      1.00000
     87      -6.8106      1.00000
     88      -6.4787      1.00000
     89      -6.4683      1.00000
     90      -6.4101      1.00000
     91      -6.3605      1.00000
     92      -6.1872      1.00000
     93      -5.8587      1.00000
     94      -5.7381      1.00000
     95      -5.7119      1.00000
     96      -5.5227      1.00000
     97      -5.3294      1.00000
     98      -5.1726      1.00000
     99      -5.1681      1.00000
    100      -5.1347      1.00000
    101      -4.6959      1.00000
    102      -4.3482      1.00000
    103      -4.2769      1.00000
    104      -4.0266      1.00000
    105      -3.8250      1.00000
    106      -3.2336      1.00000
    107      -2.4056      0.00000
    108      -1.3458      0.00000
    109      -1.2440      0.00000
    110      -1.1535      0.00000
    111      -1.1087      0.00000
    112      -0.5838      0.00000
    113      -0.5211      0.00000
    114      -0.4339      0.00000
    115      -0.2749      0.00000
    116      -0.0721      0.00000
    117      -0.0116      0.00000
    118       0.0598      0.00000
    119       0.5839      0.00000
    120       0.7103      0.00000
    121       0.8091      0.00000
    122       0.9416      0.00000
    123       1.1814      0.00000
    124       1.5097      0.00000
    125       1.6181      0.00000
    126       1.8586      0.00000
    127       2.0048      0.00000
    128       2.0503      0.00000
    129       2.1128      0.00000
    130       2.1281      0.00000
    131       2.2515      0.00000
    132       2.2852      0.00000
    133       2.3448      0.00000
    134       2.4518      0.00000
    135       2.6069      0.00000
    136       2.7005      0.00000
    137       2.8201      0.00000
    138       2.9146      0.00000
    139       2.9421      0.00000
    140       3.0075      0.00000
    141       3.0447      0.00000
    142       3.1520      0.00000
    143       3.1576      0.00000
    144       3.2195      0.00000
    145       3.2995      0.00000
    146       3.3099      0.00000
    147       3.3531      0.00000
    148       3.3730      0.00000
    149       3.4167      0.00000
    150       3.4350      0.00000
    151       3.5532      0.00000
    152       3.6052      0.00000
    153       3.6882      0.00000
    154       3.7145      0.00000
    155       3.8476      0.00000
    156       3.8980      0.00000
    157       3.9320      0.00000
    158       3.9570      0.00000
    159       4.1484      0.00000
    160       4.1820      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2147      1.00000
      2     -22.0095      1.00000
      3     -21.6475      1.00000
      4     -21.6162      1.00000
      5     -20.9110      1.00000
      6     -20.8702      1.00000
      7     -20.5403      1.00000
      8     -20.5077      1.00000
      9     -20.5009      1.00000
     10     -19.9634      1.00000
     11     -19.4417      1.00000
     12     -19.4202      1.00000
     13     -19.2411      1.00000
     14     -19.2340      1.00000
     15     -18.3771      1.00000
     16     -18.3419      1.00000
     17     -17.8596      1.00000
     18     -17.8438      1.00000
     19     -17.6922      1.00000
     20     -17.6562      1.00000
     21     -17.3730      1.00000
     22     -17.3590      1.00000
     23     -17.2678      1.00000
     24     -16.4142      1.00000
     25     -16.3909      1.00000
     26     -15.9059      1.00000
     27     -15.3444      1.00000
     28     -15.3396      1.00000
     29     -15.0319      1.00000
     30     -15.0223      1.00000
     31     -14.7769      1.00000
     32     -14.7745      1.00000
     33     -14.2380      1.00000
     34     -14.1879      1.00000
     35     -13.3878      1.00000
     36     -13.3343      1.00000
     37     -13.1117      1.00000
     38     -13.1037      1.00000
     39     -12.9188      1.00000
     40     -12.9134      1.00000
     41     -12.5459      1.00000
     42     -12.5382      1.00000
     43     -12.1340      1.00000
     44     -11.5145      1.00000
     45     -11.4701      1.00000
     46     -11.2455      1.00000
     47     -11.2139      1.00000
     48     -11.0865      1.00000
     49     -10.7033      1.00000
     50     -10.5964      1.00000
     51     -10.5095      1.00000
     52     -10.2522      1.00000
     53     -10.2482      1.00000
     54     -10.1222      1.00000
     55     -10.0549      1.00000
     56     -10.0396      1.00000
     57      -9.7844      1.00000
     58      -9.6878      1.00000
     59      -9.6748      1.00000
     60      -9.6382      1.00000
     61      -9.6285      1.00000
     62      -9.5869      1.00000
     63      -9.2960      1.00000
     64      -9.2842      1.00000
     65      -9.2537      1.00000
     66      -9.0632      1.00000
     67      -8.8954      1.00000
     68      -8.8843      1.00000
     69      -8.7194      1.00000
     70      -8.5802      1.00000
     71      -8.5267      1.00000
     72      -8.3510      1.00000
     73      -8.3053      1.00000
     74      -8.2441      1.00000
     75      -8.2383      1.00000
     76      -8.1952      1.00000
     77      -8.1816      1.00000
     78      -8.1704      1.00000
     79      -8.1052      1.00000
     80      -7.6898      1.00000
     81      -7.4195      1.00000
     82      -7.3431      1.00000
     83      -7.2599      1.00000
     84      -7.1692      1.00000
     85      -7.1111      1.00000
     86      -7.0053      1.00000
     87      -6.9046      1.00000
     88      -6.8487      1.00000
     89      -6.5421      1.00000
     90      -6.4989      1.00000
     91      -6.2097      1.00000
     92      -6.2018      1.00000
     93      -5.8951      1.00000
     94      -5.6736      1.00000
     95      -5.6071      1.00000
     96      -5.5812      1.00000
     97      -5.2537      1.00000
     98      -5.2316      1.00000
     99      -5.1654      1.00000
    100      -5.1352      1.00000
    101      -4.5987      1.00000
    102      -4.2471      1.00000
    103      -4.0432      1.00000
    104      -3.8851      1.00000
    105      -3.8382      1.00000
    106      -3.8000      1.00000
    107      -1.8081      0.00000
    108      -1.7809      0.00000
    109      -1.2261      0.00000
    110      -1.1755      0.00000
    111      -0.9741      0.00000
    112      -0.7348      0.00000
    113      -0.6497      0.00000
    114      -0.5938      0.00000
    115      -0.5503      0.00000
    116      -0.1552      0.00000
    117       0.1769      0.00000
    118       0.2875      0.00000
    119       0.7051      0.00000
    120       0.9473      0.00000
    121       1.1696      0.00000
    122       1.2779      0.00000
    123       1.3431      0.00000
    124       1.5109      0.00000
    125       1.6081      0.00000
    126       1.6279      0.00000
    127       1.6918      0.00000
    128       1.7730      0.00000
    129       1.8594      0.00000
    130       2.0630      0.00000
    131       2.1580      0.00000
    132       2.3088      0.00000
    133       2.3940      0.00000
    134       2.4203      0.00000
    135       2.5535      0.00000
    136       2.6246      0.00000
    137       2.6863      0.00000
    138       2.7297      0.00000
    139       2.8007      0.00000
    140       2.9054      0.00000
    141       3.0476      0.00000
    142       3.0616      0.00000
    143       3.1813      0.00000
    144       3.2780      0.00000
    145       3.3798      0.00000
    146       3.4081      0.00000
    147       3.4564      0.00000
    148       3.5420      0.00000
    149       3.5706      0.00000
    150       3.6329      0.00000
    151       3.6616      0.00000
    152       3.7011      0.00000
    153       3.7756      0.00000
    154       3.7800      0.00000
    155       3.8227      0.00000
    156       3.8924      0.00000
    157       3.9014      0.00000
    158       3.9708      0.00000
    159       4.1879      0.00000
    160       4.2261      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0391   -7.2568    3.9828   -1.1313   -0.1852   17.3738    0.4901   -0.8147    0.7706   -0.4756
x    -3.1265   -0.0252   -0.0206   -0.0263    0.0914   -3.0540    0.0303   -0.0243    0.0083    0.0018
x    -0.0953   -0.0028    0.0035   -0.0031    0.0021   -0.0242    0.0000    0.0000   -0.0001    0.0001
x    -0.0035   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0391    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0034    0.0000    0.0004    0.0007    0.0028   -0.0984   -0.0315    0.0618    0.0185
y     0.0233   -3.2430   -0.1786    0.1701   -2.4162   -0.6650
z   204.0391    1.7406    0.2870    0.0898   -0.0014    0.0775   -0.0019    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1048    0.0015   -0.0009   -0.0001    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0013   -0.0001    0.0001    0.0000
z    -0.0001    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  -16.7029
z     0.1406    0.2291   -0.0319    0.0572   -0.0903    0.0006
 total charge-density along one line
x   212.0000  -10.0882    5.9298   -1.9403   -0.4208   19.2931   -0.6595    0.2078    0.0653   -0.1048
x    -2.7068   -0.0089    0.0019   -0.0455    0.0973   -2.3455    0.0477   -0.0343    0.0117    0.0024
x    -0.0854   -0.0055    0.0083   -0.0079    0.0053   -0.0374    0.0000   -0.0001    0.0004   -0.0004
x    -0.0054    0.0000   -0.0002    0.0001    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  -10.0882    5.9298   -1.9403   -0.4208   19.2931   -0.6595    0.2078    0.0653   -0.1048
y    -2.7068   -0.0089    0.0019   -0.0455    0.0973   -2.3455    0.0477   -0.0343    0.0117    0.0024
y    -0.0854   -0.0055    0.0083   -0.0079    0.0053   -0.0374    0.0000   -0.0001    0.0004   -0.0004
y    -0.0054    0.0000   -0.0002    0.0001    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 -205.2982  188.8516 -170.1509  154.0939 -140.4413  126.5480 -111.0602   94.7733  -79.0914
z    64.7133  -51.7741   40.5465  -31.5110   24.8039  -19.8837   15.8784  -12.2206    8.9080   -6.2215
z     4.2930   -2.9622    1.9637   -1.1547    0.5446   -0.1600   -0.0588    0.2214   -0.3855    0.5202
z    -0.5682    0.5231   -0.4392    0.3759   -0.3481    0.3299   -0.2953    0.2450   -0.1975    0.1643
z    -0.1416    0.1196   -0.0957    0.0747   -0.0610    0.0533   -0.0468    0.0390   -0.0313    0.0258
z    -0.0227    0.0203   -0.0173    0.0140   -0.0113    0.0093   -0.0076    0.0058   -0.0043    0.0032
z    -0.0022    0.0013   -0.0004   -0.0002    0.0004   -0.0004    0.0005   -0.0008    0.0009   -0.0007
z     0.0004   -0.0002    0.0001   -0.0001    0.0000    0.0002   -0.0003    0.0003   -0.0003    0.0003
z    -0.0003    0.0003   -0.0002    0.0002   -0.0002    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001
z     0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 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
-10.939   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.267   0.000  -0.102   0.000   0.000   0.239   0.000
  0.041   0.000 -11.242   0.000  -0.024  -0.006   0.000   0.237
  0.000  -0.102   0.000 -11.150   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.936   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.237   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.225   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.199   0.000   0.000   0.000
  0.036   0.000   0.100   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.026   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.939   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.267   0.000  -0.102   0.000   0.000   0.239   0.000
  0.041   0.000 -11.242   0.000  -0.024  -0.006   0.000   0.237
  0.000  -0.102   0.000 -11.150   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.936   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.237   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.225   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.199   0.000   0.000   0.000
  0.036   0.000   0.100   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.026   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.960   0.000  -0.027   0.000   0.002   0.022   0.000   0.058   0.000  -0.014  -0.026   0.025   0.000   0.000   0.000   0.000
  0.000   1.586   0.000  -0.148   0.000   0.000   0.594   0.000   0.260   0.000   0.000   0.000   0.161   0.000   0.106  -0.035
 -0.027   0.000   1.789   0.000   0.019   0.044   0.000   0.353   0.000  -0.027  -0.232  -0.042   0.000   0.096   0.000   0.000
  0.000  -0.148   0.000   1.756   0.000   0.000   0.260   0.000   0.293   0.000   0.000   0.000   0.108   0.000   0.039   0.005
  0.002   0.000   0.019   0.000   1.966  -0.014   0.000  -0.035   0.000   0.004   0.011  -0.015   0.000   0.003   0.000   0.000
  0.022   0.000   0.044   0.000  -0.014   0.063   0.000   0.101   0.000  -0.024   0.193  -0.053   0.000   0.115   0.000   0.000
  0.000   0.594   0.000   0.260   0.000   0.000   0.329   0.000   0.107   0.000   0.000   0.000   0.057   0.000   0.066  -0.011
  0.058   0.000   0.353   0.000  -0.035   0.101   0.000   0.558   0.000  -0.057   0.698  -0.290   0.000   0.087   0.000   0.000
  0.000   0.260   0.000   0.293   0.000   0.000   0.107   0.000   0.206   0.000   0.000   0.000   0.065   0.000  -0.019  -0.006
 -0.014   0.000  -0.027   0.000   0.004  -0.024   0.000  -0.057   0.000   0.036  -0.110   0.031   0.000  -0.068   0.000   0.000
 -0.026   0.000  -0.232   0.000   0.011   0.193   0.000   0.698   0.000  -0.110   1.351  -0.432   0.000   0.267   0.000   0.000
  0.025   0.000  -0.042   0.000  -0.015  -0.053   0.000  -0.290   0.000   0.031  -0.432   0.191   0.000  -0.034   0.000   0.000
  0.000   0.161   0.000   0.108   0.000   0.000   0.057   0.000   0.065   0.000   0.000   0.000   0.043   0.000   0.012  -0.004
  0.000   0.000   0.096   0.000   0.003   0.115   0.000   0.087   0.000  -0.068   0.267  -0.034   0.000   0.308   0.000   0.000
  0.000   0.106   0.000   0.039   0.000   0.000   0.066   0.000  -0.019   0.000   0.000   0.000   0.012   0.000   0.031  -0.002
  0.000  -0.035   0.000   0.005   0.000   0.000  -0.011   0.000  -0.006   0.000   0.000   0.000  -0.004   0.000  -0.002   0.001
  0.001   0.000  -0.037   0.000  -0.001  -0.005   0.000  -0.009   0.000   0.003  -0.007   0.000   0.000  -0.014   0.000   0.000
  0.000   0.005   0.000  -0.041   0.000   0.000  -0.006   0.000  -0.004   0.000   0.000   0.000  -0.002   0.000  -0.002   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        0.638   0.275   8.027   8.940
  2        0.514   0.028   0.000   0.542
  3        0.514   0.028   0.000   0.542
  4        0.864   1.783   0.000   2.647
  5        0.864   1.783   0.000   2.646
  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   1.783   0.000   2.647
 10        0.864   1.784   0.000   2.648
 11        0.863   1.783   0.000   2.646
 12        0.864   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.646
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.863   1.777   0.000   2.640
 17        0.856   1.773   0.000   2.629
 18        0.864   1.784   0.000   2.648
 19        0.864   1.782   0.000   2.646
 20        0.864   1.782   0.000   2.646
 21        0.863   1.781   0.000   2.644
 22        0.863   1.776   0.000   2.640
 23        0.863   1.783   0.000   2.646
 24        0.864   1.783   0.000   2.647
 25        0.864   1.783   0.000   2.646
 26        0.864   1.782   0.000   2.646
 27        0.864   1.784   0.000   2.647
 28        0.864   1.783   0.000   2.647
 29        0.864   1.783   0.000   2.647
 30        0.864   1.783   0.000   2.647
 31        0.864   1.784   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   1.782   0.000   2.646
 35        0.863   1.783   0.000   2.646
 36        0.863   1.776   0.000   2.640
 37        0.863   1.781   0.000   2.644
 38        0.864   1.782   0.000   2.646
 39        0.864   1.784   0.000   2.648
 40        0.864   1.784   0.000   2.648
 41        0.856   1.773   0.000   2.629
 42        0.863   1.777   0.000   2.640
 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   2.646
 46        0.864   1.785   0.000   2.648
 47        0.863   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   1.783   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   1.783   0.000   2.646
------------------------------------------------
tot       44.833  89.438   8.027 142.297
 


 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  114.58: CPU time   57.68
    FORLOC:  VPU time    1.26: CPU time    1.26
    FORNL :  VPU time  444.53: CPU time  222.69
    STRESS:  VPU time 1357.46: CPU time  682.22
    FORCOR:  VPU time    8.76: CPU time    8.76
    FORHAR:  VPU time    2.31: CPU time    2.31
    MIXING:  VPU time    0.18: CPU time    0.18
 d Force =-0.2175104E-06[-0.152E-05, 0.109E-05]  d Energy = 0.1569020E-05-0.179E-05
 d Force = 0.3485293E+00[ 0.349E+00, 0.349E+00]  d Ewald  = 0.6039035E+00-0.255E+00


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.644892 eV

  energy  without entropy=     -471.644892  energy(sigma->0) =     -471.644892
 

  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    40732.69  40749.42 -47434.70     14.49      0.00      0.00
  Hartree  40198.14  40201.91 -39452.64      3.26      0.00      0.00
  E(xc)     -779.75   -779.56   -807.28      0.17      0.00      0.00
  Local   -83223.97 -83238.32  84204.64    -12.42      0.00      0.00
  n-local   -215.84   -215.74   -203.88     -0.17      0.00      0.00
  augment     22.09     20.52     17.36     -1.36      0.00      0.00
  Kinetic   3168.83   3171.47   3582.25     -6.18      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.11     -0.14     -0.30     -0.02      0.00      0.00
  in kB       -0.07     -0.08     -0.18     -0.01      0.00      0.00
  external pressure =       -0.11 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
    12.347077374  0.001773853  0.000000000     0.080984111  0.046740754  0.000000000
    -6.172009128 10.693765647  0.000000000    -0.000013433  0.093504676  0.000000000
     0.000000000  0.000000000 19.978097394     0.000000000  0.000000000  0.050054817

  length of vectors
    12.347077501 12.347077402 19.978097394     0.093504676  0.093504677  0.050054817


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.394E-05 -.457E-04 -.960E+03   0.431E-05 -.274E-04 0.968E+03   -.176E-20 -.401E-22 -.793E+01   -.901E-08 0.462E-08 -.644E-03
   -.176E+02 -.304E+02 -.136E+03   0.184E+02 0.318E+02 0.138E+03   -.829E+00 -.144E+01 -.258E+01   -.469E-04 -.823E-04 -.500E-03
   0.176E+02 0.304E+02 -.136E+03   -.184E+02 -.318E+02 0.138E+03   0.829E+00 0.144E+01 -.258E+01   0.469E-04 0.824E-04 -.500E-03
   -.196E+01 0.113E+01 0.170E+02   0.197E+01 -.114E+01 -.170E+02   -.898E-02 0.519E-02 -.890E-02   -.177E-04 0.727E-05 0.168E-02
   0.579E+01 0.690E+01 0.198E+02   -.579E+01 -.693E+01 -.198E+02   0.598E-02 0.326E-01 -.192E-01   0.433E-04 -.264E-03 0.145E-02
   0.113E+02 0.502E+01 0.184E+02   -.113E+02 -.503E+01 -.183E+02   0.241E-01 0.993E-02 -.538E-01   -.347E-03 0.814E-03 0.290E-03
   0.454E+01 -.103E+01 0.164E+02   -.456E+01 0.105E+01 -.164E+02   0.208E-01 -.154E-01 -.118E-02   -.123E-04 0.478E-03 -.140E-03
   -.292E+01 -.239E+01 0.150E+02   0.293E+01 0.241E+01 -.150E+02   -.150E-01 -.137E-01 -.114E-02   0.211E-03 0.531E-04 0.806E-03
   0.613E+00 0.372E+01 0.150E+02   -.619E+00 -.374E+01 -.150E+02   0.436E-02 0.198E-01 -.114E-02   0.542E-04 -.215E-03 0.802E-03
   0.274E+01 0.182E+02 0.247E+02   -.275E+01 -.183E+02 -.247E+02   0.831E-02 0.112E+00 -.463E-02   -.240E-03 0.776E-03 0.348E-03
   0.215E+02 0.226E+02 0.396E+02   -.216E+02 -.228E+02 -.396E+02   0.116E+00 0.228E+00 -.200E-01   -.951E-03 -.280E-03 -.693E-03
   0.265E+02 -.448E+01 0.268E+02   -.267E+02 0.460E+01 -.268E+02   0.235E+00 -.119E+00 -.594E-01   -.497E-03 -.388E-04 -.771E-03
   0.914E+01 -.528E+01 0.155E+02   -.916E+01 0.529E+01 -.155E+02   0.192E-01 -.111E-01 0.729E-03   0.719E-03 -.422E-03 0.266E-03
   0.316E+01 -.342E+01 0.164E+02   -.319E+01 0.342E+01 -.164E+02   0.237E-01 -.103E-01 -.118E-02   -.423E-03 -.233E-03 -.148E-03
   -.602E+01 0.132E+02 0.199E+02   0.603E+01 -.132E+02 -.199E+02   -.714E-02 0.739E-01 -.123E-01   -.435E-03 -.216E-03 -.433E-03
   -.123E+02 0.335E+02 0.459E+02   0.123E+02 -.341E+02 -.462E+02   -.922E-01 0.681E+00 0.343E+00   -.328E-04 -.354E-03 -.706E-03
   0.263E+02 -.152E+02 0.698E+02   -.273E+02 0.158E+02 -.719E+02   0.965E+00 -.557E+00 0.210E+01   -.927E-03 0.532E-03 -.528E-03
   0.171E+02 -.207E+02 0.268E+02   -.174E+02 0.209E+02 -.268E+02   0.221E+00 -.144E+00 -.594E-01   -.217E-03 0.442E-03 -.776E-03
   0.128E+01 -.123E+02 0.184E+02   -.128E+01 0.123E+02 -.183E+02   0.346E-02 -.259E-01 -.538E-01   -.876E-03 -.108E-03 0.284E-03
   -.386E+01 0.157E+01 0.144E+02   0.386E+01 -.158E+01 -.144E+02   -.569E-02 0.448E-03 -.416E-01   -.309E-03 -.441E-03 0.370E-03
   -.182E+02 0.105E+02 0.212E+02   0.183E+02 -.105E+02 -.210E+02   -.624E-01 0.360E-01 -.119E+00   0.862E-03 -.494E-03 -.496E-03
   -.351E+02 -.612E+01 0.459E+02   0.357E+02 0.638E+01 -.462E+02   -.636E+00 -.261E+00 0.343E+00   0.293E-03 0.205E-03 -.703E-03
   -.885E+01 -.299E+02 0.396E+02   0.898E+01 0.301E+02 -.396E+02   -.140E+00 -.214E+00 -.200E-01   -.230E-03 0.959E-03 -.695E-03
   -.308E+01 -.846E+01 0.198E+02   0.311E+01 0.848E+01 -.198E+02   -.252E-01 -.215E-01 -.192E-01   0.252E-03 0.926E-04 0.145E-02
   0.126E+01 -.730E+00 0.147E+02   -.126E+01 0.729E+00 -.147E+02   -.115E-02 0.665E-03 -.325E-01   -.104E-03 0.618E-04 0.127E-02
   -.329E+01 0.255E+01 0.144E+02   0.330E+01 -.256E+01 -.144E+02   -.324E-02 0.471E-02 -.416E-01   0.229E-03 0.492E-03 0.375E-03
   -.144E+02 -.137E+01 0.199E+02   0.145E+02 0.140E+01 -.199E+02   -.676E-01 -.308E-01 -.123E-01   -.284E-04 0.483E-03 -.425E-03
   -.144E+02 -.115E+02 0.247E+02   0.144E+02 0.115E+02 -.247E+02   -.926E-01 -.631E-01 -.463E-02   -.790E-03 -.185E-03 0.351E-03
   0.308E+01 0.846E+01 0.198E+02   -.311E+01 -.848E+01 -.198E+02   0.252E-01 0.215E-01 -.192E-01   -.252E-03 -.926E-04 0.145E-02
   0.144E+02 0.115E+02 0.247E+02   -.144E+02 -.115E+02 -.247E+02   0.926E-01 0.631E-01 -.463E-02   0.790E-03 0.185E-03 0.351E-03
   0.144E+02 0.137E+01 0.199E+02   -.145E+02 -.140E+01 -.199E+02   0.676E-01 0.308E-01 -.123E-01   0.284E-04 -.483E-03 -.425E-03
   0.329E+01 -.255E+01 0.144E+02   -.330E+01 0.256E+01 -.144E+02   0.324E-02 -.471E-02 -.416E-01   -.229E-03 -.492E-03 0.375E-03
   -.126E+01 0.730E+00 0.147E+02   0.126E+01 -.729E+00 -.147E+02   0.115E-02 -.665E-03 -.325E-01   0.104E-03 -.618E-04 0.127E-02
   -.128E+01 0.123E+02 0.184E+02   0.128E+01 -.123E+02 -.183E+02   -.346E-02 0.259E-01 -.538E-01   0.876E-03 0.108E-03 0.284E-03
   0.884E+01 0.299E+02 0.396E+02   -.898E+01 -.301E+02 -.396E+02   0.140E+00 0.214E+00 -.200E-01   0.230E-03 -.959E-03 -.695E-03
   0.351E+02 0.612E+01 0.459E+02   -.357E+02 -.638E+01 -.462E+02   0.636E+00 0.261E+00 0.343E+00   -.293E-03 -.205E-03 -.703E-03
   0.182E+02 -.105E+02 0.212E+02   -.183E+02 0.105E+02 -.210E+02   0.624E-01 -.360E-01 -.119E+00   -.862E-03 0.494E-03 -.496E-03
   0.386E+01 -.157E+01 0.144E+02   -.386E+01 0.158E+01 -.144E+02   0.569E-02 -.448E-03 -.416E-01   0.309E-03 0.441E-03 0.370E-03
   -.316E+01 0.342E+01 0.164E+02   0.319E+01 -.342E+01 -.164E+02   -.237E-01 0.103E-01 -.118E-02   0.423E-03 0.233E-03 -.148E-03
   -.171E+02 0.207E+02 0.268E+02   0.174E+02 -.209E+02 -.268E+02   -.221E+00 0.144E+00 -.594E-01   0.217E-03 -.442E-03 -.776E-03
   -.263E+02 0.152E+02 0.698E+02   0.273E+02 -.158E+02 -.719E+02   -.965E+00 0.557E+00 0.210E+01   0.927E-03 -.532E-03 -.528E-03
   0.123E+02 -.335E+02 0.459E+02   -.123E+02 0.341E+02 -.462E+02   0.922E-01 -.681E+00 0.343E+00   0.328E-04 0.354E-03 -.706E-03
   0.602E+01 -.132E+02 0.199E+02   -.603E+01 0.132E+02 -.199E+02   0.714E-02 -.739E-01 -.123E-01   0.435E-03 0.216E-03 -.433E-03
   -.614E+00 -.372E+01 0.150E+02   0.619E+00 0.374E+01 -.150E+02   -.436E-02 -.198E-01 -.114E-02   -.542E-04 0.215E-03 0.802E-03
   -.914E+01 0.528E+01 0.155E+02   0.916E+01 -.529E+01 -.155E+02   -.192E-01 0.111E-01 0.729E-03   -.719E-03 0.422E-03 0.266E-03
   -.265E+02 0.448E+01 0.268E+02   0.267E+02 -.460E+01 -.268E+02   -.235E+00 0.119E+00 -.594E-01   0.497E-03 0.388E-04 -.771E-03
   -.215E+02 -.226E+02 0.396E+02   0.216E+02 0.228E+02 -.396E+02   -.116E+00 -.228E+00 -.200E-01   0.951E-03 0.280E-03 -.693E-03
   -.274E+01 -.182E+02 0.247E+02   0.275E+01 0.183E+02 -.247E+02   -.831E-02 -.112E+00 -.463E-02   0.240E-03 -.776E-03 0.348E-03
   0.196E+01 -.113E+01 0.170E+02   -.197E+01 0.114E+01 -.170E+02   0.898E-02 -.519E-02 -.890E-02   0.177E-04 -.727E-05 0.168E-02
   0.292E+01 0.239E+01 0.150E+02   -.293E+01 -.241E+01 -.150E+02   0.150E-01 0.137E-01 -.114E-02   -.211E-03 -.531E-04 0.806E-03
   -.454E+01 0.103E+01 0.164E+02   0.456E+01 -.105E+01 -.164E+02   -.208E-01 0.154E-01 -.118E-02   0.123E-04 -.478E-03 -.140E-03
   -.113E+02 -.502E+01 0.184E+02   0.113E+02 0.503E+01 -.183E+02   -.241E-01 -.993E-02 -.538E-01   0.347E-03 -.814E-03 0.290E-03
   -.579E+01 -.690E+01 0.198E+02   0.579E+01 0.693E+01 -.198E+02   -.598E-02 -.326E-01 -.192E-01   -.433E-04 0.264E-03 0.145E-02
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.306E-03 0.865E+01   0.182E-12 -.817E-13 0.206E-12   0.182E-15 -.319E-15 -.868E+01   -.207E-07 0.161E-07 0.482E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85293      6.06057     12.33734         0.000000      0.000000      0.005430
      2.26146      6.76817     13.65558         0.000489      0.000846     -0.001457
      1.44439      5.35297     13.65558        -0.000489     -0.000846     -0.001457
      0.00057     -0.00033      9.95752        -0.000032      0.000018     -0.005222
     11.11187      2.13939      9.95925        -0.000242     -0.001670     -0.002337
      9.87642      4.27877      9.97150        -0.002163      0.004076      0.000403
      8.64317      6.41801      9.97075         0.001583      0.004663      0.001170
     -4.93594      8.55507      9.96602         0.000596      0.001337     -0.001585
      2.47020     -0.00111      9.96602        -0.000860     -0.001185     -0.001585
      1.23474      2.13594      9.97107        -0.002223      0.004539      0.002729
     -0.00389      4.27469     10.00035        -0.004117     -0.000904     -0.001899
     -1.23828      6.41572     10.00607        -0.001746      0.000304     -0.000450
     -2.46694      8.55465      9.97874         0.004958     -0.002862     -0.001019
      4.93850      0.00133      9.97075        -0.003247     -0.003702      0.001170
      3.70480      2.13647      9.97900        -0.004023     -0.001124     -0.000762
      2.47067      4.26301     10.04361        -0.001416      0.001823     -0.001389
      1.22853      6.42107     10.11392        -0.002540      0.001467      0.014475
     -0.00024      8.56006     10.00607        -0.001137      0.001360     -0.000450
      7.40776      0.00293      9.97150        -0.004612     -0.000165      0.000403
      6.17320      2.14014      9.97163        -0.000077     -0.005169     -0.001234
      4.94014      4.27817      9.99975         0.003440     -0.001986      0.004671
      3.71853      6.42437     10.04361        -0.002287      0.000315     -0.001389
      2.47114      8.56156     10.00035        -0.001276      0.004017     -0.001899
      9.87825      0.00269      9.95925         0.001325      0.001045     -0.002337
      8.64241      2.14066      9.96234         0.000356     -0.000206     -0.003455
      7.40826      4.27932      9.97163         0.004438      0.002652     -0.001234
      6.17724      6.41885      9.97900        -0.001039      0.004046     -0.000762
      4.94266      8.55825      9.97107        -0.005042     -0.000344      0.002729
     -0.00038      1.42469      9.95925        -0.001325     -0.001045     -0.002337
     -1.23680      3.56289      9.97107         0.005042      0.000344      0.002729
     -2.47138      5.70229      9.97900         0.001039     -0.004046     -0.000762
     -3.70240      7.84182      9.97163        -0.004438     -0.002652     -0.001234
     -4.93655      9.98048      9.96234        -0.000356      0.000206     -0.003455
      2.47011      1.42445      9.97150         0.004612      0.000165      0.000403
      1.23472      3.55958     10.00035         0.001276     -0.004017     -0.001899
     -0.01268      5.69677     10.04361         0.002287     -0.000315     -0.001389
     -1.23428      7.84297      9.99975        -0.003440      0.001986      0.004671
     -2.46735      9.98100      9.97163         0.000077      0.005169     -0.001234
      4.93936      1.42604      9.97075         0.003247      0.003702      0.001170
      3.70610      3.56108     10.00607         0.001137     -0.001360     -0.000450
      2.47733      5.70007     10.11392         0.002540     -0.001467      0.014475
      1.23519      7.85813     10.04361         0.001416     -0.001823     -0.001389
      0.00105      9.98467      9.97900         0.004023      0.001124     -0.000762
      7.40767      1.42849      9.96602         0.000860      0.001185     -0.001585
      6.17280      3.56649      9.97874        -0.004958      0.002862     -0.001019
      4.94413      5.70542     10.00607         0.001746     -0.000304     -0.000450
      3.70975      7.84645     10.00035         0.004117      0.000904     -0.001899
      2.47112      9.98520      9.97107         0.002223     -0.004539      0.002729
      9.87730      1.42770      9.95752         0.000032     -0.000018     -0.005222
      8.64180      3.56607      9.96602        -0.000596     -0.001337     -0.001585
      7.40977      5.70491      9.97075        -0.001583     -0.004663      0.001170
      6.17652      7.84414      9.97150         0.002163     -0.004076      0.000403
      4.94106      9.98353      9.95925         0.000242      0.001670     -0.002337
 -----------------------------------------------------------------------------------
    total drift:                               -0.001813      0.000306     -0.018060


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




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


    WAVPRE:  VPU time    1.97: CPU time    1.97
    FEWALD:  VPU time    0.02: CPU time    0.01
    GENKIN:  VPU time    1.36: CPU time    1.36
    ORTHCH:  VPU time  188.69: CPU time   94.47
     LOOP+:  VPU time 5288.72: CPU time 2711.88


----------------------------------------- Iteration   25(   1)  ---------------------------------------


    POTLOK:  VPU time    9.37: CPU time    9.20
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1824.64: CPU time  939.55
 BZINTS: Fermi energy: -3.080452;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  114.25: CPU time   57.60
    MIXING:  VPU time    0.16: CPU time    0.16
    ------------------------------------------
      LOOP:  VPU time 1948.84: CPU time 1006.89

 eigenvalue-minimisations  :  5920
 total energy-change (2. order) :-0.4716449E+03  (-0.2995206E-03)
 number of electron  212.0000030 magnetization    0.0000000
 augmentation part     7.9604756 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.11705E-02    rms(broyden)= 0.11701E-02
  rms(prec ) = 0.12862E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34043.59913524
  -1/2 Hartree   DENC   =    -40943.93332160
  -V(xc)+E(xc)   XCENC  =       726.61522579
  PAW double counting   =      4092.98618840    -4131.36075531
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2464.99124052
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64491439 eV

  energy without entropy =     -471.64491439  energy(sigma->0) =     -471.64491439


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




----------------------------------------- Iteration   25(   2)  ---------------------------------------


    POTLOK:  VPU time    9.12: CPU time    9.12
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1390.94: CPU time  716.55
 BZINTS: Fermi energy: -3.080707;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1400.46: CPU time  726.04

 eigenvalue-minimisations  :  4048
 total energy-change (2. order) : 0.8828993E-06  (-0.4667379E-05)
 number of electron  212.0000030 magnetization    0.0000000
 augmentation part     7.9604756 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34043.59913524
  -1/2 Hartree   DENC   =    -40943.82527286
  -V(xc)+E(xc)   XCENC  =       726.61212215
  PAW double counting   =      4092.89472581    -4131.26880496
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.09667249
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64491351 eV

  energy without entropy =     -471.64491351  energy(sigma->0) =     -471.64491351


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




 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 -58.5341       2 -39.9770       3 -39.9770       4 -58.2437       5 -58.2482
       6 -58.2554       7 -58.2461       8 -58.2444       9 -58.2444      10 -58.2602
      11 -58.3153      12 -58.2919      13 -58.2492      14 -58.2461      15 -58.2572
      16 -58.4371      17 -58.7306      18 -58.2919      19 -58.2554      20 -58.2498
      21 -58.2769      22 -58.4371      23 -58.3153      24 -58.2482      25 -58.2431
      26 -58.2498      27 -58.2573      28 -58.2603      29 -58.2481      30 -58.2601
      31 -58.2571      32 -58.2497      33 -58.2430      34 -58.2553      35 -58.3152
      36 -58.4370      37 -58.2769      38 -58.2497      39 -58.2460      40 -58.2918
      41 -58.7305      42 -58.4370      43 -58.2571      44 -58.2443      45 -58.2490
      46 -58.2918      47 -58.3152      48 -58.2602      49 -58.2436      50 -58.2443
      51 -58.2460      52 -58.2554      53 -58.2481
 
 
 
 E-fermi :  -3.0807     XC(G=0):  -2.3513     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     -22.3561      1.00000
      2     -21.5362      1.00000
      3     -21.4067      1.00000
      4     -21.4058      1.00000
      5     -21.3746      1.00000
      6     -21.3654      1.00000
      7     -21.3582      1.00000
      8     -19.6455      1.00000
      9     -19.5718      1.00000
     10     -19.5649      1.00000
     11     -19.5581      1.00000
     12     -19.5400      1.00000
     13     -19.5372      1.00000
     14     -18.7274      1.00000
     15     -18.6792      1.00000
     16     -18.6718      1.00000
     17     -18.6583      1.00000
     18     -18.6428      1.00000
     19     -18.6412      1.00000
     20     -16.5850      1.00000
     21     -16.5260      1.00000
     22     -16.5235      1.00000
     23     -16.5107      1.00000
     24     -16.4864      1.00000
     25     -16.4846      1.00000
     26     -15.5578      1.00000
     27     -15.5258      1.00000
     28     -15.5251      1.00000
     29     -15.4994      1.00000
     30     -15.4945      1.00000
     31     -15.4885      1.00000
     32     -14.2054      1.00000
     33     -14.1797      1.00000
     34     -14.1670      1.00000
     35     -14.1645      1.00000
     36     -14.1593      1.00000
     37     -14.1483      1.00000
     38     -11.8818      1.00000
     39     -11.8072      1.00000
     40     -11.7917      1.00000
     41     -11.7913      1.00000
     42     -11.7881      1.00000
     43     -11.7823      1.00000
     44     -11.7042      1.00000
     45     -11.6974      1.00000
     46     -11.6723      1.00000
     47     -11.6574      1.00000
     48     -11.6572      1.00000
     49     -11.6500      1.00000
     50     -10.6713      1.00000
     51     -10.3284      1.00000
     52     -10.3203      1.00000
     53     -10.3051      1.00000
     54     -10.3036      1.00000
     55     -10.2904      1.00000
     56     -10.2775      1.00000
     57      -9.9247      1.00000
     58      -9.3724      1.00000
     59      -9.3591      1.00000
     60      -9.3001      1.00000
     61      -9.2918      1.00000
     62      -9.2851      1.00000
     63      -9.0912      1.00000
     64      -9.0536      1.00000
     65      -9.0488      1.00000
     66      -9.0260      1.00000
     67      -9.0060      1.00000
     68      -9.0013      1.00000
     69      -9.0000      1.00000
     70      -8.9947      1.00000
     71      -8.9911      1.00000
     72      -8.9718      1.00000
     73      -8.9644      1.00000
     74      -8.9534      1.00000
     75      -8.4909      1.00000
     76      -7.5149      1.00000
     77      -7.4092      1.00000
     78      -7.4091      1.00000
     79      -7.3982      1.00000
     80      -7.3833      1.00000
     81      -7.3632      1.00000
     82      -7.3409      1.00000
     83      -7.3103      1.00000
     84      -7.2678      1.00000
     85      -7.2064      1.00000
     86      -7.1800      1.00000
     87      -7.1797      1.00000
     88      -7.0769      1.00000
     89      -6.5070      1.00000
     90      -6.4607      1.00000
     91      -6.3550      1.00000
     92      -6.2937      1.00000
     93      -6.2876      1.00000
     94      -6.2863      1.00000
     95      -5.8964      1.00000
     96      -5.8841      1.00000
     97      -5.0418      1.00000
     98      -4.9359      1.00000
     99      -4.5374      1.00000
    100      -4.3406      1.00000
    101      -4.3177      1.00000
    102      -4.3168      1.00000
    103      -4.1152      1.00000
    104      -3.9110      1.00000
    105      -3.9006      1.00000
    106      -3.8282      1.00000
    107      -1.6815      0.00000
    108      -1.6668      0.00000
    109      -1.5366      0.00000
    110      -1.5352      0.00000
    111      -1.5227      0.00000
    112      -1.5089      0.00000
    113      -0.5877      0.00000
    114       0.1342      0.00000
    115       0.2076      0.00000
    116       0.3250      0.00000
    117       0.3268      0.00000
    118       0.3341      0.00000
    119       0.4948      0.00000
    120       0.5973      0.00000
    121       1.2587      0.00000
    122       1.2725      0.00000
    123       1.5261      0.00000
    124       1.7724      0.00000
    125       1.8056      0.00000
    126       1.8089      0.00000
    127       1.8138      0.00000
    128       1.9465      0.00000
    129       1.9815      0.00000
    130       2.0323      0.00000
    131       2.0459      0.00000
    132       2.0510      0.00000
    133       2.0559      0.00000
    134       2.0600      0.00000
    135       2.3093      0.00000
    136       2.3157      0.00000
    137       2.6177      0.00000
    138       2.6252      0.00000
    139       2.6544      0.00000
    140       2.7164      0.00000
    141       2.8646      0.00000
    142       3.0059      0.00000
    143       3.0305      0.00000
    144       3.0593      0.00000
    145       3.0630      0.00000
    146       3.0635      0.00000
    147       3.0883      0.00000
    148       3.2310      0.00000
    149       3.4306      0.00000
    150       3.5382      0.00000
    151       3.7781      0.00000
    152       3.9395      0.00000
    153       3.9413      0.00000
    154       3.9459      0.00000
    155       3.9520      0.00000
    156       3.9977      0.00000
    157       4.1739      0.00000
    158       4.2582      0.00000
    159       4.2854      0.00000
    160       4.2864      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3195      1.00000
      2     -21.7609      1.00000
      3     -21.5702      1.00000
      4     -21.5375      1.00000
      5     -21.2074      1.00000
      6     -21.1625      1.00000
      7     -20.9868      1.00000
      8     -20.1013      1.00000
      9     -20.0572      1.00000
     10     -19.5458      1.00000
     11     -19.5212      1.00000
     12     -19.3487      1.00000
     13     -19.0242      1.00000
     14     -18.9891      1.00000
     15     -18.9811      1.00000
     16     -18.9688      1.00000
     17     -18.2969      1.00000
     18     -18.2776      1.00000
     19     -17.9516      1.00000
     20     -17.0090      1.00000
     21     -16.9592      1.00000
     22     -16.8782      1.00000
     23     -16.8682      1.00000
     24     -16.4042      1.00000
     25     -16.3895      1.00000
     26     -15.5513      1.00000
     27     -15.5354      1.00000
     28     -15.1970      1.00000
     29     -15.1687      1.00000
     30     -15.1142      1.00000
     31     -15.0271      1.00000
     32     -15.0025      1.00000
     33     -14.6356      1.00000
     34     -14.6239      1.00000
     35     -13.6666      1.00000
     36     -13.6515      1.00000
     37     -13.1690      1.00000
     38     -12.5501      1.00000
     39     -12.5172      1.00000
     40     -12.3905      1.00000
     41     -12.3775      1.00000
     42     -12.0564      1.00000
     43     -12.0338      1.00000
     44     -11.6584      1.00000
     45     -11.6165      1.00000
     46     -11.1796      1.00000
     47     -11.1560      1.00000
     48     -10.9639      1.00000
     49     -10.9402      1.00000
     50     -10.8727      1.00000
     51     -10.8366      1.00000
     52     -10.6013      1.00000
     53     -10.0924      1.00000
     54     -10.0880      1.00000
     55     -10.0450      1.00000
     56      -9.9696      1.00000
     57      -9.6535      1.00000
     58      -9.6286      1.00000
     59      -9.5917      1.00000
     60      -9.5289      1.00000
     61      -9.5102      1.00000
     62      -9.4788      1.00000
     63      -9.2632      1.00000
     64      -9.2406      1.00000
     65      -9.2204      1.00000
     66      -9.1657      1.00000
     67      -9.0682      1.00000
     68      -9.0464      1.00000
     69      -9.0403      1.00000
     70      -8.8823      1.00000
     71      -8.8055      1.00000
     72      -8.5750      1.00000
     73      -8.5215      1.00000
     74      -8.4561      1.00000
     75      -8.0344      1.00000
     76      -7.8102      1.00000
     77      -7.8065      1.00000
     78      -7.7918      1.00000
     79      -7.6997      1.00000
     80      -7.6901      1.00000
     81      -7.3651      1.00000
     82      -7.2728      1.00000
     83      -7.2637      1.00000
     84      -7.2160      1.00000
     85      -7.1727      1.00000
     86      -7.0088      1.00000
     87      -6.9466      1.00000
     88      -6.7456      1.00000
     89      -6.6719      1.00000
     90      -6.5943      1.00000
     91      -6.5592      1.00000
     92      -6.0496      1.00000
     93      -6.0461      1.00000
     94      -6.0211      1.00000
     95      -5.9585      1.00000
     96      -5.7363      1.00000
     97      -5.1518      1.00000
     98      -4.9884      1.00000
     99      -4.7180      1.00000
    100      -4.6106      1.00000
    101      -4.4385      1.00000
    102      -4.3728      1.00000
    103      -4.1209      1.00000
    104      -3.8670      1.00000
    105      -3.8287      1.00000
    106      -3.7899      1.00000
    107      -1.7845      0.00000
    108      -1.7385      0.00000
    109      -1.3946      0.00000
    110      -1.3458      0.00000
    111      -1.2643      0.00000
    112      -1.2257      0.00000
    113      -0.7458      0.00000
    114      -0.3798      0.00000
    115      -0.2199      0.00000
    116      -0.0196      0.00000
    117       0.5906      0.00000
    118       0.7378      0.00000
    119       0.7653      0.00000
    120       1.0505      0.00000
    121       1.1420      0.00000
    122       1.2506      0.00000
    123       1.2708      0.00000
    124       1.4142      0.00000
    125       1.4808      0.00000
    126       1.5855      0.00000
    127       1.7473      0.00000
    128       1.8375      0.00000
    129       1.8935      0.00000
    130       1.9591      0.00000
    131       2.0983      0.00000
    132       2.2385      0.00000
    133       2.2489      0.00000
    134       2.2979      0.00000
    135       2.4894      0.00000
    136       2.6004      0.00000
    137       2.6285      0.00000
    138       2.7693      0.00000
    139       2.7849      0.00000
    140       2.8328      0.00000
    141       2.8636      0.00000
    142       2.8888      0.00000
    143       2.9450      0.00000
    144       3.0872      0.00000
    145       3.2802      0.00000
    146       3.2945      0.00000
    147       3.3541      0.00000
    148       3.3831      0.00000
    149       3.4630      0.00000
    150       3.5740      0.00000
    151       3.6184      0.00000
    152       3.6662      0.00000
    153       3.7035      0.00000
    154       3.9032      0.00000
    155       3.9298      0.00000
    156       3.9810      0.00000
    157       4.0737      0.00000
    158       4.1957      0.00000
    159       4.2399      0.00000
    160       4.2927      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2139      1.00000
      2     -22.0076      1.00000
      3     -21.6489      1.00000
      4     -21.6119      1.00000
      5     -20.9126      1.00000
      6     -20.8663      1.00000
      7     -20.5453      1.00000
      8     -20.5060      1.00000
      9     -20.4956      1.00000
     10     -19.9632      1.00000
     11     -19.4419      1.00000
     12     -19.4150      1.00000
     13     -19.2412      1.00000
     14     -19.2268      1.00000
     15     -18.3836      1.00000
     16     -18.3396      1.00000
     17     -17.8595      1.00000
     18     -17.8386      1.00000
     19     -17.6974      1.00000
     20     -17.6549      1.00000
     21     -17.3716      1.00000
     22     -17.3556      1.00000
     23     -17.2740      1.00000
     24     -16.4007      1.00000
     25     -16.3860      1.00000
     26     -15.8961      1.00000
     27     -15.3520      1.00000
     28     -15.3367      1.00000
     29     -15.0341      1.00000
     30     -15.0204      1.00000
     31     -14.7990      1.00000
     32     -14.7744      1.00000
     33     -14.2213      1.00000
     34     -14.1894      1.00000
     35     -13.3703      1.00000
     36     -13.3368      1.00000
     37     -13.1192      1.00000
     38     -13.1019      1.00000
     39     -12.9159      1.00000
     40     -12.9025      1.00000
     41     -12.5560      1.00000
     42     -12.5382      1.00000
     43     -12.1325      1.00000
     44     -11.5210      1.00000
     45     -11.4734      1.00000
     46     -11.2529      1.00000
     47     -11.2193      1.00000
     48     -11.0788      1.00000
     49     -10.6569      1.00000
     50     -10.5880      1.00000
     51     -10.5225      1.00000
     52     -10.2573      1.00000
     53     -10.2486      1.00000
     54     -10.1221      1.00000
     55     -10.0483      1.00000
     56     -10.0404      1.00000
     57      -9.7685      1.00000
     58      -9.7046      1.00000
     59      -9.6795      1.00000
     60      -9.6300      1.00000
     61      -9.6259      1.00000
     62      -9.5878      1.00000
     63      -9.2937      1.00000
     64      -9.2847      1.00000
     65      -9.2526      1.00000
     66      -9.0848      1.00000
     67      -8.8964      1.00000
     68      -8.8830      1.00000
     69      -8.7246      1.00000
     70      -8.5873      1.00000
     71      -8.5135      1.00000
     72      -8.3305      1.00000
     73      -8.3023      1.00000
     74      -8.2640      1.00000
     75      -8.2325      1.00000
     76      -8.1944      1.00000
     77      -8.1854      1.00000
     78      -8.1702      1.00000
     79      -8.0976      1.00000
     80      -7.6882      1.00000
     81      -7.3573      1.00000
     82      -7.3097      1.00000
     83      -7.2648      1.00000
     84      -7.1863      1.00000
     85      -7.1252      1.00000
     86      -7.0768      1.00000
     87      -6.9067      1.00000
     88      -6.8824      1.00000
     89      -6.5486      1.00000
     90      -6.4918      1.00000
     91      -6.2090      1.00000
     92      -6.0687      1.00000
     93      -5.9410      1.00000
     94      -5.7134      1.00000
     95      -5.6327      1.00000
     96      -5.4520      1.00000
     97      -5.3041      1.00000
     98      -5.2340      1.00000
     99      -5.1519      1.00000
    100      -5.1513      1.00000
    101      -4.5192      1.00000
    102      -4.4693      1.00000
    103      -4.1406      1.00000
    104      -3.8318      1.00000
    105      -3.7560      1.00000
    106      -3.6797      1.00000
    107      -1.8702      0.00000
    108      -1.8240      0.00000
    109      -1.2775      0.00000
    110      -1.0357      0.00000
    111      -1.0116      0.00000
    112      -0.7125      0.00000
    113      -0.6395      0.00000
    114      -0.5879      0.00000
    115      -0.5457      0.00000
    116      -0.2047      0.00000
    117       0.2529      0.00000
    118       0.2790      0.00000
    119       0.7610      0.00000
    120       0.9450      0.00000
    121       1.1337      0.00000
    122       1.2282      0.00000
    123       1.3198      0.00000
    124       1.4113      0.00000
    125       1.6031      0.00000
    126       1.6345      0.00000
    127       1.7043      0.00000
    128       1.8171      0.00000
    129       1.9200      0.00000
    130       2.0160      0.00000
    131       2.0815      0.00000
    132       2.3035      0.00000
    133       2.3969      0.00000
    134       2.4348      0.00000
    135       2.5394      0.00000
    136       2.6345      0.00000
    137       2.7285      0.00000
    138       2.7963      0.00000
    139       2.8340      0.00000
    140       2.8839      0.00000
    141       3.0390      0.00000
    142       3.0924      0.00000
    143       3.1885      0.00000
    144       3.2363      0.00000
    145       3.3813      0.00000
    146       3.4226      0.00000
    147       3.4819      0.00000
    148       3.5709      0.00000
    149       3.5976      0.00000
    150       3.6271      0.00000
    151       3.6495      0.00000
    152       3.7388      0.00000
    153       3.7575      0.00000
    154       3.7775      0.00000
    155       3.7898      0.00000
    156       3.8884      0.00000
    157       3.9786      0.00000
    158       3.9998      0.00000
    159       4.1756      0.00000
    160       4.2229      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2477      1.00000
      2     -21.8933      1.00000
      3     -21.8228      1.00000
      4     -21.3113      1.00000
      5     -21.2811      1.00000
      6     -20.7701      1.00000
      7     -20.7043      1.00000
      8     -20.5558      1.00000
      9     -20.0084      1.00000
     10     -20.0010      1.00000
     11     -19.6474      1.00000
     12     -19.6232      1.00000
     13     -18.9290      1.00000
     14     -18.9205      1.00000
     15     -18.5700      1.00000
     16     -18.5561      1.00000
     17     -18.3934      1.00000
     18     -17.6142      1.00000
     19     -17.5582      1.00000
     20     -17.5531      1.00000
     21     -17.5116      1.00000
     22     -17.0552      1.00000
     23     -17.0376      1.00000
     24     -16.8907      1.00000
     25     -15.9289      1.00000
     26     -15.8668      1.00000
     27     -15.5158      1.00000
     28     -15.5150      1.00000
     29     -15.2278      1.00000
     30     -14.7938      1.00000
     31     -14.7666      1.00000
     32     -14.5145      1.00000
     33     -14.4706      1.00000
     34     -14.1011      1.00000
     35     -14.0900      1.00000
     36     -13.0755      1.00000
     37     -13.0322      1.00000
     38     -12.9661      1.00000
     39     -12.9541      1.00000
     40     -12.6445      1.00000
     41     -12.6380      1.00000
     42     -12.2734      1.00000
     43     -12.2421      1.00000
     44     -11.5862      1.00000
     45     -11.5599      1.00000
     46     -11.5059      1.00000
     47     -10.9030      1.00000
     48     -10.8503      1.00000
     49     -10.6191      1.00000
     50     -10.5582      1.00000
     51     -10.4845      1.00000
     52     -10.4329      1.00000
     53     -10.4233      1.00000
     54     -10.3701      1.00000
     55     -10.2930      1.00000
     56     -10.0642      1.00000
     57      -9.8331      1.00000
     58      -9.5471      1.00000
     59      -9.4878      1.00000
     60      -9.4682      1.00000
     61      -9.3456      1.00000
     62      -9.3301      1.00000
     63      -9.3096      1.00000
     64      -9.3078      1.00000
     65      -9.2140      1.00000
     66      -9.1111      1.00000
     67      -9.0799      1.00000
     68      -9.0491      1.00000
     69      -8.8458      1.00000
     70      -8.7922      1.00000
     71      -8.7733      1.00000
     72      -8.5269      1.00000
     73      -8.4743      1.00000
     74      -8.2195      1.00000
     75      -8.1092      1.00000
     76      -8.0985      1.00000
     77      -7.8063      1.00000
     78      -7.7830      1.00000
     79      -7.7807      1.00000
     80      -7.6726      1.00000
     81      -7.6306      1.00000
     82      -7.6296      1.00000
     83      -7.4020      1.00000
     84      -7.3245      1.00000
     85      -7.2023      1.00000
     86      -6.8389      1.00000
     87      -6.8283      1.00000
     88      -6.6600      1.00000
     89      -6.5384      1.00000
     90      -6.3433      1.00000
     91      -6.3067      1.00000
     92      -6.1838      1.00000
     93      -6.1467      1.00000
     94      -5.9775      1.00000
     95      -5.5718      1.00000
     96      -5.4259      1.00000
     97      -5.2587      1.00000
     98      -5.2461      1.00000
     99      -5.1487      1.00000
    100      -4.6947      1.00000
    101      -4.6647      1.00000
    102      -4.3486      1.00000
    103      -4.3124      1.00000
    104      -3.9626      1.00000
    105      -3.8246      1.00000
    106      -3.3897      1.00000
    107      -2.2198      0.00000
    108      -1.3762      0.00000
    109      -1.2868      0.00000
    110      -1.1730      0.00000
    111      -1.0777      0.00000
    112      -0.8934      0.00000
    113      -0.7678      0.00000
    114      -0.7570      0.00000
    115      -0.2211      0.00000
    116       0.1137      0.00000
    117       0.2642      0.00000
    118       0.3465      0.00000
    119       0.7353      0.00000
    120       0.9055      0.00000
    121       0.9726      0.00000
    122       1.0941      0.00000
    123       1.2065      0.00000
    124       1.5313      0.00000
    125       1.5673      0.00000
    126       1.7104      0.00000
    127       1.8383      0.00000
    128       1.8624      0.00000
    129       1.9540      0.00000
    130       2.0032      0.00000
    131       2.1481      0.00000
    132       2.2719      0.00000
    133       2.4305      0.00000
    134       2.4617      0.00000
    135       2.4878      0.00000
    136       2.6665      0.00000
    137       2.6855      0.00000
    138       2.7347      0.00000
    139       2.7421      0.00000
    140       2.8902      0.00000
    141       3.0244      0.00000
    142       3.0821      0.00000
    143       3.1792      0.00000
    144       3.2300      0.00000
    145       3.2468      0.00000
    146       3.2620      0.00000
    147       3.3555      0.00000
    148       3.4769      0.00000
    149       3.5324      0.00000
    150       3.6997      0.00000
    151       3.7435      0.00000
    152       3.7711      0.00000
    153       3.8256      0.00000
    154       3.8780      0.00000
    155       3.9453      0.00000
    156       3.9818      0.00000
    157       4.0055      0.00000
    158       4.0340      0.00000
    159       4.0390      0.00000
    160       4.0862      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1416      1.00000
      2     -22.0466      1.00000
      3     -21.8864      1.00000
      4     -21.3343      1.00000
      5     -20.9814      1.00000
      6     -20.9430      1.00000
      7     -20.4329      1.00000
      8     -20.3905      1.00000
      9     -20.2262      1.00000
     10     -20.2049      1.00000
     11     -19.8887      1.00000
     12     -19.8212      1.00000
     13     -18.8144      1.00000
     14     -18.7434      1.00000
     15     -18.2894      1.00000
     16     -18.2362      1.00000
     17     -18.0854      1.00000
     18     -18.0654      1.00000
     19     -17.7610      1.00000
     20     -17.7188      1.00000
     21     -17.1883      1.00000
     22     -17.1694      1.00000
     23     -17.0992      1.00000
     24     -17.0634      1.00000
     25     -16.0376      1.00000
     26     -15.8224      1.00000
     27     -15.7993      1.00000
     28     -15.7641      1.00000
     29     -15.1732      1.00000
     30     -14.4905      1.00000
     31     -14.4580      1.00000
     32     -14.2173      1.00000
     33     -13.8946      1.00000
     34     -13.8896      1.00000
     35     -13.7554      1.00000
     36     -13.7353      1.00000
     37     -13.5511      1.00000
     38     -13.5026      1.00000
     39     -13.2997      1.00000
     40     -12.5640      1.00000
     41     -12.1243      1.00000
     42     -12.0655      1.00000
     43     -12.0095      1.00000
     44     -11.9511      1.00000
     45     -11.6101      1.00000
     46     -11.5875      1.00000
     47     -11.0840      1.00000
     48     -11.0514      1.00000
     49     -10.7515      1.00000
     50     -10.6634      1.00000
     51     -10.5243      1.00000
     52     -10.1479      1.00000
     53     -10.1380      1.00000
     54     -10.0962      1.00000
     55      -9.9524      1.00000
     56      -9.9472      1.00000
     57      -9.9170      1.00000
     58      -9.7369      1.00000
     59      -9.7306      1.00000
     60      -9.7000      1.00000
     61      -9.6900      1.00000
     62      -9.4272      1.00000
     63      -9.3627      1.00000
     64      -9.0841      1.00000
     65      -9.0060      1.00000
     66      -8.9741      1.00000
     67      -8.8875      1.00000
     68      -8.8113      1.00000
     69      -8.6571      1.00000
     70      -8.6344      1.00000
     71      -8.5760      1.00000
     72      -8.4776      1.00000
     73      -8.4669      1.00000
     74      -8.3974      1.00000
     75      -8.3938      1.00000
     76      -8.1839      1.00000
     77      -8.1126      1.00000
     78      -7.9773      1.00000
     79      -7.9136      1.00000
     80      -7.8462      1.00000
     81      -7.6163      1.00000
     82      -7.5300      1.00000
     83      -7.4684      1.00000
     84      -7.2600      1.00000
     85      -6.9335      1.00000
     86      -6.8572      1.00000
     87      -6.8106      1.00000
     88      -6.5725      1.00000
     89      -6.4661      1.00000
     90      -6.4197      1.00000
     91      -6.3566      1.00000
     92      -6.0508      1.00000
     93      -5.8768      1.00000
     94      -5.7526      1.00000
     95      -5.7215      1.00000
     96      -5.4757      1.00000
     97      -5.3453      1.00000
     98      -5.1799      1.00000
     99      -5.1559      1.00000
    100      -5.1543      1.00000
    101      -4.7061      1.00000
    102      -4.4398      1.00000
    103      -4.2527      1.00000
    104      -3.9938      1.00000
    105      -3.8234      1.00000
    106      -3.1561      1.00000
    107      -2.4628      0.00000
    108      -1.3789      0.00000
    109      -1.2406      0.00000
    110      -1.1460      0.00000
    111      -1.1144      0.00000
    112      -0.5644      0.00000
    113      -0.4343      0.00000
    114      -0.4298      0.00000
    115      -0.3098      0.00000
    116      -0.1903      0.00000
    117       0.0622      0.00000
    118       0.1165      0.00000
    119       0.5407      0.00000
    120       0.6842      0.00000
    121       0.8720      0.00000
    122       0.9684      0.00000
    123       1.1110      0.00000
    124       1.4956      0.00000
    125       1.6624      0.00000
    126       1.8085      0.00000
    127       1.8761      0.00000
    128       2.0966      0.00000
    129       2.1092      0.00000
    130       2.1817      0.00000
    131       2.2122      0.00000
    132       2.3403      0.00000
    133       2.3420      0.00000
    134       2.4827      0.00000
    135       2.5676      0.00000
    136       2.6712      0.00000
    137       2.8819      0.00000
    138       2.9379      0.00000
    139       2.9661      0.00000
    140       2.9883      0.00000
    141       3.0379      0.00000
    142       3.1524      0.00000
    143       3.1579      0.00000
    144       3.2400      0.00000
    145       3.2921      0.00000
    146       3.3341      0.00000
    147       3.3503      0.00000
    148       3.3811      0.00000
    149       3.4025      0.00000
    150       3.4971      0.00000
    151       3.5452      0.00000
    152       3.6220      0.00000
    153       3.6704      0.00000
    154       3.7056      0.00000
    155       3.7101      0.00000
    156       3.9206      0.00000
    157       3.9309      0.00000
    158       4.0569      0.00000
    159       4.0925      0.00000
    160       4.2024      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2475      1.00000
      2     -21.8948      1.00000
      3     -21.8213      1.00000
      4     -21.3159      1.00000
      5     -21.2772      1.00000
      6     -20.7711      1.00000
      7     -20.7022      1.00000
      8     -20.5542      1.00000
      9     -20.0224      1.00000
     10     -19.9902      1.00000
     11     -19.6499      1.00000
     12     -19.6189      1.00000
     13     -18.9429      1.00000
     14     -18.9083      1.00000
     15     -18.5836      1.00000
     16     -18.5462      1.00000
     17     -18.3917      1.00000
     18     -17.6013      1.00000
     19     -17.5701      1.00000
     20     -17.5408      1.00000
     21     -17.5080      1.00000
     22     -17.0738      1.00000
     23     -17.0271      1.00000
     24     -16.8996      1.00000
     25     -15.9448      1.00000
     26     -15.8507      1.00000
     27     -15.5327      1.00000
     28     -15.5062      1.00000
     29     -15.2087      1.00000
     30     -14.8132      1.00000
     31     -14.7609      1.00000
     32     -14.5089      1.00000
     33     -14.4672      1.00000
     34     -14.0956      1.00000
     35     -14.0925      1.00000
     36     -13.1038      1.00000
     37     -13.0292      1.00000
     38     -12.9561      1.00000
     39     -12.9489      1.00000
     40     -12.6550      1.00000
     41     -12.6268      1.00000
     42     -12.2736      1.00000
     43     -12.2465      1.00000
     44     -11.5721      1.00000
     45     -11.5528      1.00000
     46     -11.5001      1.00000
     47     -10.8770      1.00000
     48     -10.8677      1.00000
     49     -10.6790      1.00000
     50     -10.5245      1.00000
     51     -10.5196      1.00000
     52     -10.4329      1.00000
     53     -10.4157      1.00000
     54     -10.3696      1.00000
     55     -10.2874      1.00000
     56     -10.0599      1.00000
     57      -9.8319      1.00000
     58      -9.5577      1.00000
     59      -9.4839      1.00000
     60      -9.4428      1.00000
     61      -9.3548      1.00000
     62      -9.3386      1.00000
     63      -9.3072      1.00000
     64      -9.3022      1.00000
     65      -9.2058      1.00000
     66      -9.0986      1.00000
     67      -9.0677      1.00000
     68      -9.0484      1.00000
     69      -8.8485      1.00000
     70      -8.7960      1.00000
     71      -8.7772      1.00000
     72      -8.5265      1.00000
     73      -8.4954      1.00000
     74      -8.2241      1.00000
     75      -8.1285      1.00000
     76      -8.0922      1.00000
     77      -7.8058      1.00000
     78      -7.7668      1.00000
     79      -7.7398      1.00000
     80      -7.7016      1.00000
     81      -7.6347      1.00000
     82      -7.6240      1.00000
     83      -7.3883      1.00000
     84      -7.3442      1.00000
     85      -7.2214      1.00000
     86      -6.8427      1.00000
     87      -6.8201      1.00000
     88      -6.6384      1.00000
     89      -6.5292      1.00000
     90      -6.3407      1.00000
     91      -6.2726      1.00000
     92      -6.1948      1.00000
     93      -6.1311      1.00000
     94      -6.0201      1.00000
     95      -5.6345      1.00000
     96      -5.5081      1.00000
     97      -5.2973      1.00000
     98      -5.1557      1.00000
     99      -5.0395      1.00000
    100      -4.7245      1.00000
    101      -4.6851      1.00000
    102      -4.3673      1.00000
    103      -4.1829      1.00000
    104      -4.0068      1.00000
    105      -3.8229      1.00000
    106      -3.4839      1.00000
    107      -2.1643      0.00000
    108      -1.3833      0.00000
    109      -1.2350      0.00000
    110      -1.1847      0.00000
    111      -1.0141      0.00000
    112      -0.9555      0.00000
    113      -0.7971      0.00000
    114      -0.7519      0.00000
    115      -0.3677      0.00000
    116       0.2461      0.00000
    117       0.2770      0.00000
    118       0.3641      0.00000
    119       0.7010      0.00000
    120       0.8691      0.00000
    121       0.9662      0.00000
    122       1.1259      0.00000
    123       1.2366      0.00000
    124       1.4551      0.00000
    125       1.5600      0.00000
    126       1.7805      0.00000
    127       1.8487      0.00000
    128       1.8753      0.00000
    129       1.9879      0.00000
    130       2.0271      0.00000
    131       2.1839      0.00000
    132       2.2151      0.00000
    133       2.4052      0.00000
    134       2.4230      0.00000
    135       2.5298      0.00000
    136       2.6589      0.00000
    137       2.6848      0.00000
    138       2.7308      0.00000
    139       2.7671      0.00000
    140       2.8536      0.00000
    141       2.9688      0.00000
    142       3.0792      0.00000
    143       3.1704      0.00000
    144       3.2231      0.00000
    145       3.2497      0.00000
    146       3.2846      0.00000
    147       3.3263      0.00000
    148       3.4771      0.00000
    149       3.5137      0.00000
    150       3.7036      0.00000
    151       3.7230      0.00000
    152       3.7707      0.00000
    153       3.8586      0.00000
    154       3.8686      0.00000
    155       3.8966      0.00000
    156       3.9813      0.00000
    157       3.9985      0.00000
    158       4.0349      0.00000
    159       4.0496      0.00000
    160       4.0860      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3195      1.00000
      2     -21.7613      1.00000
      3     -21.5675      1.00000
      4     -21.5404      1.00000
      5     -21.2047      1.00000
      6     -21.1659      1.00000
      7     -20.9855      1.00000
      8     -20.0983      1.00000
      9     -20.0595      1.00000
     10     -19.5458      1.00000
     11     -19.5259      1.00000
     12     -19.3445      1.00000
     13     -19.0275      1.00000
     14     -18.9878      1.00000
     15     -18.9773      1.00000
     16     -18.9716      1.00000
     17     -18.2955      1.00000
     18     -18.2822      1.00000
     19     -17.9458      1.00000
     20     -16.9999      1.00000
     21     -16.9591      1.00000
     22     -16.8820      1.00000
     23     -16.8693      1.00000
     24     -16.4155      1.00000
     25     -16.3929      1.00000
     26     -15.5404      1.00000
     27     -15.5372      1.00000
     28     -15.1724      1.00000
     29     -15.1708      1.00000
     30     -15.1304      1.00000
     31     -15.0357      1.00000
     32     -15.0007      1.00000
     33     -14.6329      1.00000
     34     -14.6261      1.00000
     35     -13.6622      1.00000
     36     -13.6525      1.00000
     37     -13.1704      1.00000
     38     -12.5719      1.00000
     39     -12.5128      1.00000
     40     -12.3853      1.00000
     41     -12.3846      1.00000
     42     -12.0346      1.00000
     43     -12.0306      1.00000
     44     -11.6544      1.00000
     45     -11.6142      1.00000
     46     -11.2047      1.00000
     47     -11.1567      1.00000
     48     -10.9543      1.00000
     49     -10.9418      1.00000
     50     -10.8599      1.00000
     51     -10.8277      1.00000
     52     -10.6230      1.00000
     53     -10.1450      1.00000
     54     -10.0838      1.00000
     55     -10.0244      1.00000
     56      -9.9453      1.00000
     57      -9.6304      1.00000
     58      -9.6288      1.00000
     59      -9.6028      1.00000
     60      -9.5400      1.00000
     61      -9.5025      1.00000
     62      -9.4790      1.00000
     63      -9.2713      1.00000
     64      -9.2349      1.00000
     65      -9.2069      1.00000
     66      -9.1789      1.00000
     67      -9.0623      1.00000
     68      -9.0464      1.00000
     69      -9.0429      1.00000
     70      -8.8767      1.00000
     71      -8.8081      1.00000
     72      -8.5327      1.00000
     73      -8.5323      1.00000
     74      -8.4964      1.00000
     75      -8.0304      1.00000
     76      -7.8311      1.00000
     77      -7.7984      1.00000
     78      -7.7741      1.00000
     79      -7.7024      1.00000
     80      -7.6840      1.00000
     81      -7.4157      1.00000
     82      -7.2863      1.00000
     83      -7.2512      1.00000
     84      -7.2030      1.00000
     85      -7.0807      1.00000
     86      -7.0765      1.00000
     87      -6.9376      1.00000
     88      -6.7104      1.00000
     89      -6.6738      1.00000
     90      -6.6292      1.00000
     91      -6.5573      1.00000
     92      -6.0708      1.00000
     93      -6.0309      1.00000
     94      -6.0004      1.00000
     95      -5.9374      1.00000
     96      -5.7988      1.00000
     97      -5.1783      1.00000
     98      -4.8929      1.00000
     99      -4.7930      1.00000
    100      -4.6105      1.00000
    101      -4.5118      1.00000
    102      -4.1390      1.00000
    103      -4.0901      1.00000
    104      -3.9303      1.00000
    105      -3.9152      1.00000
    106      -3.8223      1.00000
    107      -1.7517      0.00000
    108      -1.6959      0.00000
    109      -1.4102      0.00000
    110      -1.3701      0.00000
    111      -1.2642      0.00000
    112      -1.2359      0.00000
    113      -0.6254      0.00000
    114      -0.5981      0.00000
    115      -0.1894      0.00000
    116       0.0411      0.00000
    117       0.5850      0.00000
    118       0.7420      0.00000
    119       0.8497      0.00000
    120       0.9287      0.00000
    121       1.1677      0.00000
    122       1.2119      0.00000
    123       1.2460      0.00000
    124       1.4215      0.00000
    125       1.5972      0.00000
    126       1.6380      0.00000
    127       1.7068      0.00000
    128       1.7905      0.00000
    129       1.9203      0.00000
    130       1.9404      0.00000
    131       2.1424      0.00000
    132       2.1754      0.00000
    133       2.2595      0.00000
    134       2.3025      0.00000
    135       2.5443      0.00000
    136       2.5640      0.00000
    137       2.6107      0.00000
    138       2.7602      0.00000
    139       2.7969      0.00000
    140       2.8194      0.00000
    141       2.8936      0.00000
    142       2.9268      0.00000
    143       3.0143      0.00000
    144       3.0315      0.00000
    145       3.0924      0.00000
    146       3.2989      0.00000
    147       3.3411      0.00000
    148       3.3985      0.00000
    149       3.4739      0.00000
    150       3.5907      0.00000
    151       3.6484      0.00000
    152       3.6528      0.00000
    153       3.6766      0.00000
    154       3.8881      0.00000
    155       3.9676      0.00000
    156       4.0134      0.00000
    157       4.0754      0.00000
    158       4.2304      0.00000
    159       4.2549      0.00000
    160       4.2588      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1407      1.00000
      2     -22.0480      1.00000
      3     -21.8859      1.00000
      4     -21.3352      1.00000
      5     -20.9765      1.00000
      6     -20.9470      1.00000
      7     -20.4277      1.00000
      8     -20.3958      1.00000
      9     -20.2157      1.00000
     10     -20.2139      1.00000
     11     -19.8875      1.00000
     12     -19.8238      1.00000
     13     -18.8173      1.00000
     14     -18.7467      1.00000
     15     -18.2654      1.00000
     16     -18.2514      1.00000
     17     -18.0799      1.00000
     18     -18.0733      1.00000
     19     -17.7455      1.00000
     20     -17.7298      1.00000
     21     -17.1944      1.00000
     22     -17.1712      1.00000
     23     -17.0883      1.00000
     24     -17.0677      1.00000
     25     -16.0536      1.00000
     26     -15.8082      1.00000
     27     -15.7986      1.00000
     28     -15.7773      1.00000
     29     -15.1586      1.00000
     30     -14.4851      1.00000
     31     -14.4639      1.00000
     32     -14.2036      1.00000
     33     -13.9157      1.00000
     34     -13.8862      1.00000
     35     -13.7586      1.00000
     36     -13.7384      1.00000
     37     -13.5357      1.00000
     38     -13.5100      1.00000
     39     -13.3011      1.00000
     40     -12.5763      1.00000
     41     -12.1006      1.00000
     42     -12.0765      1.00000
     43     -11.9981      1.00000
     44     -11.9506      1.00000
     45     -11.6048      1.00000
     46     -11.5974      1.00000
     47     -11.0833      1.00000
     48     -11.0606      1.00000
     49     -10.7310      1.00000
     50     -10.6643      1.00000
     51     -10.5563      1.00000
     52     -10.1392      1.00000
     53     -10.1348      1.00000
     54     -10.1008      1.00000
     55      -9.9655      1.00000
     56      -9.9249      1.00000
     57      -9.9216      1.00000
     58      -9.7500      1.00000
     59      -9.7286      1.00000
     60      -9.6970      1.00000
     61      -9.6941      1.00000
     62      -9.3994      1.00000
     63      -9.3886      1.00000
     64      -9.0673      1.00000
     65      -8.9819      1.00000
     66      -8.9808      1.00000
     67      -8.9050      1.00000
     68      -8.8121      1.00000
     69      -8.6487      1.00000
     70      -8.6332      1.00000
     71      -8.5455      1.00000
     72      -8.5011      1.00000
     73      -8.4821      1.00000
     74      -8.3938      1.00000
     75      -8.3820      1.00000
     76      -8.2093      1.00000
     77      -8.1008      1.00000
     78      -8.0067      1.00000
     79      -7.9007      1.00000
     80      -7.8423      1.00000
     81      -7.6215      1.00000
     82      -7.5327      1.00000
     83      -7.4565      1.00000
     84      -7.2562      1.00000
     85      -6.9421      1.00000
     86      -6.8681      1.00000
     87      -6.8097      1.00000
     88      -6.4780      1.00000
     89      -6.4675      1.00000
     90      -6.4091      1.00000
     91      -6.3596      1.00000
     92      -6.1864      1.00000
     93      -5.8580      1.00000
     94      -5.7374      1.00000
     95      -5.7111      1.00000
     96      -5.5220      1.00000
     97      -5.3288      1.00000
     98      -5.1720      1.00000
     99      -5.1673      1.00000
    100      -5.1339      1.00000
    101      -4.6955      1.00000
    102      -4.3480      1.00000
    103      -4.2767      1.00000
    104      -4.0266      1.00000
    105      -3.8244      1.00000
    106      -3.2329      1.00000
    107      -2.4052      0.00000
    108      -1.3454      0.00000
    109      -1.2434      0.00000
    110      -1.1532      0.00000
    111      -1.1082      0.00000
    112      -0.5835      0.00000
    113      -0.5207      0.00000
    114      -0.4335      0.00000
    115      -0.2744      0.00000
    116      -0.0718      0.00000
    117      -0.0112      0.00000
    118       0.0602      0.00000
    119       0.5843      0.00000
    120       0.7107      0.00000
    121       0.8106      0.00000
    122       0.9434      0.00000
    123       1.1832      0.00000
    124       1.5128      0.00000
    125       1.6187      0.00000
    126       1.8618      0.00000
    127       2.0071      0.00000
    128       2.0505      0.00000
    129       2.1159      0.00000
    130       2.1165      0.00000
    131       2.2440      0.00000
    132       2.2857      0.00000
    133       2.3430      0.00000
    134       2.4434      0.00000
    135       2.6054      0.00000
    136       2.7026      0.00000
    137       2.8234      0.00000
    138       2.9151      0.00000
    139       2.9421      0.00000
    140       3.0073      0.00000
    141       3.0455      0.00000
    142       3.1429      0.00000
    143       3.1599      0.00000
    144       3.2185      0.00000
    145       3.3011      0.00000
    146       3.3106      0.00000
    147       3.3543      0.00000
    148       3.3742      0.00000
    149       3.4191      0.00000
    150       3.4347      0.00000
    151       3.5527      0.00000
    152       3.6048      0.00000
    153       3.6761      0.00000
    154       3.7069      0.00000
    155       3.8507      0.00000
    156       3.8973      0.00000
    157       3.9339      0.00000
    158       3.9571      0.00000
    159       4.1526      0.00000
    160       4.1850      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2134      1.00000
      2     -22.0083      1.00000
      3     -21.6462      1.00000
      4     -21.6150      1.00000
      5     -20.9097      1.00000
      6     -20.8691      1.00000
      7     -20.5391      1.00000
      8     -20.5065      1.00000
      9     -20.4997      1.00000
     10     -19.9622      1.00000
     11     -19.4406      1.00000
     12     -19.4189      1.00000
     13     -19.2398      1.00000
     14     -19.2328      1.00000
     15     -18.3759      1.00000
     16     -18.3409      1.00000
     17     -17.8585      1.00000
     18     -17.8426      1.00000
     19     -17.6910      1.00000
     20     -17.6552      1.00000
     21     -17.3719      1.00000
     22     -17.3579      1.00000
     23     -17.2669      1.00000
     24     -16.4130      1.00000
     25     -16.3897      1.00000
     26     -15.9046      1.00000
     27     -15.3433      1.00000
     28     -15.3385      1.00000
     29     -15.0308      1.00000
     30     -15.0212      1.00000
     31     -14.7760      1.00000
     32     -14.7737      1.00000
     33     -14.2370      1.00000
     34     -14.1868      1.00000
     35     -13.3869      1.00000
     36     -13.3331      1.00000
     37     -13.1107      1.00000
     38     -13.1027      1.00000
     39     -12.9176      1.00000
     40     -12.9121      1.00000
     41     -12.5449      1.00000
     42     -12.5373      1.00000
     43     -12.1330      1.00000
     44     -11.5133      1.00000
     45     -11.4690      1.00000
     46     -11.2443      1.00000
     47     -11.2128      1.00000
     48     -11.0856      1.00000
     49     -10.7024      1.00000
     50     -10.5952      1.00000
     51     -10.5084      1.00000
     52     -10.2512      1.00000
     53     -10.2471      1.00000
     54     -10.1212      1.00000
     55     -10.0537      1.00000
     56     -10.0387      1.00000
     57      -9.7835      1.00000
     58      -9.6867      1.00000
     59      -9.6737      1.00000
     60      -9.6372      1.00000
     61      -9.6275      1.00000
     62      -9.5860      1.00000
     63      -9.2949      1.00000
     64      -9.2831      1.00000
     65      -9.2525      1.00000
     66      -9.0622      1.00000
     67      -8.8944      1.00000
     68      -8.8834      1.00000
     69      -8.7186      1.00000
     70      -8.5793      1.00000
     71      -8.5256      1.00000
     72      -8.3502      1.00000
     73      -8.3045      1.00000
     74      -8.2432      1.00000
     75      -8.2375      1.00000
     76      -8.1941      1.00000
     77      -8.1809      1.00000
     78      -8.1692      1.00000
     79      -8.1043      1.00000
     80      -7.6891      1.00000
     81      -7.4203      1.00000
     82      -7.3423      1.00000
     83      -7.2590      1.00000
     84      -7.1683      1.00000
     85      -7.1103      1.00000
     86      -7.0049      1.00000
     87      -6.9038      1.00000
     88      -6.8482      1.00000
     89      -6.5412      1.00000
     90      -6.4980      1.00000
     91      -6.2089      1.00000
     92      -6.2009      1.00000
     93      -5.8945      1.00000
     94      -5.6729      1.00000
     95      -5.6063      1.00000
     96      -5.5804      1.00000
     97      -5.2531      1.00000
     98      -5.2310      1.00000
     99      -5.1647      1.00000
    100      -5.1345      1.00000
    101      -4.5987      1.00000
    102      -4.2470      1.00000
    103      -4.0431      1.00000
    104      -3.8844      1.00000
    105      -3.8377      1.00000
    106      -3.7994      1.00000
    107      -1.8077      0.00000
    108      -1.7806      0.00000
    109      -1.2256      0.00000
    110      -1.1749      0.00000
    111      -0.9736      0.00000
    112      -0.7343      0.00000
    113      -0.6493      0.00000
    114      -0.5934      0.00000
    115      -0.5496      0.00000
    116      -0.1551      0.00000
    117       0.1772      0.00000
    118       0.2881      0.00000
    119       0.7066      0.00000
    120       0.9490      0.00000
    121       1.1703      0.00000
    122       1.2782      0.00000
    123       1.3446      0.00000
    124       1.5132      0.00000
    125       1.6097      0.00000
    126       1.6295      0.00000
    127       1.6927      0.00000
    128       1.7721      0.00000
    129       1.8611      0.00000
    130       2.0557      0.00000
    131       2.1571      0.00000
    132       2.3014      0.00000
    133       2.3974      0.00000
    134       2.4194      0.00000
    135       2.5562      0.00000
    136       2.6268      0.00000
    137       2.6867      0.00000
    138       2.7181      0.00000
    139       2.7915      0.00000
    140       2.9049      0.00000
    141       3.0475      0.00000
    142       3.0633      0.00000
    143       3.1835      0.00000
    144       3.2786      0.00000
    145       3.3827      0.00000
    146       3.4087      0.00000
    147       3.4569      0.00000
    148       3.5403      0.00000
    149       3.5718      0.00000
    150       3.6339      0.00000
    151       3.6626      0.00000
    152       3.7015      0.00000
    153       3.7687      0.00000
    154       3.7704      0.00000
    155       3.8253      0.00000
    156       3.8951      0.00000
    157       3.9011      0.00000
    158       3.9675      0.00000
    159       4.1882      0.00000
    160       4.2256      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3561      1.00000
      2     -21.5362      1.00000
      3     -21.4067      1.00000
      4     -21.4058      1.00000
      5     -21.3746      1.00000
      6     -21.3654      1.00000
      7     -21.3582      1.00000
      8     -19.6455      1.00000
      9     -19.5718      1.00000
     10     -19.5649      1.00000
     11     -19.5581      1.00000
     12     -19.5400      1.00000
     13     -19.5372      1.00000
     14     -18.7274      1.00000
     15     -18.6792      1.00000
     16     -18.6718      1.00000
     17     -18.6583      1.00000
     18     -18.6428      1.00000
     19     -18.6412      1.00000
     20     -16.5850      1.00000
     21     -16.5260      1.00000
     22     -16.5235      1.00000
     23     -16.5107      1.00000
     24     -16.4864      1.00000
     25     -16.4846      1.00000
     26     -15.5578      1.00000
     27     -15.5258      1.00000
     28     -15.5251      1.00000
     29     -15.4994      1.00000
     30     -15.4945      1.00000
     31     -15.4885      1.00000
     32     -14.2054      1.00000
     33     -14.1797      1.00000
     34     -14.1670      1.00000
     35     -14.1645      1.00000
     36     -14.1593      1.00000
     37     -14.1483      1.00000
     38     -11.8818      1.00000
     39     -11.8072      1.00000
     40     -11.7917      1.00000
     41     -11.7913      1.00000
     42     -11.7881      1.00000
     43     -11.7823      1.00000
     44     -11.7042      1.00000
     45     -11.6974      1.00000
     46     -11.6723      1.00000
     47     -11.6574      1.00000
     48     -11.6572      1.00000
     49     -11.6500      1.00000
     50     -10.6713      1.00000
     51     -10.3284      1.00000
     52     -10.3203      1.00000
     53     -10.3051      1.00000
     54     -10.3036      1.00000
     55     -10.2904      1.00000
     56     -10.2775      1.00000
     57      -9.9247      1.00000
     58      -9.3724      1.00000
     59      -9.3591      1.00000
     60      -9.3001      1.00000
     61      -9.2918      1.00000
     62      -9.2851      1.00000
     63      -9.0912      1.00000
     64      -9.0536      1.00000
     65      -9.0488      1.00000
     66      -9.0260      1.00000
     67      -9.0060      1.00000
     68      -9.0013      1.00000
     69      -9.0000      1.00000
     70      -8.9947      1.00000
     71      -8.9911      1.00000
     72      -8.9718      1.00000
     73      -8.9644      1.00000
     74      -8.9534      1.00000
     75      -8.4909      1.00000
     76      -7.5149      1.00000
     77      -7.4092      1.00000
     78      -7.4091      1.00000
     79      -7.3982      1.00000
     80      -7.3833      1.00000
     81      -7.3632      1.00000
     82      -7.3409      1.00000
     83      -7.3103      1.00000
     84      -7.2678      1.00000
     85      -7.2064      1.00000
     86      -7.1800      1.00000
     87      -7.1797      1.00000
     88      -7.0769      1.00000
     89      -6.5070      1.00000
     90      -6.4607      1.00000
     91      -6.3550      1.00000
     92      -6.2937      1.00000
     93      -6.2876      1.00000
     94      -6.2863      1.00000
     95      -5.8964      1.00000
     96      -5.8841      1.00000
     97      -5.0418      1.00000
     98      -4.9359      1.00000
     99      -4.5374      1.00000
    100      -4.3406      1.00000
    101      -4.3177      1.00000
    102      -4.3168      1.00000
    103      -4.1152      1.00000
    104      -3.9110      1.00000
    105      -3.9006      1.00000
    106      -3.8282      1.00000
    107      -1.6815      0.00000
    108      -1.6668      0.00000
    109      -1.5366      0.00000
    110      -1.5352      0.00000
    111      -1.5227      0.00000
    112      -1.5089      0.00000
    113      -0.5877      0.00000
    114       0.1342      0.00000
    115       0.2076      0.00000
    116       0.3250      0.00000
    117       0.3268      0.00000
    118       0.3341      0.00000
    119       0.4948      0.00000
    120       0.5973      0.00000
    121       1.2587      0.00000
    122       1.2725      0.00000
    123       1.5261      0.00000
    124       1.7724      0.00000
    125       1.8056      0.00000
    126       1.8089      0.00000
    127       1.8138      0.00000
    128       1.9465      0.00000
    129       1.9815      0.00000
    130       2.0323      0.00000
    131       2.0459      0.00000
    132       2.0510      0.00000
    133       2.0559      0.00000
    134       2.0600      0.00000
    135       2.3093      0.00000
    136       2.3157      0.00000
    137       2.6177      0.00000
    138       2.6252      0.00000
    139       2.6544      0.00000
    140       2.7164      0.00000
    141       2.8646      0.00000
    142       3.0059      0.00000
    143       3.0305      0.00000
    144       3.0593      0.00000
    145       3.0630      0.00000
    146       3.0635      0.00000
    147       3.0883      0.00000
    148       3.2310      0.00000
    149       3.4306      0.00000
    150       3.5382      0.00000
    151       3.7781      0.00000
    152       3.9395      0.00000
    153       3.9413      0.00000
    154       3.9459      0.00000
    155       3.9520      0.00000
    156       3.9977      0.00000
    157       4.1739      0.00000
    158       4.2582      0.00000
    159       4.2854      0.00000
    160       4.2864      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3195      1.00000
      2     -21.7609      1.00000
      3     -21.5702      1.00000
      4     -21.5375      1.00000
      5     -21.2074      1.00000
      6     -21.1625      1.00000
      7     -20.9868      1.00000
      8     -20.1013      1.00000
      9     -20.0572      1.00000
     10     -19.5458      1.00000
     11     -19.5212      1.00000
     12     -19.3487      1.00000
     13     -19.0242      1.00000
     14     -18.9891      1.00000
     15     -18.9811      1.00000
     16     -18.9688      1.00000
     17     -18.2969      1.00000
     18     -18.2776      1.00000
     19     -17.9516      1.00000
     20     -17.0090      1.00000
     21     -16.9592      1.00000
     22     -16.8782      1.00000
     23     -16.8682      1.00000
     24     -16.4042      1.00000
     25     -16.3895      1.00000
     26     -15.5513      1.00000
     27     -15.5354      1.00000
     28     -15.1970      1.00000
     29     -15.1687      1.00000
     30     -15.1142      1.00000
     31     -15.0271      1.00000
     32     -15.0025      1.00000
     33     -14.6356      1.00000
     34     -14.6239      1.00000
     35     -13.6666      1.00000
     36     -13.6515      1.00000
     37     -13.1690      1.00000
     38     -12.5501      1.00000
     39     -12.5172      1.00000
     40     -12.3905      1.00000
     41     -12.3775      1.00000
     42     -12.0564      1.00000
     43     -12.0338      1.00000
     44     -11.6584      1.00000
     45     -11.6165      1.00000
     46     -11.1796      1.00000
     47     -11.1560      1.00000
     48     -10.9639      1.00000
     49     -10.9402      1.00000
     50     -10.8727      1.00000
     51     -10.8366      1.00000
     52     -10.6013      1.00000
     53     -10.0924      1.00000
     54     -10.0880      1.00000
     55     -10.0450      1.00000
     56      -9.9696      1.00000
     57      -9.6535      1.00000
     58      -9.6286      1.00000
     59      -9.5917      1.00000
     60      -9.5289      1.00000
     61      -9.5102      1.00000
     62      -9.4788      1.00000
     63      -9.2632      1.00000
     64      -9.2406      1.00000
     65      -9.2204      1.00000
     66      -9.1657      1.00000
     67      -9.0682      1.00000
     68      -9.0464      1.00000
     69      -9.0403      1.00000
     70      -8.8823      1.00000
     71      -8.8055      1.00000
     72      -8.5750      1.00000
     73      -8.5215      1.00000
     74      -8.4561      1.00000
     75      -8.0344      1.00000
     76      -7.8102      1.00000
     77      -7.8065      1.00000
     78      -7.7918      1.00000
     79      -7.6997      1.00000
     80      -7.6901      1.00000
     81      -7.3651      1.00000
     82      -7.2728      1.00000
     83      -7.2637      1.00000
     84      -7.2160      1.00000
     85      -7.1727      1.00000
     86      -7.0088      1.00000
     87      -6.9466      1.00000
     88      -6.7456      1.00000
     89      -6.6719      1.00000
     90      -6.5943      1.00000
     91      -6.5592      1.00000
     92      -6.0496      1.00000
     93      -6.0461      1.00000
     94      -6.0211      1.00000
     95      -5.9585      1.00000
     96      -5.7363      1.00000
     97      -5.1518      1.00000
     98      -4.9884      1.00000
     99      -4.7180      1.00000
    100      -4.6106      1.00000
    101      -4.4385      1.00000
    102      -4.3728      1.00000
    103      -4.1209      1.00000
    104      -3.8670      1.00000
    105      -3.8287      1.00000
    106      -3.7899      1.00000
    107      -1.7845      0.00000
    108      -1.7385      0.00000
    109      -1.3946      0.00000
    110      -1.3458      0.00000
    111      -1.2643      0.00000
    112      -1.2257      0.00000
    113      -0.7458      0.00000
    114      -0.3798      0.00000
    115      -0.2199      0.00000
    116      -0.0196      0.00000
    117       0.5906      0.00000
    118       0.7378      0.00000
    119       0.7653      0.00000
    120       1.0505      0.00000
    121       1.1420      0.00000
    122       1.2506      0.00000
    123       1.2708      0.00000
    124       1.4142      0.00000
    125       1.4808      0.00000
    126       1.5855      0.00000
    127       1.7473      0.00000
    128       1.8375      0.00000
    129       1.8935      0.00000
    130       1.9591      0.00000
    131       2.0983      0.00000
    132       2.2385      0.00000
    133       2.2489      0.00000
    134       2.2979      0.00000
    135       2.4894      0.00000
    136       2.6004      0.00000
    137       2.6285      0.00000
    138       2.7693      0.00000
    139       2.7849      0.00000
    140       2.8328      0.00000
    141       2.8636      0.00000
    142       2.8888      0.00000
    143       2.9450      0.00000
    144       3.0872      0.00000
    145       3.2802      0.00000
    146       3.2945      0.00000
    147       3.3541      0.00000
    148       3.3831      0.00000
    149       3.4630      0.00000
    150       3.5740      0.00000
    151       3.6184      0.00000
    152       3.6662      0.00000
    153       3.7035      0.00000
    154       3.9032      0.00000
    155       3.9298      0.00000
    156       3.9810      0.00000
    157       4.0737      0.00000
    158       4.1957      0.00000
    159       4.2399      0.00000
    160       4.2927      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2139      1.00000
      2     -22.0076      1.00000
      3     -21.6489      1.00000
      4     -21.6119      1.00000
      5     -20.9126      1.00000
      6     -20.8663      1.00000
      7     -20.5453      1.00000
      8     -20.5060      1.00000
      9     -20.4956      1.00000
     10     -19.9632      1.00000
     11     -19.4419      1.00000
     12     -19.4150      1.00000
     13     -19.2412      1.00000
     14     -19.2268      1.00000
     15     -18.3836      1.00000
     16     -18.3396      1.00000
     17     -17.8595      1.00000
     18     -17.8386      1.00000
     19     -17.6974      1.00000
     20     -17.6549      1.00000
     21     -17.3716      1.00000
     22     -17.3556      1.00000
     23     -17.2740      1.00000
     24     -16.4007      1.00000
     25     -16.3860      1.00000
     26     -15.8961      1.00000
     27     -15.3520      1.00000
     28     -15.3367      1.00000
     29     -15.0341      1.00000
     30     -15.0204      1.00000
     31     -14.7990      1.00000
     32     -14.7744      1.00000
     33     -14.2213      1.00000
     34     -14.1894      1.00000
     35     -13.3703      1.00000
     36     -13.3368      1.00000
     37     -13.1192      1.00000
     38     -13.1019      1.00000
     39     -12.9159      1.00000
     40     -12.9025      1.00000
     41     -12.5560      1.00000
     42     -12.5382      1.00000
     43     -12.1325      1.00000
     44     -11.5210      1.00000
     45     -11.4734      1.00000
     46     -11.2529      1.00000
     47     -11.2193      1.00000
     48     -11.0788      1.00000
     49     -10.6569      1.00000
     50     -10.5880      1.00000
     51     -10.5225      1.00000
     52     -10.2573      1.00000
     53     -10.2486      1.00000
     54     -10.1221      1.00000
     55     -10.0483      1.00000
     56     -10.0404      1.00000
     57      -9.7685      1.00000
     58      -9.7046      1.00000
     59      -9.6795      1.00000
     60      -9.6300      1.00000
     61      -9.6259      1.00000
     62      -9.5878      1.00000
     63      -9.2937      1.00000
     64      -9.2847      1.00000
     65      -9.2526      1.00000
     66      -9.0848      1.00000
     67      -8.8964      1.00000
     68      -8.8830      1.00000
     69      -8.7246      1.00000
     70      -8.5873      1.00000
     71      -8.5135      1.00000
     72      -8.3305      1.00000
     73      -8.3023      1.00000
     74      -8.2640      1.00000
     75      -8.2325      1.00000
     76      -8.1944      1.00000
     77      -8.1854      1.00000
     78      -8.1702      1.00000
     79      -8.0976      1.00000
     80      -7.6882      1.00000
     81      -7.3573      1.00000
     82      -7.3097      1.00000
     83      -7.2648      1.00000
     84      -7.1863      1.00000
     85      -7.1252      1.00000
     86      -7.0768      1.00000
     87      -6.9067      1.00000
     88      -6.8824      1.00000
     89      -6.5486      1.00000
     90      -6.4918      1.00000
     91      -6.2090      1.00000
     92      -6.0687      1.00000
     93      -5.9410      1.00000
     94      -5.7134      1.00000
     95      -5.6327      1.00000
     96      -5.4520      1.00000
     97      -5.3041      1.00000
     98      -5.2340      1.00000
     99      -5.1519      1.00000
    100      -5.1513      1.00000
    101      -4.5192      1.00000
    102      -4.4693      1.00000
    103      -4.1406      1.00000
    104      -3.8318      1.00000
    105      -3.7560      1.00000
    106      -3.6797      1.00000
    107      -1.8702      0.00000
    108      -1.8240      0.00000
    109      -1.2775      0.00000
    110      -1.0357      0.00000
    111      -1.0116      0.00000
    112      -0.7125      0.00000
    113      -0.6395      0.00000
    114      -0.5879      0.00000
    115      -0.5457      0.00000
    116      -0.2047      0.00000
    117       0.2529      0.00000
    118       0.2790      0.00000
    119       0.7610      0.00000
    120       0.9450      0.00000
    121       1.1337      0.00000
    122       1.2282      0.00000
    123       1.3198      0.00000
    124       1.4113      0.00000
    125       1.6031      0.00000
    126       1.6345      0.00000
    127       1.7043      0.00000
    128       1.8171      0.00000
    129       1.9200      0.00000
    130       2.0160      0.00000
    131       2.0815      0.00000
    132       2.3035      0.00000
    133       2.3969      0.00000
    134       2.4348      0.00000
    135       2.5394      0.00000
    136       2.6345      0.00000
    137       2.7285      0.00000
    138       2.7963      0.00000
    139       2.8340      0.00000
    140       2.8839      0.00000
    141       3.0390      0.00000
    142       3.0924      0.00000
    143       3.1885      0.00000
    144       3.2363      0.00000
    145       3.3813      0.00000
    146       3.4226      0.00000
    147       3.4819      0.00000
    148       3.5709      0.00000
    149       3.5976      0.00000
    150       3.6271      0.00000
    151       3.6495      0.00000
    152       3.7388      0.00000
    153       3.7575      0.00000
    154       3.7775      0.00000
    155       3.7898      0.00000
    156       3.8884      0.00000
    157       3.9786      0.00000
    158       3.9998      0.00000
    159       4.1756      0.00000
    160       4.2229      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2477      1.00000
      2     -21.8933      1.00000
      3     -21.8228      1.00000
      4     -21.3113      1.00000
      5     -21.2811      1.00000
      6     -20.7701      1.00000
      7     -20.7043      1.00000
      8     -20.5558      1.00000
      9     -20.0084      1.00000
     10     -20.0010      1.00000
     11     -19.6474      1.00000
     12     -19.6232      1.00000
     13     -18.9290      1.00000
     14     -18.9205      1.00000
     15     -18.5700      1.00000
     16     -18.5561      1.00000
     17     -18.3934      1.00000
     18     -17.6142      1.00000
     19     -17.5582      1.00000
     20     -17.5531      1.00000
     21     -17.5116      1.00000
     22     -17.0552      1.00000
     23     -17.0376      1.00000
     24     -16.8907      1.00000
     25     -15.9289      1.00000
     26     -15.8668      1.00000
     27     -15.5158      1.00000
     28     -15.5150      1.00000
     29     -15.2278      1.00000
     30     -14.7938      1.00000
     31     -14.7666      1.00000
     32     -14.5145      1.00000
     33     -14.4706      1.00000
     34     -14.1011      1.00000
     35     -14.0900      1.00000
     36     -13.0755      1.00000
     37     -13.0322      1.00000
     38     -12.9661      1.00000
     39     -12.9541      1.00000
     40     -12.6445      1.00000
     41     -12.6380      1.00000
     42     -12.2734      1.00000
     43     -12.2421      1.00000
     44     -11.5862      1.00000
     45     -11.5599      1.00000
     46     -11.5059      1.00000
     47     -10.9030      1.00000
     48     -10.8503      1.00000
     49     -10.6191      1.00000
     50     -10.5582      1.00000
     51     -10.4845      1.00000
     52     -10.4329      1.00000
     53     -10.4233      1.00000
     54     -10.3701      1.00000
     55     -10.2930      1.00000
     56     -10.0642      1.00000
     57      -9.8331      1.00000
     58      -9.5471      1.00000
     59      -9.4878      1.00000
     60      -9.4682      1.00000
     61      -9.3456      1.00000
     62      -9.3301      1.00000
     63      -9.3096      1.00000
     64      -9.3078      1.00000
     65      -9.2140      1.00000
     66      -9.1111      1.00000
     67      -9.0799      1.00000
     68      -9.0491      1.00000
     69      -8.8458      1.00000
     70      -8.7922      1.00000
     71      -8.7733      1.00000
     72      -8.5269      1.00000
     73      -8.4743      1.00000
     74      -8.2195      1.00000
     75      -8.1092      1.00000
     76      -8.0985      1.00000
     77      -7.8063      1.00000
     78      -7.7830      1.00000
     79      -7.7807      1.00000
     80      -7.6726      1.00000
     81      -7.6306      1.00000
     82      -7.6296      1.00000
     83      -7.4020      1.00000
     84      -7.3245      1.00000
     85      -7.2023      1.00000
     86      -6.8389      1.00000
     87      -6.8283      1.00000
     88      -6.6600      1.00000
     89      -6.5384      1.00000
     90      -6.3433      1.00000
     91      -6.3067      1.00000
     92      -6.1838      1.00000
     93      -6.1467      1.00000
     94      -5.9775      1.00000
     95      -5.5718      1.00000
     96      -5.4259      1.00000
     97      -5.2587      1.00000
     98      -5.2461      1.00000
     99      -5.1487      1.00000
    100      -4.6947      1.00000
    101      -4.6647      1.00000
    102      -4.3486      1.00000
    103      -4.3124      1.00000
    104      -3.9626      1.00000
    105      -3.8246      1.00000
    106      -3.3897      1.00000
    107      -2.2198      0.00000
    108      -1.3762      0.00000
    109      -1.2868      0.00000
    110      -1.1730      0.00000
    111      -1.0777      0.00000
    112      -0.8934      0.00000
    113      -0.7678      0.00000
    114      -0.7570      0.00000
    115      -0.2211      0.00000
    116       0.1137      0.00000
    117       0.2642      0.00000
    118       0.3465      0.00000
    119       0.7353      0.00000
    120       0.9055      0.00000
    121       0.9726      0.00000
    122       1.0941      0.00000
    123       1.2065      0.00000
    124       1.5313      0.00000
    125       1.5673      0.00000
    126       1.7104      0.00000
    127       1.8383      0.00000
    128       1.8624      0.00000
    129       1.9540      0.00000
    130       2.0032      0.00000
    131       2.1481      0.00000
    132       2.2719      0.00000
    133       2.4305      0.00000
    134       2.4617      0.00000
    135       2.4878      0.00000
    136       2.6665      0.00000
    137       2.6855      0.00000
    138       2.7347      0.00000
    139       2.7421      0.00000
    140       2.8902      0.00000
    141       3.0244      0.00000
    142       3.0821      0.00000
    143       3.1791      0.00000
    144       3.2300      0.00000
    145       3.2468      0.00000
    146       3.2620      0.00000
    147       3.3555      0.00000
    148       3.4769      0.00000
    149       3.5324      0.00000
    150       3.6997      0.00000
    151       3.7434      0.00000
    152       3.7711      0.00000
    153       3.8256      0.00000
    154       3.8780      0.00000
    155       3.9453      0.00000
    156       3.9818      0.00000
    157       4.0055      0.00000
    158       4.0340      0.00000
    159       4.0390      0.00000
    160       4.0862      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1416      1.00000
      2     -22.0466      1.00000
      3     -21.8864      1.00000
      4     -21.3343      1.00000
      5     -20.9814      1.00000
      6     -20.9430      1.00000
      7     -20.4329      1.00000
      8     -20.3905      1.00000
      9     -20.2262      1.00000
     10     -20.2049      1.00000
     11     -19.8887      1.00000
     12     -19.8212      1.00000
     13     -18.8144      1.00000
     14     -18.7434      1.00000
     15     -18.2894      1.00000
     16     -18.2362      1.00000
     17     -18.0854      1.00000
     18     -18.0654      1.00000
     19     -17.7610      1.00000
     20     -17.7188      1.00000
     21     -17.1883      1.00000
     22     -17.1694      1.00000
     23     -17.0992      1.00000
     24     -17.0634      1.00000
     25     -16.0376      1.00000
     26     -15.8224      1.00000
     27     -15.7993      1.00000
     28     -15.7641      1.00000
     29     -15.1732      1.00000
     30     -14.4905      1.00000
     31     -14.4580      1.00000
     32     -14.2173      1.00000
     33     -13.8946      1.00000
     34     -13.8896      1.00000
     35     -13.7554      1.00000
     36     -13.7353      1.00000
     37     -13.5511      1.00000
     38     -13.5026      1.00000
     39     -13.2997      1.00000
     40     -12.5640      1.00000
     41     -12.1243      1.00000
     42     -12.0655      1.00000
     43     -12.0095      1.00000
     44     -11.9511      1.00000
     45     -11.6101      1.00000
     46     -11.5875      1.00000
     47     -11.0840      1.00000
     48     -11.0514      1.00000
     49     -10.7515      1.00000
     50     -10.6634      1.00000
     51     -10.5243      1.00000
     52     -10.1479      1.00000
     53     -10.1380      1.00000
     54     -10.0962      1.00000
     55      -9.9524      1.00000
     56      -9.9472      1.00000
     57      -9.9170      1.00000
     58      -9.7369      1.00000
     59      -9.7306      1.00000
     60      -9.7000      1.00000
     61      -9.6900      1.00000
     62      -9.4272      1.00000
     63      -9.3627      1.00000
     64      -9.0841      1.00000
     65      -9.0060      1.00000
     66      -8.9741      1.00000
     67      -8.8875      1.00000
     68      -8.8113      1.00000
     69      -8.6571      1.00000
     70      -8.6344      1.00000
     71      -8.5760      1.00000
     72      -8.4776      1.00000
     73      -8.4669      1.00000
     74      -8.3974      1.00000
     75      -8.3938      1.00000
     76      -8.1839      1.00000
     77      -8.1126      1.00000
     78      -7.9773      1.00000
     79      -7.9136      1.00000
     80      -7.8462      1.00000
     81      -7.6163      1.00000
     82      -7.5300      1.00000
     83      -7.4684      1.00000
     84      -7.2600      1.00000
     85      -6.9335      1.00000
     86      -6.8572      1.00000
     87      -6.8106      1.00000
     88      -6.5725      1.00000
     89      -6.4661      1.00000
     90      -6.4197      1.00000
     91      -6.3566      1.00000
     92      -6.0508      1.00000
     93      -5.8768      1.00000
     94      -5.7526      1.00000
     95      -5.7215      1.00000
     96      -5.4757      1.00000
     97      -5.3453      1.00000
     98      -5.1799      1.00000
     99      -5.1559      1.00000
    100      -5.1543      1.00000
    101      -4.7061      1.00000
    102      -4.4398      1.00000
    103      -4.2527      1.00000
    104      -3.9938      1.00000
    105      -3.8234      1.00000
    106      -3.1561      1.00000
    107      -2.4628      0.00000
    108      -1.3789      0.00000
    109      -1.2406      0.00000
    110      -1.1460      0.00000
    111      -1.1144      0.00000
    112      -0.5644      0.00000
    113      -0.4343      0.00000
    114      -0.4298      0.00000
    115      -0.3098      0.00000
    116      -0.1903      0.00000
    117       0.0622      0.00000
    118       0.1165      0.00000
    119       0.5407      0.00000
    120       0.6842      0.00000
    121       0.8720      0.00000
    122       0.9684      0.00000
    123       1.1110      0.00000
    124       1.4956      0.00000
    125       1.6624      0.00000
    126       1.8085      0.00000
    127       1.8761      0.00000
    128       2.0966      0.00000
    129       2.1092      0.00000
    130       2.1817      0.00000
    131       2.2122      0.00000
    132       2.3403      0.00000
    133       2.3420      0.00000
    134       2.4827      0.00000
    135       2.5676      0.00000
    136       2.6712      0.00000
    137       2.8819      0.00000
    138       2.9379      0.00000
    139       2.9661      0.00000
    140       2.9883      0.00000
    141       3.0379      0.00000
    142       3.1524      0.00000
    143       3.1579      0.00000
    144       3.2400      0.00000
    145       3.2921      0.00000
    146       3.3341      0.00000
    147       3.3503      0.00000
    148       3.3811      0.00000
    149       3.4025      0.00000
    150       3.4971      0.00000
    151       3.5452      0.00000
    152       3.6220      0.00000
    153       3.6704      0.00000
    154       3.7056      0.00000
    155       3.7101      0.00000
    156       3.9206      0.00000
    157       3.9309      0.00000
    158       4.0569      0.00000
    159       4.0925      0.00000
    160       4.2024      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2475      1.00000
      2     -21.8948      1.00000
      3     -21.8213      1.00000
      4     -21.3159      1.00000
      5     -21.2772      1.00000
      6     -20.7711      1.00000
      7     -20.7022      1.00000
      8     -20.5542      1.00000
      9     -20.0224      1.00000
     10     -19.9902      1.00000
     11     -19.6499      1.00000
     12     -19.6189      1.00000
     13     -18.9429      1.00000
     14     -18.9083      1.00000
     15     -18.5836      1.00000
     16     -18.5462      1.00000
     17     -18.3917      1.00000
     18     -17.6013      1.00000
     19     -17.5701      1.00000
     20     -17.5408      1.00000
     21     -17.5080      1.00000
     22     -17.0738      1.00000
     23     -17.0271      1.00000
     24     -16.8996      1.00000
     25     -15.9448      1.00000
     26     -15.8507      1.00000
     27     -15.5327      1.00000
     28     -15.5062      1.00000
     29     -15.2087      1.00000
     30     -14.8132      1.00000
     31     -14.7609      1.00000
     32     -14.5089      1.00000
     33     -14.4672      1.00000
     34     -14.0956      1.00000
     35     -14.0925      1.00000
     36     -13.1038      1.00000
     37     -13.0292      1.00000
     38     -12.9561      1.00000
     39     -12.9489      1.00000
     40     -12.6550      1.00000
     41     -12.6268      1.00000
     42     -12.2736      1.00000
     43     -12.2465      1.00000
     44     -11.5721      1.00000
     45     -11.5528      1.00000
     46     -11.5001      1.00000
     47     -10.8770      1.00000
     48     -10.8677      1.00000
     49     -10.6790      1.00000
     50     -10.5245      1.00000
     51     -10.5196      1.00000
     52     -10.4329      1.00000
     53     -10.4157      1.00000
     54     -10.3696      1.00000
     55     -10.2874      1.00000
     56     -10.0599      1.00000
     57      -9.8319      1.00000
     58      -9.5577      1.00000
     59      -9.4839      1.00000
     60      -9.4428      1.00000
     61      -9.3548      1.00000
     62      -9.3386      1.00000
     63      -9.3072      1.00000
     64      -9.3022      1.00000
     65      -9.2058      1.00000
     66      -9.0986      1.00000
     67      -9.0677      1.00000
     68      -9.0484      1.00000
     69      -8.8485      1.00000
     70      -8.7960      1.00000
     71      -8.7772      1.00000
     72      -8.5265      1.00000
     73      -8.4954      1.00000
     74      -8.2241      1.00000
     75      -8.1285      1.00000
     76      -8.0922      1.00000
     77      -7.8058      1.00000
     78      -7.7668      1.00000
     79      -7.7398      1.00000
     80      -7.7016      1.00000
     81      -7.6347      1.00000
     82      -7.6240      1.00000
     83      -7.3883      1.00000
     84      -7.3442      1.00000
     85      -7.2214      1.00000
     86      -6.8427      1.00000
     87      -6.8201      1.00000
     88      -6.6384      1.00000
     89      -6.5292      1.00000
     90      -6.3407      1.00000
     91      -6.2726      1.00000
     92      -6.1948      1.00000
     93      -6.1311      1.00000
     94      -6.0201      1.00000
     95      -5.6345      1.00000
     96      -5.5081      1.00000
     97      -5.2973      1.00000
     98      -5.1557      1.00000
     99      -5.0395      1.00000
    100      -4.7245      1.00000
    101      -4.6851      1.00000
    102      -4.3673      1.00000
    103      -4.1829      1.00000
    104      -4.0068      1.00000
    105      -3.8229      1.00000
    106      -3.4839      1.00000
    107      -2.1643      0.00000
    108      -1.3833      0.00000
    109      -1.2350      0.00000
    110      -1.1847      0.00000
    111      -1.0141      0.00000
    112      -0.9555      0.00000
    113      -0.7971      0.00000
    114      -0.7519      0.00000
    115      -0.3677      0.00000
    116       0.2461      0.00000
    117       0.2770      0.00000
    118       0.3641      0.00000
    119       0.7010      0.00000
    120       0.8691      0.00000
    121       0.9662      0.00000
    122       1.1259      0.00000
    123       1.2366      0.00000
    124       1.4551      0.00000
    125       1.5600      0.00000
    126       1.7805      0.00000
    127       1.8487      0.00000
    128       1.8753      0.00000
    129       1.9879      0.00000
    130       2.0271      0.00000
    131       2.1839      0.00000
    132       2.2151      0.00000
    133       2.4052      0.00000
    134       2.4230      0.00000
    135       2.5298      0.00000
    136       2.6589      0.00000
    137       2.6848      0.00000
    138       2.7308      0.00000
    139       2.7671      0.00000
    140       2.8536      0.00000
    141       2.9688      0.00000
    142       3.0792      0.00000
    143       3.1704      0.00000
    144       3.2231      0.00000
    145       3.2497      0.00000
    146       3.2846      0.00000
    147       3.3263      0.00000
    148       3.4771      0.00000
    149       3.5137      0.00000
    150       3.7036      0.00000
    151       3.7230      0.00000
    152       3.7707      0.00000
    153       3.8586      0.00000
    154       3.8686      0.00000
    155       3.8966      0.00000
    156       3.9813      0.00000
    157       3.9985      0.00000
    158       4.0349      0.00000
    159       4.0496      0.00000
    160       4.0860      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3195      1.00000
      2     -21.7613      1.00000
      3     -21.5675      1.00000
      4     -21.5404      1.00000
      5     -21.2047      1.00000
      6     -21.1659      1.00000
      7     -20.9855      1.00000
      8     -20.0983      1.00000
      9     -20.0595      1.00000
     10     -19.5458      1.00000
     11     -19.5259      1.00000
     12     -19.3445      1.00000
     13     -19.0275      1.00000
     14     -18.9878      1.00000
     15     -18.9773      1.00000
     16     -18.9716      1.00000
     17     -18.2955      1.00000
     18     -18.2822      1.00000
     19     -17.9458      1.00000
     20     -16.9999      1.00000
     21     -16.9591      1.00000
     22     -16.8820      1.00000
     23     -16.8693      1.00000
     24     -16.4155      1.00000
     25     -16.3929      1.00000
     26     -15.5404      1.00000
     27     -15.5372      1.00000
     28     -15.1724      1.00000
     29     -15.1708      1.00000
     30     -15.1304      1.00000
     31     -15.0357      1.00000
     32     -15.0007      1.00000
     33     -14.6329      1.00000
     34     -14.6261      1.00000
     35     -13.6622      1.00000
     36     -13.6525      1.00000
     37     -13.1704      1.00000
     38     -12.5719      1.00000
     39     -12.5128      1.00000
     40     -12.3853      1.00000
     41     -12.3846      1.00000
     42     -12.0346      1.00000
     43     -12.0306      1.00000
     44     -11.6544      1.00000
     45     -11.6142      1.00000
     46     -11.2047      1.00000
     47     -11.1567      1.00000
     48     -10.9543      1.00000
     49     -10.9418      1.00000
     50     -10.8599      1.00000
     51     -10.8277      1.00000
     52     -10.6230      1.00000
     53     -10.1450      1.00000
     54     -10.0838      1.00000
     55     -10.0244      1.00000
     56      -9.9453      1.00000
     57      -9.6304      1.00000
     58      -9.6288      1.00000
     59      -9.6028      1.00000
     60      -9.5400      1.00000
     61      -9.5025      1.00000
     62      -9.4790      1.00000
     63      -9.2713      1.00000
     64      -9.2349      1.00000
     65      -9.2069      1.00000
     66      -9.1789      1.00000
     67      -9.0623      1.00000
     68      -9.0464      1.00000
     69      -9.0429      1.00000
     70      -8.8767      1.00000
     71      -8.8081      1.00000
     72      -8.5327      1.00000
     73      -8.5323      1.00000
     74      -8.4964      1.00000
     75      -8.0304      1.00000
     76      -7.8311      1.00000
     77      -7.7984      1.00000
     78      -7.7741      1.00000
     79      -7.7024      1.00000
     80      -7.6840      1.00000
     81      -7.4157      1.00000
     82      -7.2863      1.00000
     83      -7.2512      1.00000
     84      -7.2030      1.00000
     85      -7.0807      1.00000
     86      -7.0765      1.00000
     87      -6.9376      1.00000
     88      -6.7104      1.00000
     89      -6.6738      1.00000
     90      -6.6292      1.00000
     91      -6.5573      1.00000
     92      -6.0708      1.00000
     93      -6.0309      1.00000
     94      -6.0004      1.00000
     95      -5.9374      1.00000
     96      -5.7988      1.00000
     97      -5.1783      1.00000
     98      -4.8929      1.00000
     99      -4.7930      1.00000
    100      -4.6105      1.00000
    101      -4.5118      1.00000
    102      -4.1390      1.00000
    103      -4.0901      1.00000
    104      -3.9303      1.00000
    105      -3.9152      1.00000
    106      -3.8223      1.00000
    107      -1.7517      0.00000
    108      -1.6959      0.00000
    109      -1.4102      0.00000
    110      -1.3701      0.00000
    111      -1.2642      0.00000
    112      -1.2359      0.00000
    113      -0.6254      0.00000
    114      -0.5981      0.00000
    115      -0.1894      0.00000
    116       0.0411      0.00000
    117       0.5850      0.00000
    118       0.7420      0.00000
    119       0.8497      0.00000
    120       0.9287      0.00000
    121       1.1677      0.00000
    122       1.2119      0.00000
    123       1.2460      0.00000
    124       1.4215      0.00000
    125       1.5972      0.00000
    126       1.6380      0.00000
    127       1.7068      0.00000
    128       1.7905      0.00000
    129       1.9203      0.00000
    130       1.9404      0.00000
    131       2.1424      0.00000
    132       2.1754      0.00000
    133       2.2595      0.00000
    134       2.3025      0.00000
    135       2.5443      0.00000
    136       2.5640      0.00000
    137       2.6107      0.00000
    138       2.7602      0.00000
    139       2.7969      0.00000
    140       2.8194      0.00000
    141       2.8936      0.00000
    142       2.9268      0.00000
    143       3.0143      0.00000
    144       3.0315      0.00000
    145       3.0924      0.00000
    146       3.2989      0.00000
    147       3.3411      0.00000
    148       3.3985      0.00000
    149       3.4739      0.00000
    150       3.5907      0.00000
    151       3.6484      0.00000
    152       3.6528      0.00000
    153       3.6766      0.00000
    154       3.8881      0.00000
    155       3.9676      0.00000
    156       4.0134      0.00000
    157       4.0754      0.00000
    158       4.2304      0.00000
    159       4.2549      0.00000
    160       4.2588      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1407      1.00000
      2     -22.0480      1.00000
      3     -21.8859      1.00000
      4     -21.3352      1.00000
      5     -20.9765      1.00000
      6     -20.9470      1.00000
      7     -20.4277      1.00000
      8     -20.3958      1.00000
      9     -20.2157      1.00000
     10     -20.2139      1.00000
     11     -19.8875      1.00000
     12     -19.8238      1.00000
     13     -18.8173      1.00000
     14     -18.7467      1.00000
     15     -18.2654      1.00000
     16     -18.2514      1.00000
     17     -18.0799      1.00000
     18     -18.0733      1.00000
     19     -17.7455      1.00000
     20     -17.7298      1.00000
     21     -17.1944      1.00000
     22     -17.1712      1.00000
     23     -17.0883      1.00000
     24     -17.0677      1.00000
     25     -16.0536      1.00000
     26     -15.8082      1.00000
     27     -15.7986      1.00000
     28     -15.7773      1.00000
     29     -15.1586      1.00000
     30     -14.4851      1.00000
     31     -14.4639      1.00000
     32     -14.2036      1.00000
     33     -13.9157      1.00000
     34     -13.8862      1.00000
     35     -13.7586      1.00000
     36     -13.7384      1.00000
     37     -13.5357      1.00000
     38     -13.5100      1.00000
     39     -13.3011      1.00000
     40     -12.5763      1.00000
     41     -12.1006      1.00000
     42     -12.0765      1.00000
     43     -11.9981      1.00000
     44     -11.9506      1.00000
     45     -11.6048      1.00000
     46     -11.5974      1.00000
     47     -11.0833      1.00000
     48     -11.0606      1.00000
     49     -10.7310      1.00000
     50     -10.6643      1.00000
     51     -10.5563      1.00000
     52     -10.1392      1.00000
     53     -10.1348      1.00000
     54     -10.1008      1.00000
     55      -9.9655      1.00000
     56      -9.9249      1.00000
     57      -9.9216      1.00000
     58      -9.7500      1.00000
     59      -9.7286      1.00000
     60      -9.6970      1.00000
     61      -9.6941      1.00000
     62      -9.3994      1.00000
     63      -9.3886      1.00000
     64      -9.0673      1.00000
     65      -8.9819      1.00000
     66      -8.9808      1.00000
     67      -8.9050      1.00000
     68      -8.8121      1.00000
     69      -8.6487      1.00000
     70      -8.6332      1.00000
     71      -8.5455      1.00000
     72      -8.5011      1.00000
     73      -8.4821      1.00000
     74      -8.3938      1.00000
     75      -8.3820      1.00000
     76      -8.2093      1.00000
     77      -8.1008      1.00000
     78      -8.0067      1.00000
     79      -7.9007      1.00000
     80      -7.8423      1.00000
     81      -7.6215      1.00000
     82      -7.5327      1.00000
     83      -7.4565      1.00000
     84      -7.2562      1.00000
     85      -6.9421      1.00000
     86      -6.8681      1.00000
     87      -6.8097      1.00000
     88      -6.4780      1.00000
     89      -6.4675      1.00000
     90      -6.4091      1.00000
     91      -6.3596      1.00000
     92      -6.1864      1.00000
     93      -5.8580      1.00000
     94      -5.7374      1.00000
     95      -5.7111      1.00000
     96      -5.5220      1.00000
     97      -5.3288      1.00000
     98      -5.1720      1.00000
     99      -5.1673      1.00000
    100      -5.1339      1.00000
    101      -4.6955      1.00000
    102      -4.3480      1.00000
    103      -4.2767      1.00000
    104      -4.0266      1.00000
    105      -3.8244      1.00000
    106      -3.2329      1.00000
    107      -2.4052      0.00000
    108      -1.3454      0.00000
    109      -1.2434      0.00000
    110      -1.1532      0.00000
    111      -1.1082      0.00000
    112      -0.5835      0.00000
    113      -0.5207      0.00000
    114      -0.4335      0.00000
    115      -0.2744      0.00000
    116      -0.0718      0.00000
    117      -0.0112      0.00000
    118       0.0602      0.00000
    119       0.5843      0.00000
    120       0.7107      0.00000
    121       0.8106      0.00000
    122       0.9434      0.00000
    123       1.1832      0.00000
    124       1.5128      0.00000
    125       1.6187      0.00000
    126       1.8618      0.00000
    127       2.0071      0.00000
    128       2.0505      0.00000
    129       2.1159      0.00000
    130       2.1165      0.00000
    131       2.2440      0.00000
    132       2.2857      0.00000
    133       2.3430      0.00000
    134       2.4434      0.00000
    135       2.6054      0.00000
    136       2.7026      0.00000
    137       2.8234      0.00000
    138       2.9151      0.00000
    139       2.9421      0.00000
    140       3.0073      0.00000
    141       3.0455      0.00000
    142       3.1429      0.00000
    143       3.1599      0.00000
    144       3.2185      0.00000
    145       3.3011      0.00000
    146       3.3106      0.00000
    147       3.3543      0.00000
    148       3.3742      0.00000
    149       3.4191      0.00000
    150       3.4347      0.00000
    151       3.5527      0.00000
    152       3.6048      0.00000
    153       3.6761      0.00000
    154       3.7069      0.00000
    155       3.8507      0.00000
    156       3.8973      0.00000
    157       3.9339      0.00000
    158       3.9570      0.00000
    159       4.1526      0.00000
    160       4.1850      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2134      1.00000
      2     -22.0083      1.00000
      3     -21.6462      1.00000
      4     -21.6150      1.00000
      5     -20.9097      1.00000
      6     -20.8691      1.00000
      7     -20.5391      1.00000
      8     -20.5065      1.00000
      9     -20.4997      1.00000
     10     -19.9622      1.00000
     11     -19.4406      1.00000
     12     -19.4189      1.00000
     13     -19.2398      1.00000
     14     -19.2328      1.00000
     15     -18.3759      1.00000
     16     -18.3409      1.00000
     17     -17.8585      1.00000
     18     -17.8426      1.00000
     19     -17.6910      1.00000
     20     -17.6552      1.00000
     21     -17.3719      1.00000
     22     -17.3579      1.00000
     23     -17.2669      1.00000
     24     -16.4130      1.00000
     25     -16.3897      1.00000
     26     -15.9046      1.00000
     27     -15.3433      1.00000
     28     -15.3385      1.00000
     29     -15.0308      1.00000
     30     -15.0212      1.00000
     31     -14.7760      1.00000
     32     -14.7737      1.00000
     33     -14.2370      1.00000
     34     -14.1868      1.00000
     35     -13.3869      1.00000
     36     -13.3331      1.00000
     37     -13.1107      1.00000
     38     -13.1027      1.00000
     39     -12.9176      1.00000
     40     -12.9121      1.00000
     41     -12.5449      1.00000
     42     -12.5373      1.00000
     43     -12.1330      1.00000
     44     -11.5133      1.00000
     45     -11.4690      1.00000
     46     -11.2443      1.00000
     47     -11.2128      1.00000
     48     -11.0856      1.00000
     49     -10.7024      1.00000
     50     -10.5952      1.00000
     51     -10.5084      1.00000
     52     -10.2512      1.00000
     53     -10.2471      1.00000
     54     -10.1212      1.00000
     55     -10.0537      1.00000
     56     -10.0387      1.00000
     57      -9.7835      1.00000
     58      -9.6867      1.00000
     59      -9.6737      1.00000
     60      -9.6372      1.00000
     61      -9.6275      1.00000
     62      -9.5860      1.00000
     63      -9.2949      1.00000
     64      -9.2831      1.00000
     65      -9.2525      1.00000
     66      -9.0622      1.00000
     67      -8.8944      1.00000
     68      -8.8834      1.00000
     69      -8.7186      1.00000
     70      -8.5793      1.00000
     71      -8.5256      1.00000
     72      -8.3502      1.00000
     73      -8.3045      1.00000
     74      -8.2432      1.00000
     75      -8.2375      1.00000
     76      -8.1941      1.00000
     77      -8.1809      1.00000
     78      -8.1692      1.00000
     79      -8.1043      1.00000
     80      -7.6891      1.00000
     81      -7.4203      1.00000
     82      -7.3423      1.00000
     83      -7.2590      1.00000
     84      -7.1683      1.00000
     85      -7.1103      1.00000
     86      -7.0049      1.00000
     87      -6.9038      1.00000
     88      -6.8482      1.00000
     89      -6.5412      1.00000
     90      -6.4980      1.00000
     91      -6.2089      1.00000
     92      -6.2009      1.00000
     93      -5.8945      1.00000
     94      -5.6729      1.00000
     95      -5.6063      1.00000
     96      -5.5804      1.00000
     97      -5.2531      1.00000
     98      -5.2310      1.00000
     99      -5.1647      1.00000
    100      -5.1345      1.00000
    101      -4.5987      1.00000
    102      -4.2470      1.00000
    103      -4.0431      1.00000
    104      -3.8844      1.00000
    105      -3.8377      1.00000
    106      -3.7994      1.00000
    107      -1.8077      0.00000
    108      -1.7806      0.00000
    109      -1.2256      0.00000
    110      -1.1749      0.00000
    111      -0.9736      0.00000
    112      -0.7343      0.00000
    113      -0.6493      0.00000
    114      -0.5934      0.00000
    115      -0.5496      0.00000
    116      -0.1551      0.00000
    117       0.1772      0.00000
    118       0.2881      0.00000
    119       0.7066      0.00000
    120       0.9490      0.00000
    121       1.1703      0.00000
    122       1.2782      0.00000
    123       1.3446      0.00000
    124       1.5132      0.00000
    125       1.6097      0.00000
    126       1.6295      0.00000
    127       1.6927      0.00000
    128       1.7721      0.00000
    129       1.8611      0.00000
    130       2.0557      0.00000
    131       2.1571      0.00000
    132       2.3014      0.00000
    133       2.3974      0.00000
    134       2.4194      0.00000
    135       2.5562      0.00000
    136       2.6268      0.00000
    137       2.6867      0.00000
    138       2.7181      0.00000
    139       2.7915      0.00000
    140       2.9049      0.00000
    141       3.0475      0.00000
    142       3.0633      0.00000
    143       3.1835      0.00000
    144       3.2786      0.00000
    145       3.3827      0.00000
    146       3.4087      0.00000
    147       3.4569      0.00000
    148       3.5403      0.00000
    149       3.5718      0.00000
    150       3.6339      0.00000
    151       3.6626      0.00000
    152       3.7015      0.00000
    153       3.7687      0.00000
    154       3.7704      0.00000
    155       3.8253      0.00000
    156       3.8951      0.00000
    157       3.9011      0.00000
    158       3.9675      0.00000
    159       4.1882      0.00000
    160       4.2256      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0395   -7.2570    3.9831   -1.1313   -0.1850   17.3736    0.4907   -0.8147    0.7706   -0.4756
x    -3.1265   -0.0252   -0.0205   -0.0264    0.0914   -3.0541    0.0302   -0.0243    0.0083    0.0018
x    -0.0953   -0.0029    0.0036   -0.0031    0.0021   -0.0242    0.0000    0.0000   -0.0001    0.0001
x    -0.0035   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0395    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0034    0.0000    0.0004    0.0007    0.0028   -0.0984   -0.0315    0.0618    0.0184
y     0.0232   -3.2428   -0.1789    0.1699   -2.4155   -0.6651
z   204.0395    1.7396    0.2871    0.0900   -0.0014    0.0775   -0.0019    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1047    0.0015   -0.0009   -0.0001    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0013   -0.0001    0.0001    0.0000
z    -0.0001    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  -16.6985
z     0.1410    0.2291   -0.0321    0.0572   -0.0903    0.0006
 total charge-density along one line
x   212.0000  -10.0881    5.9298   -1.9402   -0.4207   19.2928   -0.6589    0.2078    0.0653   -0.1048
x    -2.7069   -0.0088    0.0020   -0.0456    0.0974   -2.3456    0.0477   -0.0343    0.0117    0.0024
x    -0.0854   -0.0055    0.0083   -0.0079    0.0053   -0.0374    0.0000   -0.0001    0.0004   -0.0004
x    -0.0054    0.0000   -0.0002    0.0001    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  -10.0881    5.9298   -1.9402   -0.4207   19.2929   -0.6589    0.2078    0.0653   -0.1048
y    -2.7069   -0.0088    0.0020   -0.0456    0.0974   -2.3456    0.0477   -0.0343    0.0117    0.0024
y    -0.0854   -0.0055    0.0083   -0.0079    0.0053   -0.0374    0.0000   -0.0001    0.0004   -0.0004
y    -0.0054    0.0000   -0.0002    0.0001    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 -205.2967  188.8476 -170.1463  154.0918 -140.4427  126.5509 -111.0615   94.7711  -79.0859
z    64.7060  -51.7671   40.5412  -31.5081   24.8028  -19.8833   15.8776  -12.2191    8.9061   -6.2199
z     4.2919   -2.9616    1.9633   -1.1545    0.5446   -0.1601   -0.0587    0.2215   -0.3856    0.5203
z    -0.5681    0.5228   -0.4388    0.3757   -0.3480    0.3299   -0.2952    0.2449   -0.1974    0.1642
z    -0.1415    0.1195   -0.0956    0.0746   -0.0610    0.0533   -0.0468    0.0390   -0.0313    0.0258
z    -0.0227    0.0203   -0.0173    0.0140   -0.0113    0.0093   -0.0075    0.0058   -0.0043    0.0032
z    -0.0022    0.0013   -0.0004   -0.0002    0.0004   -0.0004    0.0005   -0.0008    0.0009   -0.0007
z     0.0004   -0.0002    0.0001   -0.0001    0.0000    0.0002   -0.0003    0.0003   -0.0003    0.0003
z    -0.0003    0.0003   -0.0002    0.0002   -0.0002    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001
z     0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 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
-10.939   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.267   0.000  -0.102   0.000   0.000   0.239   0.000
  0.041   0.000 -11.242   0.000  -0.024  -0.006   0.000   0.237
  0.000  -0.102   0.000 -11.150   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.936   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.237   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.225   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.199   0.000   0.000   0.000
  0.036   0.000   0.100   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.026   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.939   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.267   0.000  -0.102   0.000   0.000   0.239   0.000
  0.041   0.000 -11.242   0.000  -0.024  -0.006   0.000   0.237
  0.000  -0.102   0.000 -11.150   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.936   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.237   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.225   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.199   0.000   0.000   0.000
  0.036   0.000   0.100   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.026   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.960   0.000  -0.027   0.000   0.002   0.021   0.000   0.058   0.000  -0.014  -0.027   0.025   0.000   0.000   0.000   0.000
  0.000   1.586   0.000  -0.148   0.000   0.000   0.594   0.000   0.261   0.000   0.000   0.000   0.161   0.000   0.107  -0.035
 -0.027   0.000   1.789   0.000   0.019   0.044   0.000   0.352   0.000  -0.027  -0.232  -0.042   0.000   0.096   0.000   0.000
  0.000  -0.148   0.000   1.756   0.000   0.000   0.261   0.000   0.293   0.000   0.000   0.000   0.108   0.000   0.039   0.005
  0.002   0.000   0.019   0.000   1.966  -0.014   0.000  -0.035   0.000   0.003   0.011  -0.015   0.000   0.003   0.000   0.000
  0.021   0.000   0.044   0.000  -0.014   0.064   0.000   0.101   0.000  -0.024   0.194  -0.053   0.000   0.116   0.000   0.000
  0.000   0.594   0.000   0.261   0.000   0.000   0.329   0.000   0.107   0.000   0.000   0.000   0.057   0.000   0.066  -0.011
  0.058   0.000   0.352   0.000  -0.035   0.101   0.000   0.558   0.000  -0.057   0.698  -0.290   0.000   0.087   0.000   0.000
  0.000   0.261   0.000   0.293   0.000   0.000   0.107   0.000   0.205   0.000   0.000   0.000   0.065   0.000  -0.019  -0.006
 -0.014   0.000  -0.027   0.000   0.003  -0.024   0.000  -0.057   0.000   0.036  -0.110   0.031   0.000  -0.068   0.000   0.000
 -0.027   0.000  -0.232   0.000   0.011   0.194   0.000   0.698   0.000  -0.110   1.351  -0.432   0.000   0.267   0.000   0.000
  0.025   0.000  -0.042   0.000  -0.015  -0.053   0.000  -0.290   0.000   0.031  -0.432   0.191   0.000  -0.034   0.000   0.000
  0.000   0.161   0.000   0.108   0.000   0.000   0.057   0.000   0.065   0.000   0.000   0.000   0.043   0.000   0.012  -0.004
  0.000   0.000   0.096   0.000   0.003   0.116   0.000   0.087   0.000  -0.068   0.267  -0.034   0.000   0.308   0.000   0.000
  0.000   0.107   0.000   0.039   0.000   0.000   0.066   0.000  -0.019   0.000   0.000   0.000   0.012   0.000   0.031  -0.002
  0.000  -0.035   0.000   0.005   0.000   0.000  -0.011   0.000  -0.006   0.000   0.000   0.000  -0.004   0.000  -0.002   0.001
  0.002   0.000  -0.037   0.000  -0.001  -0.005   0.000  -0.009   0.000   0.003  -0.007   0.000   0.000  -0.014   0.000   0.000
  0.000   0.005   0.000  -0.041   0.000   0.000  -0.006   0.000  -0.004   0.000   0.000   0.000  -0.002   0.000  -0.002   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        0.638   0.275   8.027   8.941
  2        0.514   0.028   0.000   0.542
  3        0.514   0.028   0.000   0.542
  4        0.864   1.783   0.000   2.647
  5        0.864   1.783   0.000   2.646
  6        0.864   1.782   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   1.783   0.000   2.647
 10        0.864   1.784   0.000   2.648
 11        0.863   1.783   0.000   2.646
 12        0.864   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.646
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.863   1.777   0.000   2.640
 17        0.856   1.772   0.000   2.629
 18        0.864   1.784   0.000   2.648
 19        0.864   1.782   0.000   2.646
 20        0.864   1.782   0.000   2.646
 21        0.863   1.781   0.000   2.644
 22        0.863   1.776   0.000   2.640
 23        0.863   1.783   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   1.783   0.000   2.647
 29        0.864   1.783   0.000   2.647
 30        0.864   1.783   0.000   2.647
 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   1.782   0.000   2.646
 35        0.863   1.783   0.000   2.646
 36        0.863   1.776   0.000   2.640
 37        0.863   1.781   0.000   2.644
 38        0.864   1.782   0.000   2.646
 39        0.864   1.784   0.000   2.648
 40        0.864   1.784   0.000   2.648
 41        0.856   1.772   0.000   2.629
 42        0.863   1.777   0.000   2.640
 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   2.646
 46        0.864   1.785   0.000   2.648
 47        0.863   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   1.783   0.000   2.647
 51        0.864   1.784   0.000   2.648
 52        0.864   1.782   0.000   2.646
 53        0.864   1.783   0.000   2.646
------------------------------------------------
tot       44.832  89.434   8.027 142.293
 


 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  115.16: CPU time   58.04
    FORLOC:  VPU time    1.25: CPU time    1.25
    FORNL :  VPU time  443.36: CPU time  222.20
    STRESS:  VPU time 1364.67: CPU time  685.72
    FORCOR:  VPU time    8.76: CPU time    8.76
    FORHAR:  VPU time    2.31: CPU time    2.31
    MIXING:  VPU time    0.18: CPU time    0.18
 d Force = 0.1348847E-04[ 0.980E-05, 0.172E-04]  d Energy = 0.2187391E-04-0.839E-05
 d Force = 0.6257617E+00[ 0.626E+00, 0.626E+00]  d Ewald  = 0.3833311E+01-0.321E+01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.644914 eV

  energy  without entropy=     -471.644914  energy(sigma->0) =     -471.644914
 

  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    40728.66  40745.45 -47430.53     14.54      0.00      0.00
  Hartree  40194.14  40197.91 -39448.57      3.27      0.00      0.00
  E(xc)     -779.75   -779.55   -807.28      0.17      0.00      0.00
  Local   -83215.94 -83230.34  84196.39    -12.47      0.00      0.00
  n-local   -215.82   -215.72   -203.86     -0.17      0.00      0.00
  augment     22.10     20.52     17.37     -1.36      0.00      0.00
  Kinetic   3168.75   3171.40   3582.16     -6.17      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.16     -0.18     -0.39     -0.01      0.00      0.00
  in kB       -0.10     -0.11     -0.24     -0.01      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
    12.347346139  0.001697367  0.000000000     0.080982638  0.046740573  0.000000000
    -6.172209749 10.693960161  0.000000000    -0.000012854  0.093503309  0.000000000
     0.000000000  0.000000000 19.977370583     0.000000000  0.000000000  0.050056638

  length of vectors
    12.347346256 12.347346157 19.977370583     0.093503309  0.093503310  0.050056638


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.396E-05 -.457E-04 -.960E+03   0.430E-05 -.274E-04 0.967E+03   -.690E-22 -.433E-22 -.794E+01   -.974E-08 0.667E-08 0.508E-02
   -.176E+02 -.304E+02 -.136E+03   0.184E+02 0.319E+02 0.138E+03   -.830E+00 -.144E+01 -.258E+01   0.673E-04 0.115E-03 -.685E-03
   0.176E+02 0.304E+02 -.136E+03   -.184E+02 -.319E+02 0.138E+03   0.830E+00 0.144E+01 -.258E+01   -.673E-04 -.115E-03 -.685E-03
   -.196E+01 0.113E+01 0.171E+02   0.197E+01 -.114E+01 -.171E+02   -.907E-02 0.524E-02 -.821E-02   0.502E-03 -.293E-03 0.410E-02
   0.579E+01 0.689E+01 0.199E+02   -.579E+01 -.693E+01 -.198E+02   0.609E-02 0.330E-01 -.186E-01   -.183E-03 0.187E-04 0.320E-02
   0.112E+02 0.504E+01 0.184E+02   -.113E+02 -.504E+01 -.183E+02   0.245E-01 0.973E-02 -.535E-01   0.319E-03 -.965E-03 0.610E-03
   0.454E+01 -.102E+01 0.163E+02   -.456E+01 0.104E+01 -.163E+02   0.201E-01 -.166E-01 -.150E-02   0.842E-05 -.713E-03 -.137E-03
   -.292E+01 -.240E+01 0.150E+02   0.293E+01 0.241E+01 -.150E+02   -.150E-01 -.141E-01 -.100E-02   0.220E-03 0.447E-03 0.195E-02
   0.617E+00 0.373E+01 0.150E+02   -.623E+00 -.375E+01 -.150E+02   0.474E-02 0.200E-01 -.100E-02   -.282E-03 -.420E-03 0.194E-02
   0.273E+01 0.182E+02 0.247E+02   -.274E+01 -.183E+02 -.247E+02   0.867E-02 0.111E+00 -.572E-02   0.336E-03 -.141E-02 0.583E-03
   0.215E+02 0.226E+02 0.396E+02   -.216E+02 -.228E+02 -.396E+02   0.116E+00 0.229E+00 -.201E-01   -.129E-03 -.250E-03 -.786E-03
   0.265E+02 -.448E+01 0.268E+02   -.267E+02 0.460E+01 -.268E+02   0.236E+00 -.119E+00 -.595E-01   -.814E-04 0.333E-04 -.112E-02
   0.915E+01 -.529E+01 0.155E+02   -.917E+01 0.529E+01 -.155E+02   0.180E-01 -.104E-01 0.170E-02   -.962E-03 0.549E-03 0.663E-03
   0.315E+01 -.342E+01 0.163E+02   -.318E+01 0.343E+01 -.163E+02   0.244E-01 -.906E-02 -.150E-02   0.619E-03 0.345E-03 -.146E-03
   -.603E+01 0.132E+02 0.199E+02   0.604E+01 -.132E+02 -.199E+02   -.617E-02 0.744E-01 -.124E-01   0.794E-03 -.442E-03 -.443E-03
   -.122E+02 0.334E+02 0.459E+02   0.123E+02 -.341E+02 -.462E+02   -.923E-01 0.681E+00 0.344E+00   0.796E-03 -.177E-02 -.175E-02
   0.263E+02 -.152E+02 0.698E+02   -.273E+02 0.158E+02 -.719E+02   0.965E+00 -.557E+00 0.210E+01   -.171E-02 0.987E-03 -.516E-02
   0.171E+02 -.207E+02 0.268E+02   -.173E+02 0.208E+02 -.268E+02   0.221E+00 -.145E+00 -.595E-01   -.718E-04 0.462E-04 -.113E-02
   0.126E+01 -.123E+02 0.184E+02   -.127E+01 0.123E+02 -.183E+02   0.384E-02 -.261E-01 -.535E-01   0.999E-03 0.205E-03 0.604E-03
   -.387E+01 0.156E+01 0.144E+02   0.387E+01 -.156E+01 -.144E+02   -.652E-02 0.178E-02 -.415E-01   0.720E-03 0.838E-03 0.103E-02
   -.182E+02 0.105E+02 0.211E+02   0.182E+02 -.105E+02 -.210E+02   -.624E-01 0.360E-01 -.121E+00   0.227E-03 -.127E-03 -.114E-02
   -.351E+02 -.611E+01 0.459E+02   0.357E+02 0.637E+01 -.462E+02   -.636E+00 -.260E+00 0.344E+00   0.193E-02 0.194E-03 -.174E-02
   -.884E+01 -.299E+02 0.396E+02   0.898E+01 0.301E+02 -.396E+02   -.140E+00 -.215E+00 -.201E-01   0.156E-03 0.232E-03 -.788E-03
   -.307E+01 -.846E+01 0.199E+02   0.310E+01 0.848E+01 -.198E+02   -.255E-01 -.218E-01 -.186E-01   -.106E-03 0.147E-03 0.320E-02
   0.126E+01 -.730E+00 0.148E+02   -.126E+01 0.729E+00 -.147E+02   -.136E-02 0.785E-03 -.323E-01   0.192E-03 -.109E-03 0.318E-02
   -.328E+01 0.257E+01 0.144E+02   0.329E+01 -.257E+01 -.144E+02   -.480E-02 0.475E-02 -.415E-01   -.363E-03 -.104E-02 0.104E-02
   -.144E+02 -.136E+01 0.199E+02   0.145E+02 0.139E+01 -.199E+02   -.675E-01 -.319E-01 -.124E-01   0.781E-03 -.468E-03 -.435E-03
   -.144E+02 -.115E+02 0.247E+02   0.145E+02 0.115E+02 -.247E+02   -.921E-01 -.632E-01 -.572E-02   0.139E-02 0.411E-03 0.586E-03
   0.307E+01 0.846E+01 0.199E+02   -.310E+01 -.848E+01 -.198E+02   0.255E-01 0.218E-01 -.186E-01   0.106E-03 -.147E-03 0.320E-02
   0.144E+02 0.115E+02 0.247E+02   -.145E+02 -.115E+02 -.247E+02   0.921E-01 0.632E-01 -.572E-02   -.139E-02 -.411E-03 0.586E-03
   0.144E+02 0.136E+01 0.199E+02   -.145E+02 -.139E+01 -.199E+02   0.675E-01 0.319E-01 -.124E-01   -.781E-03 0.468E-03 -.435E-03
   0.328E+01 -.257E+01 0.144E+02   -.329E+01 0.257E+01 -.144E+02   0.480E-02 -.475E-02 -.415E-01   0.363E-03 0.104E-02 0.104E-02
   -.126E+01 0.730E+00 0.148E+02   0.126E+01 -.729E+00 -.147E+02   0.136E-02 -.785E-03 -.323E-01   -.192E-03 0.109E-03 0.318E-02
   -.126E+01 0.123E+02 0.184E+02   0.127E+01 -.123E+02 -.183E+02   -.384E-02 0.261E-01 -.535E-01   -.999E-03 -.205E-03 0.604E-03
   0.884E+01 0.299E+02 0.396E+02   -.898E+01 -.301E+02 -.396E+02   0.140E+00 0.215E+00 -.201E-01   -.156E-03 -.232E-03 -.788E-03
   0.351E+02 0.611E+01 0.459E+02   -.357E+02 -.637E+01 -.462E+02   0.636E+00 0.260E+00 0.344E+00   -.193E-02 -.194E-03 -.174E-02
   0.182E+02 -.105E+02 0.211E+02   -.182E+02 0.105E+02 -.210E+02   0.624E-01 -.360E-01 -.121E+00   -.227E-03 0.127E-03 -.114E-02
   0.387E+01 -.156E+01 0.144E+02   -.387E+01 0.156E+01 -.144E+02   0.652E-02 -.178E-02 -.415E-01   -.720E-03 -.838E-03 0.103E-02
   -.315E+01 0.342E+01 0.163E+02   0.318E+01 -.343E+01 -.163E+02   -.244E-01 0.906E-02 -.150E-02   -.619E-03 -.345E-03 -.146E-03
   -.171E+02 0.207E+02 0.268E+02   0.173E+02 -.208E+02 -.268E+02   -.221E+00 0.145E+00 -.595E-01   0.718E-04 -.463E-04 -.113E-02
   -.263E+02 0.152E+02 0.698E+02   0.273E+02 -.158E+02 -.719E+02   -.965E+00 0.557E+00 0.210E+01   0.171E-02 -.987E-03 -.516E-02
   0.122E+02 -.334E+02 0.459E+02   -.123E+02 0.341E+02 -.462E+02   0.923E-01 -.681E+00 0.344E+00   -.796E-03 0.177E-02 -.175E-02
   0.603E+01 -.132E+02 0.199E+02   -.604E+01 0.132E+02 -.199E+02   0.617E-02 -.744E-01 -.124E-01   -.794E-03 0.442E-03 -.443E-03
   -.618E+00 -.373E+01 0.150E+02   0.623E+00 0.375E+01 -.150E+02   -.474E-02 -.200E-01 -.100E-02   0.282E-03 0.420E-03 0.194E-02
   -.915E+01 0.529E+01 0.155E+02   0.917E+01 -.529E+01 -.155E+02   -.180E-01 0.104E-01 0.170E-02   0.962E-03 -.549E-03 0.663E-03
   -.265E+02 0.448E+01 0.268E+02   0.267E+02 -.460E+01 -.268E+02   -.236E+00 0.119E+00 -.595E-01   0.814E-04 -.333E-04 -.112E-02
   -.215E+02 -.226E+02 0.396E+02   0.216E+02 0.228E+02 -.396E+02   -.116E+00 -.229E+00 -.201E-01   0.129E-03 0.250E-03 -.786E-03
   -.273E+01 -.182E+02 0.247E+02   0.274E+01 0.183E+02 -.247E+02   -.867E-02 -.111E+00 -.572E-02   -.336E-03 0.141E-02 0.583E-03
   0.196E+01 -.113E+01 0.171E+02   -.197E+01 0.114E+01 -.171E+02   0.907E-02 -.524E-02 -.821E-02   -.502E-03 0.293E-03 0.410E-02
   0.292E+01 0.240E+01 0.150E+02   -.293E+01 -.241E+01 -.150E+02   0.150E-01 0.141E-01 -.100E-02   -.220E-03 -.447E-03 0.195E-02
   -.454E+01 0.102E+01 0.163E+02   0.456E+01 -.104E+01 -.163E+02   -.201E-01 0.166E-01 -.150E-02   -.840E-05 0.713E-03 -.137E-03
   -.112E+02 -.504E+01 0.184E+02   0.113E+02 0.504E+01 -.183E+02   -.245E-01 -.973E-02 -.535E-01   -.319E-03 0.965E-03 0.610E-03
   -.579E+01 -.689E+01 0.199E+02   0.579E+01 0.693E+01 -.198E+02   -.609E-02 -.330E-01 -.186E-01   0.183E-03 -.187E-04 0.320E-02
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.306E-03 0.865E+01   -.121E-12 -.165E-12 -.245E-12   -.161E-15 0.236E-15 -.869E+01   -.197E-07 0.102E-07 0.195E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85293      6.06065     12.33747         0.000000      0.000000     -0.005921
      2.26159      6.76846     13.65526         0.001653      0.002862      0.003015
      1.44428      5.35284     13.65526        -0.001653     -0.002862      0.003015
      0.00057     -0.00033      9.95696         0.000099     -0.000057     -0.004963
     11.11210      2.13933      9.95874        -0.000199     -0.000726     -0.002093
      9.87659      4.27879      9.97112        -0.000833      0.002153      0.000583
      8.64333      6.41808      9.97041        -0.000200      0.001372      0.000977
     -4.93610      8.55522      9.96557        -0.000056      0.001340     -0.001629
      2.47026     -0.00113      9.96557        -0.001189     -0.000621     -0.001629
      1.23474      2.13599      9.97073        -0.001225      0.002258      0.001855
     -0.00394      4.27473     10.00003        -0.002241      0.000261     -0.001794
     -1.23836      6.41581     10.00575        -0.000109     -0.000001     -0.000324
     -2.46701      8.55476      9.97832         0.001517     -0.000876     -0.000338
      4.93859      0.00127      9.97041        -0.001288     -0.000512      0.000977
      3.70485      2.13647      9.97866        -0.001621     -0.000458     -0.000815
      2.47069      4.26307     10.04325        -0.001032      0.000696     -0.000050
      1.22853      6.42115     10.11370        -0.002619      0.001512      0.013703
     -0.00030      8.56020     10.00575        -0.000054      0.000095     -0.000324
      7.40790      0.00288      9.97112        -0.002281     -0.000355      0.000583
      6.17333      2.14009      9.97122        -0.000632     -0.001248     -0.001126
      4.94023      4.27819      9.99947         0.002506     -0.001447      0.003823
      3.71856      6.42444     10.04325        -0.001118      0.000546     -0.000050
      2.47114      8.56170     10.00003        -0.001347      0.001810     -0.001794
      9.87848      0.00263      9.95874         0.000529      0.000535     -0.002093
      8.64259      2.14064      9.96184         0.000226     -0.000130     -0.003445
      7.40843      4.27935      9.97122         0.000765      0.001172     -0.001126
      6.17733      6.41893      9.97866        -0.000414      0.001632     -0.000815
      4.94269      8.55835      9.97073        -0.002568     -0.000068      0.001855
     -0.00041      1.42470      9.95874        -0.000529     -0.000535     -0.002093
     -1.23682      3.56295      9.97073         0.002568      0.000068      0.001855
     -2.47146      5.70236      9.97866         0.000414     -0.001632     -0.000815
     -3.70257      7.84194      9.97122        -0.000765     -0.001172     -0.001126
     -4.93672      9.98065      9.96184        -0.000226      0.000130     -0.003445
      2.47017      1.42445      9.97112         0.002281      0.000355      0.000583
      1.23472      3.55959     10.00003         0.001347     -0.001810     -0.001794
     -0.01270      5.69685     10.04325         0.001118     -0.000546     -0.000050
     -1.23437      7.84310      9.99947        -0.002506      0.001447      0.003823
     -2.46747      9.98120      9.97122         0.000632      0.001248     -0.001126
      4.93948      1.42606      9.97041         0.001288      0.000512      0.000977
      3.70616      3.56110     10.00575         0.000054     -0.000095     -0.000324
      2.47734      5.70015     10.11370         0.002619     -0.001512      0.013703
      1.23517      7.85822     10.04325         0.001032     -0.000696     -0.000050
      0.00102      9.98482      9.97866         0.001621      0.000458     -0.000815
      7.40782      1.42846      9.96557         0.001189      0.000621     -0.001629
      6.17287      3.56653      9.97832        -0.001517      0.000876     -0.000338
      4.94422      5.70548     10.00575         0.000109      0.000001     -0.000324
      3.70980      7.84656     10.00003         0.002241     -0.000261     -0.001794
      2.47112      9.98530      9.97073         0.001225     -0.002258      0.001855
      9.87750      1.42766      9.95696        -0.000099      0.000057     -0.004963
      8.64197      3.56607      9.96557         0.000056     -0.001340     -0.001629
      7.40988      5.70491      9.97041         0.000200     -0.001372      0.000977
      6.17661      7.84420      9.97112         0.000833     -0.002153      0.000583
      4.94111      9.98366      9.95874         0.000199      0.000726     -0.002093
 -----------------------------------------------------------------------------------
    total drift:                               -0.001813      0.000306     -0.020474


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


 Conjugate gradient step on ions:
 trial-energy change:   -0.000022  1 .order   -0.000021   -0.000024   -0.000018
  (g-gl).g = 0.734E-04      g.g   = 0.868E-04  gl.gl    = 0.131E-03
 g(Force)  = 0.665E-04   g(Stress)= 0.203E-04 ortho     =-0.102E-04
 gamma     =   0.55867
 trial     =   0.29580
 opt step  =   1.18321  (harmonic =   1.22168) maximal distance =0.00233253
 next E    =  -471.644941   (d E  =  -0.00005)


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


    WAVPRE:  VPU time    1.98: CPU time    1.98
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.36: CPU time    1.36
    ORTHCH:  VPU time  191.75: CPU time   96.00
     LOOP+:  VPU time 5480.64: CPU time 2811.16


----------------------------------------- Iteration   26(   1)  ---------------------------------------


    POTLOK:  VPU time    9.26: CPU time    9.20
    SETDIJ:  VPU time    0.34: CPU time    0.35
    EDDAV :  VPU time 1641.45: CPU time  844.16
 BZINTS: Fermi energy: -3.077388;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   90.76: CPU time   45.71
    MIXING:  VPU time    0.13: CPU time    0.12
    ------------------------------------------
      LOOP:  VPU time 1741.97: CPU time  899.58

 eigenvalue-minimisations  :  6080
 total energy-change (2. order) :-0.4716449E+03  (-0.2685958E-02)
 number of electron  212.0000031 magnetization    0.0000000
 augmentation part     7.9593530 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.36385E-02    rms(broyden)= 0.36374E-02
  rms(prec ) = 0.40085E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34032.10058437
  -1/2 Hartree   DENC   =    -40933.19508341
  -V(xc)+E(xc)   XCENC  =       726.60675913
  PAW double counting   =      4092.83059171    -4131.20415570
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2464.22349388
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64494418 eV

  energy without entropy =     -471.64494418  energy(sigma->0) =     -471.64494418


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




----------------------------------------- Iteration   26(   2)  ---------------------------------------


    POTLOK:  VPU time    7.76: CPU time    7.76
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1405.81: CPU time  718.26
 BZINTS: Fermi energy: -3.153404;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1413.92: CPU time  726.34

 eigenvalue-minimisations  :  5664
 total energy-change (2. order) : 0.7803334E-05  (-0.4499088E-04)
 number of electron  212.0000031 magnetization    0.0000000
 augmentation part     7.9593530 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34032.10058437
  -1/2 Hartree   DENC   =    -40932.85098293
  -V(xc)+E(xc)   XCENC  =       726.59707802
  PAW double counting   =      4092.52854349    -4130.90095751
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2464.55905541
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64493637 eV

  energy without entropy =     -471.64493637  energy(sigma->0) =     -471.64493637


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




 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 -58.5335       2 -39.9795       3 -39.9795       4 -58.2417       5 -58.2462
       6 -58.2535       7 -58.2438       8 -58.2425       9 -58.2425      10 -58.2582
      11 -58.3133      12 -58.2897      13 -58.2467      14 -58.2438      15 -58.2552
      16 -58.4347      17 -58.7283      18 -58.2897      19 -58.2535      20 -58.2476
      21 -58.2748      22 -58.4347      23 -58.3133      24 -58.2462      25 -58.2412
      26 -58.2476      27 -58.2552      28 -58.2582      29 -58.2461      30 -58.2581
      31 -58.2551      32 -58.2475      33 -58.2411      34 -58.2534      35 -58.3132
      36 -58.4346      37 -58.2747      38 -58.2475      39 -58.2436      40 -58.2896
      41 -58.7281      42 -58.4346      43 -58.2551      44 -58.2424      45 -58.2466
      46 -58.2896      47 -58.3132      48 -58.2581      49 -58.2416      50 -58.2424
      51 -58.2437      52 -58.2534      53 -58.2461
 
 
 
 E-fermi :  -3.1534     XC(G=0):  -2.3497     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     -22.3527      1.00000
      2     -21.5325      1.00000
      3     -21.4033      1.00000
      4     -21.4026      1.00000
      5     -21.3714      1.00000
      6     -21.3623      1.00000
      7     -21.3547      1.00000
      8     -19.6423      1.00000
      9     -19.5681      1.00000
     10     -19.5616      1.00000
     11     -19.5548      1.00000
     12     -19.5373      1.00000
     13     -19.5342      1.00000
     14     -18.7241      1.00000
     15     -18.6765      1.00000
     16     -18.6684      1.00000
     17     -18.6554      1.00000
     18     -18.6399      1.00000
     19     -18.6380      1.00000
     20     -16.5816      1.00000
     21     -16.5235      1.00000
     22     -16.5211      1.00000
     23     -16.5078      1.00000
     24     -16.4840      1.00000
     25     -16.4819      1.00000
     26     -15.5547      1.00000
     27     -15.5233      1.00000
     28     -15.5225      1.00000
     29     -15.4962      1.00000
     30     -15.4907      1.00000
     31     -15.4853      1.00000
     32     -14.2026      1.00000
     33     -14.1765      1.00000
     34     -14.1646      1.00000
     35     -14.1612      1.00000
     36     -14.1565      1.00000
     37     -14.1456      1.00000
     38     -11.8794      1.00000
     39     -11.8051      1.00000
     40     -11.7889      1.00000
     41     -11.7887      1.00000
     42     -11.7850      1.00000
     43     -11.7797      1.00000
     44     -11.7011      1.00000
     45     -11.6946      1.00000
     46     -11.6696      1.00000
     47     -11.6543      1.00000
     48     -11.6540      1.00000
     49     -11.6473      1.00000
     50     -10.6681      1.00000
     51     -10.3254      1.00000
     52     -10.3174      1.00000
     53     -10.3024      1.00000
     54     -10.3004      1.00000
     55     -10.2879      1.00000
     56     -10.2746      1.00000
     57      -9.9218      1.00000
     58      -9.3698      1.00000
     59      -9.3568      1.00000
     60      -9.2977      1.00000
     61      -9.2895      1.00000
     62      -9.2826      1.00000
     63      -9.0887      1.00000
     64      -9.0508      1.00000
     65      -9.0459      1.00000
     66      -9.0231      1.00000
     67      -9.0035      1.00000
     68      -8.9981      1.00000
     69      -8.9980      1.00000
     70      -8.9914      1.00000
     71      -8.9889      1.00000
     72      -8.9693      1.00000
     73      -8.9610      1.00000
     74      -8.9522      1.00000
     75      -8.4882      1.00000
     76      -7.5162      1.00000
     77      -7.4071      1.00000
     78      -7.4070      1.00000
     79      -7.3953      1.00000
     80      -7.3803      1.00000
     81      -7.3615      1.00000
     82      -7.3372      1.00000
     83      -7.3087      1.00000
     84      -7.2655      1.00000
     85      -7.2041      1.00000
     86      -7.1781      1.00000
     87      -7.1777      1.00000
     88      -7.0786      1.00000
     89      -6.5050      1.00000
     90      -6.4583      1.00000
     91      -6.3524      1.00000
     92      -6.2920      1.00000
     93      -6.2856      1.00000
     94      -6.2844      1.00000
     95      -5.8940      1.00000
     96      -5.8820      1.00000
     97      -5.0397      1.00000
     98      -4.9347      1.00000
     99      -4.5356      1.00000
    100      -4.3388      1.00000
    101      -4.3163      1.00000
    102      -4.3151      1.00000
    103      -4.1144      1.00000
    104      -3.9108      1.00000
    105      -3.8999      1.00000
    106      -3.8264      1.00000
    107      -1.6804      0.00000
    108      -1.6657      0.00000
    109      -1.5351      0.00000
    110      -1.5330      0.00000
    111      -1.5223      0.00000
    112      -1.5073      0.00000
    113      -0.5874      0.00000
    114       0.1354      0.00000
    115       0.2086      0.00000
    116       0.3260      0.00000
    117       0.3283      0.00000
    118       0.3354      0.00000
    119       0.4949      0.00000
    120       0.6038      0.00000
    121       1.2600      0.00000
    122       1.2777      0.00000
    123       1.5350      0.00000
    124       1.7578      0.00000
    125       1.8111      0.00000
    126       1.8149      0.00000
    127       1.8199      0.00000
    128       1.9480      0.00000
    129       1.9884      0.00000
    130       2.0330      0.00000
    131       2.0470      0.00000
    132       2.0524      0.00000
    133       2.0578      0.00000
    134       2.0637      0.00000
    135       2.3150      0.00000
    136       2.3196      0.00000
    137       2.6309      0.00000
    138       2.6402      0.00000
    139       2.6695      0.00000
    140       2.7208      0.00000
    141       2.8713      0.00000
    142       2.9948      0.00000
    143       3.0126      0.00000
    144       3.0416      0.00000
    145       3.0460      0.00000
    146       3.0464      0.00000
    147       3.0782      0.00000
    148       3.2393      0.00000
    149       3.4291      0.00000
    150       3.5439      0.00000
    151       3.7751      0.00000
    152       3.9388      0.00000
    153       3.9409      0.00000
    154       3.9478      0.00000
    155       3.9515      0.00000
    156       4.0007      0.00000
    157       4.1789      0.00000
    158       4.2619      0.00000
    159       4.2898      0.00000
    160       4.2907      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3160      1.00000
      2     -21.7575      1.00000
      3     -21.5668      1.00000
      4     -21.5342      1.00000
      5     -21.2040      1.00000
      6     -21.1593      1.00000
      7     -20.9835      1.00000
      8     -20.0980      1.00000
      9     -20.0540      1.00000
     10     -19.5427      1.00000
     11     -19.5181      1.00000
     12     -19.3455      1.00000
     13     -19.0211      1.00000
     14     -18.9861      1.00000
     15     -18.9777      1.00000
     16     -18.9657      1.00000
     17     -18.2939      1.00000
     18     -18.2747      1.00000
     19     -17.9485      1.00000
     20     -17.0058      1.00000
     21     -16.9563      1.00000
     22     -16.8751      1.00000
     23     -16.8658      1.00000
     24     -16.4015      1.00000
     25     -16.3871      1.00000
     26     -15.5480      1.00000
     27     -15.5325      1.00000
     28     -15.1939      1.00000
     29     -15.1656      1.00000
     30     -15.1112      1.00000
     31     -15.0245      1.00000
     32     -14.9994      1.00000
     33     -14.6327      1.00000
     34     -14.6210      1.00000
     35     -13.6639      1.00000
     36     -13.6486      1.00000
     37     -13.1662      1.00000
     38     -12.5476      1.00000
     39     -12.5146      1.00000
     40     -12.3874      1.00000
     41     -12.3744      1.00000
     42     -12.0537      1.00000
     43     -12.0310      1.00000
     44     -11.6554      1.00000
     45     -11.6137      1.00000
     46     -11.1769      1.00000
     47     -11.1539      1.00000
     48     -10.9610      1.00000
     49     -10.9372      1.00000
     50     -10.8694      1.00000
     51     -10.8339      1.00000
     52     -10.5983      1.00000
     53     -10.0897      1.00000
     54     -10.0851      1.00000
     55     -10.0424      1.00000
     56      -9.9670      1.00000
     57      -9.6506      1.00000
     58      -9.6259      1.00000
     59      -9.5890      1.00000
     60      -9.5264      1.00000
     61      -9.5077      1.00000
     62      -9.4765      1.00000
     63      -9.2607      1.00000
     64      -9.2376      1.00000
     65      -9.2176      1.00000
     66      -9.1631      1.00000
     67      -9.0656      1.00000
     68      -9.0435      1.00000
     69      -9.0377      1.00000
     70      -8.8798      1.00000
     71      -8.8030      1.00000
     72      -8.5722      1.00000
     73      -8.5193      1.00000
     74      -8.4536      1.00000
     75      -8.0320      1.00000
     76      -7.8081      1.00000
     77      -7.8043      1.00000
     78      -7.7893      1.00000
     79      -7.6973      1.00000
     80      -7.6873      1.00000
     81      -7.3671      1.00000
     82      -7.2702      1.00000
     83      -7.2617      1.00000
     84      -7.2153      1.00000
     85      -7.1711      1.00000
     86      -7.0072      1.00000
     87      -6.9442      1.00000
     88      -6.7435      1.00000
     89      -6.6699      1.00000
     90      -6.5923      1.00000
     91      -6.5572      1.00000
     92      -6.0473      1.00000
     93      -6.0441      1.00000
     94      -6.0191      1.00000
     95      -5.9562      1.00000
     96      -5.7341      1.00000
     97      -5.1499      1.00000
     98      -4.9867      1.00000
     99      -4.7160      1.00000
    100      -4.6090      1.00000
    101      -4.4373      1.00000
    102      -4.3719      1.00000
    103      -4.1199      1.00000
    104      -3.8664      1.00000
    105      -3.8270      1.00000
    106      -3.7890      1.00000
    107      -1.7831      0.00000
    108      -1.7371      0.00000
    109      -1.3934      0.00000
    110      -1.3441      0.00000
    111      -1.2636      0.00000
    112      -1.2242      0.00000
    113      -0.7449      0.00000
    114      -0.3789      0.00000
    115      -0.2187      0.00000
    116      -0.0191      0.00000
    117       0.5949      0.00000
    118       0.7404      0.00000
    119       0.7667      0.00000
    120       1.0514      0.00000
    121       1.1432      0.00000
    122       1.2517      0.00000
    123       1.2752      0.00000
    124       1.4183      0.00000
    125       1.4866      0.00000
    126       1.5946      0.00000
    127       1.7421      0.00000
    128       1.8387      0.00000
    129       1.8942      0.00000
    130       1.9618      0.00000
    131       2.0985      0.00000
    132       2.2484      0.00000
    133       2.2545      0.00000
    134       2.3080      0.00000
    135       2.4942      0.00000
    136       2.5891      0.00000
    137       2.6372      0.00000
    138       2.7734      0.00000
    139       2.7854      0.00000
    140       2.8159      0.00000
    141       2.8665      0.00000
    142       2.8871      0.00000
    143       2.9394      0.00000
    144       3.1007      0.00000
    145       3.2828      0.00000
    146       3.2964      0.00000
    147       3.3428      0.00000
    148       3.3702      0.00000
    149       3.4665      0.00000
    150       3.5678      0.00000
    151       3.6145      0.00000
    152       3.6680      0.00000
    153       3.7050      0.00000
    154       3.9093      0.00000
    155       3.9319      0.00000
    156       3.9861      0.00000
    157       4.0782      0.00000
    158       4.2010      0.00000
    159       4.2422      0.00000
    160       4.2969      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2103      1.00000
      2     -22.0042      1.00000
      3     -21.6455      1.00000
      4     -21.6086      1.00000
      5     -20.9093      1.00000
      6     -20.8630      1.00000
      7     -20.5420      1.00000
      8     -20.5027      1.00000
      9     -20.4924      1.00000
     10     -19.9600      1.00000
     11     -19.4388      1.00000
     12     -19.4118      1.00000
     13     -19.2381      1.00000
     14     -19.2238      1.00000
     15     -18.3804      1.00000
     16     -18.3365      1.00000
     17     -17.8566      1.00000
     18     -17.8357      1.00000
     19     -17.6942      1.00000
     20     -17.6519      1.00000
     21     -17.3687      1.00000
     22     -17.3529      1.00000
     23     -17.2709      1.00000
     24     -16.3980      1.00000
     25     -16.3834      1.00000
     26     -15.8930      1.00000
     27     -15.3490      1.00000
     28     -15.3338      1.00000
     29     -15.0313      1.00000
     30     -15.0175      1.00000
     31     -14.7960      1.00000
     32     -14.7715      1.00000
     33     -14.2187      1.00000
     34     -14.1865      1.00000
     35     -13.3677      1.00000
     36     -13.3340      1.00000
     37     -13.1164      1.00000
     38     -13.0991      1.00000
     39     -12.9126      1.00000
     40     -12.8993      1.00000
     41     -12.5533      1.00000
     42     -12.5355      1.00000
     43     -12.1298      1.00000
     44     -11.5179      1.00000
     45     -11.4705      1.00000
     46     -11.2498      1.00000
     47     -11.2165      1.00000
     48     -11.0761      1.00000
     49     -10.6541      1.00000
     50     -10.5859      1.00000
     51     -10.5195      1.00000
     52     -10.2542      1.00000
     53     -10.2458      1.00000
     54     -10.1197      1.00000
     55     -10.0457      1.00000
     56     -10.0382      1.00000
     57      -9.7660      1.00000
     58      -9.7016      1.00000
     59      -9.6770      1.00000
     60      -9.6274      1.00000
     61      -9.6229      1.00000
     62      -9.5853      1.00000
     63      -9.2909      1.00000
     64      -9.2818      1.00000
     65      -9.2499      1.00000
     66      -9.0823      1.00000
     67      -8.8937      1.00000
     68      -8.8800      1.00000
     69      -8.7222      1.00000
     70      -8.5847      1.00000
     71      -8.5110      1.00000
     72      -8.3281      1.00000
     73      -8.3000      1.00000
     74      -8.2610      1.00000
     75      -8.2300      1.00000
     76      -8.1918      1.00000
     77      -8.1831      1.00000
     78      -8.1676      1.00000
     79      -8.0953      1.00000
     80      -7.6860      1.00000
     81      -7.3588      1.00000
     82      -7.3080      1.00000
     83      -7.2634      1.00000
     84      -7.1846      1.00000
     85      -7.1242      1.00000
     86      -7.0751      1.00000
     87      -6.9047      1.00000
     88      -6.8805      1.00000
     89      -6.5462      1.00000
     90      -6.4895      1.00000
     91      -6.2067      1.00000
     92      -6.0665      1.00000
     93      -5.9389      1.00000
     94      -5.7113      1.00000
     95      -5.6307      1.00000
     96      -5.4498      1.00000
     97      -5.3022      1.00000
     98      -5.2318      1.00000
     99      -5.1499      1.00000
    100      -5.1495      1.00000
    101      -4.5183      1.00000
    102      -4.4692      1.00000
    103      -4.1397      1.00000
    104      -3.8302      1.00000
    105      -3.7552      1.00000
    106      -3.6787      1.00000
    107      -1.8689      0.00000
    108      -1.8225      0.00000
    109      -1.2764      0.00000
    110      -1.0341      0.00000
    111      -1.0105      0.00000
    112      -0.7116      0.00000
    113      -0.6381      0.00000
    114      -0.5868      0.00000
    115      -0.5444      0.00000
    116      -0.2046      0.00000
    117       0.2535      0.00000
    118       0.2802      0.00000
    119       0.7665      0.00000
    120       0.9489      0.00000
    121       1.1361      0.00000
    122       1.2317      0.00000
    123       1.3227      0.00000
    124       1.4150      0.00000
    125       1.6092      0.00000
    126       1.6364      0.00000
    127       1.7132      0.00000
    128       1.8144      0.00000
    129       1.9288      0.00000
    130       2.0260      0.00000
    131       2.0696      0.00000
    132       2.2887      0.00000
    133       2.3998      0.00000
    134       2.4429      0.00000
    135       2.5478      0.00000
    136       2.6395      0.00000
    137       2.7113      0.00000
    138       2.7802      0.00000
    139       2.8403      0.00000
    140       2.8848      0.00000
    141       3.0405      0.00000
    142       3.0988      0.00000
    143       3.1976      0.00000
    144       3.2429      0.00000
    145       3.3886      0.00000
    146       3.4277      0.00000
    147       3.4887      0.00000
    148       3.5733      0.00000
    149       3.6024      0.00000
    150       3.6302      0.00000
    151       3.6530      0.00000
    152       3.7378      0.00000
    153       3.7515      0.00000
    154       3.7644      0.00000
    155       3.7968      0.00000
    156       3.8938      0.00000
    157       3.9847      0.00000
    158       4.0076      0.00000
    159       4.1806      0.00000
    160       4.2213      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2442      1.00000
      2     -21.8899      1.00000
      3     -21.8194      1.00000
      4     -21.3080      1.00000
      5     -21.2778      1.00000
      6     -20.7668      1.00000
      7     -20.7009      1.00000
      8     -20.5525      1.00000
      9     -20.0055      1.00000
     10     -19.9975      1.00000
     11     -19.6443      1.00000
     12     -19.6199      1.00000
     13     -18.9262      1.00000
     14     -18.9171      1.00000
     15     -18.5673      1.00000
     16     -18.5531      1.00000
     17     -18.3902      1.00000
     18     -17.6111      1.00000
     19     -17.5550      1.00000
     20     -17.5500      1.00000
     21     -17.5085      1.00000
     22     -17.0526      1.00000
     23     -17.0345      1.00000
     24     -16.8886      1.00000
     25     -15.9268      1.00000
     26     -15.8634      1.00000
     27     -15.5124      1.00000
     28     -15.5124      1.00000
     29     -15.2245      1.00000
     30     -14.7913      1.00000
     31     -14.7637      1.00000
     32     -14.5115      1.00000
     33     -14.4676      1.00000
     34     -14.0982      1.00000
     35     -14.0873      1.00000
     36     -13.0733      1.00000
     37     -13.0291      1.00000
     38     -12.9630      1.00000
     39     -12.9512      1.00000
     40     -12.6420      1.00000
     41     -12.6347      1.00000
     42     -12.2704      1.00000
     43     -12.2391      1.00000
     44     -11.5835      1.00000
     45     -11.5572      1.00000
     46     -11.5028      1.00000
     47     -10.8999      1.00000
     48     -10.8475      1.00000
     49     -10.6161      1.00000
     50     -10.5559      1.00000
     51     -10.4818      1.00000
     52     -10.4303      1.00000
     53     -10.4205      1.00000
     54     -10.3679      1.00000
     55     -10.2899      1.00000
     56     -10.0617      1.00000
     57      -9.8306      1.00000
     58      -9.5442      1.00000
     59      -9.4846      1.00000
     60      -9.4657      1.00000
     61      -9.3427      1.00000
     62      -9.3273      1.00000
     63      -9.3070      1.00000
     64      -9.3050      1.00000
     65      -9.2115      1.00000
     66      -9.1087      1.00000
     67      -9.0771      1.00000
     68      -9.0464      1.00000
     69      -8.8434      1.00000
     70      -8.7893      1.00000
     71      -8.7710      1.00000
     72      -8.5245      1.00000
     73      -8.4719      1.00000
     74      -8.2169      1.00000
     75      -8.1064      1.00000
     76      -8.0962      1.00000
     77      -7.8037      1.00000
     78      -7.7797      1.00000
     79      -7.7788      1.00000
     80      -7.6705      1.00000
     81      -7.6287      1.00000
     82      -7.6271      1.00000
     83      -7.4023      1.00000
     84      -7.3221      1.00000
     85      -7.2052      1.00000
     86      -6.8362      1.00000
     87      -6.8262      1.00000
     88      -6.6574      1.00000
     89      -6.5368      1.00000
     90      -6.3412      1.00000
     91      -6.3047      1.00000
     92      -6.1819      1.00000
     93      -6.1442      1.00000
     94      -5.9754      1.00000
     95      -5.5699      1.00000
     96      -5.4235      1.00000
     97      -5.2565      1.00000
     98      -5.2440      1.00000
     99      -5.1467      1.00000
    100      -4.6933      1.00000
    101      -4.6634      1.00000
    102      -4.3483      1.00000
    103      -4.3114      1.00000
    104      -3.9623      1.00000
    105      -3.8228      1.00000
    106      -3.3888      1.00000
    107      -2.2181      0.00000
    108      -1.3747      0.00000
    109      -1.2855      0.00000
    110      -1.1718      0.00000
    111      -1.0767      0.00000
    112      -0.8922      0.00000
    113      -0.7669      0.00000
    114      -0.7556      0.00000
    115      -0.2211      0.00000
    116       0.1149      0.00000
    117       0.2651      0.00000
    118       0.3473      0.00000
    119       0.7410      0.00000
    120       0.9069      0.00000
    121       0.9742      0.00000
    122       1.0979      0.00000
    123       1.2118      0.00000
    124       1.5356      0.00000
    125       1.5762      0.00000
    126       1.7153      0.00000
    127       1.8400      0.00000
    128       1.8634      0.00000
    129       1.9455      0.00000
    130       2.0163      0.00000
    131       2.1467      0.00000
    132       2.2825      0.00000
    133       2.4131      0.00000
    134       2.4715      0.00000
    135       2.4715      0.00000
    136       2.6681      0.00000
    137       2.6867      0.00000
    138       2.7420      0.00000
    139       2.7453      0.00000
    140       2.8964      0.00000
    141       3.0318      0.00000
    142       3.0870      0.00000
    143       3.1659      0.00000
    144       3.2133      0.00000
    145       3.2492      0.00000
    146       3.2680      0.00000
    147       3.3575      0.00000
    148       3.4832      0.00000
    149       3.5425      0.00000
    150       3.7059      0.00000
    151       3.7531      0.00000
    152       3.7721      0.00000
    153       3.8233      0.00000
    154       3.8858      0.00000
    155       3.9539      0.00000
    156       3.9767      0.00000
    157       3.9994      0.00000
    158       4.0301      0.00000
    159       4.0345      0.00000
    160       4.0882      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1380      1.00000
      2     -22.0432      1.00000
      3     -21.8830      1.00000
      4     -21.3310      1.00000
      5     -20.9781      1.00000
      6     -20.9397      1.00000
      7     -20.4297      1.00000
      8     -20.3872      1.00000
      9     -20.2229      1.00000
     10     -20.2017      1.00000
     11     -19.8854      1.00000
     12     -19.8181      1.00000
     13     -18.8112      1.00000
     14     -18.7405      1.00000
     15     -18.2861      1.00000
     16     -18.2332      1.00000
     17     -18.0822      1.00000
     18     -18.0626      1.00000
     19     -17.7578      1.00000
     20     -17.7160      1.00000
     21     -17.1853      1.00000
     22     -17.1671      1.00000
     23     -17.0962      1.00000
     24     -17.0605      1.00000
     25     -16.0345      1.00000
     26     -15.8193      1.00000
     27     -15.7964      1.00000
     28     -15.7613      1.00000
     29     -15.1703      1.00000
     30     -14.4877      1.00000
     31     -14.4552      1.00000
     32     -14.2144      1.00000
     33     -13.8918      1.00000
     34     -13.8869      1.00000
     35     -13.7527      1.00000
     36     -13.7329      1.00000
     37     -13.5480      1.00000
     38     -13.5000      1.00000
     39     -13.2963      1.00000
     40     -12.5608      1.00000
     41     -12.1213      1.00000
     42     -12.0631      1.00000
     43     -12.0060      1.00000
     44     -11.9482      1.00000
     45     -11.6073      1.00000
     46     -11.5849      1.00000
     47     -11.0814      1.00000
     48     -11.0489      1.00000
     49     -10.7484      1.00000
     50     -10.6609      1.00000
     51     -10.5212      1.00000
     52     -10.1450      1.00000
     53     -10.1351      1.00000
     54     -10.0936      1.00000
     55      -9.9499      1.00000
     56      -9.9445      1.00000
     57      -9.9141      1.00000
     58      -9.7343      1.00000
     59      -9.7276      1.00000
     60      -9.6976      1.00000
     61      -9.6878      1.00000
     62      -9.4245      1.00000
     63      -9.3601      1.00000
     64      -9.0816      1.00000
     65      -9.0033      1.00000
     66      -8.9714      1.00000
     67      -8.8849      1.00000
     68      -8.8089      1.00000
     69      -8.6543      1.00000
     70      -8.6317      1.00000
     71      -8.5736      1.00000
     72      -8.4751      1.00000
     73      -8.4643      1.00000
     74      -8.3946      1.00000
     75      -8.3911      1.00000
     76      -8.1815      1.00000
     77      -8.1102      1.00000
     78      -7.9751      1.00000
     79      -7.9112      1.00000
     80      -7.8438      1.00000
     81      -7.6142      1.00000
     82      -7.5280      1.00000
     83      -7.4662      1.00000
     84      -7.2652      1.00000
     85      -6.9314      1.00000
     86      -6.8546      1.00000
     87      -6.8084      1.00000
     88      -6.5703      1.00000
     89      -6.4633      1.00000
     90      -6.4177      1.00000
     91      -6.3546      1.00000
     92      -6.0486      1.00000
     93      -5.8747      1.00000
     94      -5.7504      1.00000
     95      -5.7195      1.00000
     96      -5.4737      1.00000
     97      -5.3433      1.00000
     98      -5.1779      1.00000
     99      -5.1539      1.00000
    100      -5.1524      1.00000
    101      -4.7046      1.00000
    102      -4.4399      1.00000
    103      -4.2519      1.00000
    104      -3.9935      1.00000
    105      -3.8217      1.00000
    106      -3.1550      1.00000
    107      -2.4613      0.00000
    108      -1.3777      0.00000
    109      -1.2392      0.00000
    110      -1.1447      0.00000
    111      -1.1130      0.00000
    112      -0.5637      0.00000
    113      -0.4332      0.00000
    114      -0.4289      0.00000
    115      -0.3086      0.00000
    116      -0.1895      0.00000
    117       0.0635      0.00000
    118       0.1170      0.00000
    119       0.5418      0.00000
    120       0.6853      0.00000
    121       0.8770      0.00000
    122       0.9747      0.00000
    123       1.1165      0.00000
    124       1.5004      0.00000
    125       1.6680      0.00000
    126       1.8215      0.00000
    127       1.8847      0.00000
    128       2.0916      0.00000
    129       2.1073      0.00000
    130       2.1697      0.00000
    131       2.2166      0.00000
    132       2.3321      0.00000
    133       2.3420      0.00000
    134       2.4810      0.00000
    135       2.5635      0.00000
    136       2.6795      0.00000
    137       2.8865      0.00000
    138       2.9392      0.00000
    139       2.9712      0.00000
    140       2.9881      0.00000
    141       3.0417      0.00000
    142       3.1416      0.00000
    143       3.1590      0.00000
    144       3.2427      0.00000
    145       3.2982      0.00000
    146       3.3384      0.00000
    147       3.3530      0.00000
    148       3.3853      0.00000
    149       3.4127      0.00000
    150       3.5037      0.00000
    151       3.5540      0.00000
    152       3.6208      0.00000
    153       3.6554      0.00000
    154       3.6977      0.00000
    155       3.7173      0.00000
    156       3.9249      0.00000
    157       3.9338      0.00000
    158       4.0662      0.00000
    159       4.1041      0.00000
    160       4.2130      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2440      1.00000
      2     -21.8913      1.00000
      3     -21.8180      1.00000
      4     -21.3125      1.00000
      5     -21.2738      1.00000
      6     -20.7678      1.00000
      7     -20.6991      1.00000
      8     -20.5509      1.00000
      9     -20.0191      1.00000
     10     -19.9869      1.00000
     11     -19.6467      1.00000
     12     -19.6158      1.00000
     13     -18.9397      1.00000
     14     -18.9052      1.00000
     15     -18.5801      1.00000
     16     -18.5433      1.00000
     17     -18.3887      1.00000
     18     -17.5983      1.00000
     19     -17.5674      1.00000
     20     -17.5379      1.00000
     21     -17.5052      1.00000
     22     -17.0707      1.00000
     23     -17.0244      1.00000
     24     -16.8966      1.00000
     25     -15.9420      1.00000
     26     -15.8477      1.00000
     27     -15.5295      1.00000
     28     -15.5032      1.00000
     29     -15.2061      1.00000
     30     -14.8100      1.00000
     31     -14.7582      1.00000
     32     -14.5061      1.00000
     33     -14.4647      1.00000
     34     -14.0927      1.00000
     35     -14.0897      1.00000
     36     -13.1012      1.00000
     37     -13.0258      1.00000
     38     -12.9534      1.00000
     39     -12.9464      1.00000
     40     -12.6522      1.00000
     41     -12.6242      1.00000
     42     -12.2704      1.00000
     43     -12.2434      1.00000
     44     -11.5693      1.00000
     45     -11.5503      1.00000
     46     -11.4972      1.00000
     47     -10.8743      1.00000
     48     -10.8647      1.00000
     49     -10.6760      1.00000
     50     -10.5222      1.00000
     51     -10.5167      1.00000
     52     -10.4300      1.00000
     53     -10.4127      1.00000
     54     -10.3670      1.00000
     55     -10.2847      1.00000
     56     -10.0572      1.00000
     57      -9.8294      1.00000
     58      -9.5548      1.00000
     59      -9.4815      1.00000
     60      -9.4402      1.00000
     61      -9.3517      1.00000
     62      -9.3360      1.00000
     63      -9.3048      1.00000
     64      -9.2993      1.00000
     65      -9.2033      1.00000
     66      -9.0961      1.00000
     67      -9.0653      1.00000
     68      -9.0459      1.00000
     69      -8.8460      1.00000
     70      -8.7930      1.00000
     71      -8.7746      1.00000
     72      -8.5242      1.00000
     73      -8.4929      1.00000
     74      -8.2217      1.00000
     75      -8.1261      1.00000
     76      -8.0895      1.00000
     77      -7.8034      1.00000
     78      -7.7644      1.00000
     79      -7.7375      1.00000
     80      -7.6993      1.00000
     81      -7.6322      1.00000
     82      -7.6219      1.00000
     83      -7.3877      1.00000
     84      -7.3430      1.00000
     85      -7.2237      1.00000
     86      -6.8405      1.00000
     87      -6.8176      1.00000
     88      -6.6361      1.00000
     89      -6.5271      1.00000
     90      -6.3385      1.00000
     91      -6.2701      1.00000
     92      -6.1929      1.00000
     93      -6.1289      1.00000
     94      -6.0181      1.00000
     95      -5.6323      1.00000
     96      -5.5061      1.00000
     97      -5.2955      1.00000
     98      -5.1539      1.00000
     99      -5.0376      1.00000
    100      -4.7232      1.00000
    101      -4.6835      1.00000
    102      -4.3666      1.00000
    103      -4.1821      1.00000
    104      -4.0065      1.00000
    105      -3.8212      1.00000
    106      -3.4824      1.00000
    107      -2.1632      0.00000
    108      -1.3820      0.00000
    109      -1.2338      0.00000
    110      -1.1840      0.00000
    111      -1.0126      0.00000
    112      -0.9539      0.00000
    113      -0.7958      0.00000
    114      -0.7508      0.00000
    115      -0.3672      0.00000
    116       0.2471      0.00000
    117       0.2780      0.00000
    118       0.3650      0.00000
    119       0.7066      0.00000
    120       0.8704      0.00000
    121       0.9673      0.00000
    122       1.1304      0.00000
    123       1.2422      0.00000
    124       1.4585      0.00000
    125       1.5707      0.00000
    126       1.7827      0.00000
    127       1.8476      0.00000
    128       1.8728      0.00000
    129       1.9952      0.00000
    130       2.0322      0.00000
    131       2.1809      0.00000
    132       2.2253      0.00000
    133       2.4058      0.00000
    134       2.4136      0.00000
    135       2.5129      0.00000
    136       2.6606      0.00000
    137       2.6859      0.00000
    138       2.7371      0.00000
    139       2.7707      0.00000
    140       2.8628      0.00000
    141       2.9773      0.00000
    142       3.0838      0.00000
    143       3.1579      0.00000
    144       3.2084      0.00000
    145       3.2554      0.00000
    146       3.2875      0.00000
    147       3.3279      0.00000
    148       3.4840      0.00000
    149       3.5240      0.00000
    150       3.7102      0.00000
    151       3.7304      0.00000
    152       3.7721      0.00000
    153       3.8605      0.00000
    154       3.8722      0.00000
    155       3.8995      0.00000
    156       3.9699      0.00000
    157       4.0021      0.00000
    158       4.0324      0.00000
    159       4.0426      0.00000
    160       4.0888      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3160      1.00000
      2     -21.7578      1.00000
      3     -21.5641      1.00000
      4     -21.5372      1.00000
      5     -21.2012      1.00000
      6     -21.1627      1.00000
      7     -20.9822      1.00000
      8     -20.0949      1.00000
      9     -20.0565      1.00000
     10     -19.5427      1.00000
     11     -19.5226      1.00000
     12     -19.3415      1.00000
     13     -19.0244      1.00000
     14     -18.9848      1.00000
     15     -18.9739      1.00000
     16     -18.9684      1.00000
     17     -18.2924      1.00000
     18     -18.2790      1.00000
     19     -17.9431      1.00000
     20     -16.9970      1.00000
     21     -16.9568      1.00000
     22     -16.8791      1.00000
     23     -16.8665      1.00000
     24     -16.4124      1.00000
     25     -16.3899      1.00000
     26     -15.5373      1.00000
     27     -15.5341      1.00000
     28     -15.1698      1.00000
     29     -15.1682      1.00000
     30     -15.1274      1.00000
     31     -15.0330      1.00000
     32     -14.9975      1.00000
     33     -14.6299      1.00000
     34     -14.6231      1.00000
     35     -13.6593      1.00000
     36     -13.6497      1.00000
     37     -13.1677      1.00000
     38     -12.5694      1.00000
     39     -12.5098      1.00000
     40     -12.3822      1.00000
     41     -12.3816      1.00000
     42     -12.0322      1.00000
     43     -12.0284      1.00000
     44     -11.6511      1.00000
     45     -11.6111      1.00000
     46     -11.2024      1.00000
     47     -11.1535      1.00000
     48     -10.9515      1.00000
     49     -10.9390      1.00000
     50     -10.8569      1.00000
     51     -10.8248      1.00000
     52     -10.6199      1.00000
     53     -10.1422      1.00000
     54     -10.0808      1.00000
     55     -10.0219      1.00000
     56      -9.9424      1.00000
     57      -9.6279      1.00000
     58      -9.6262      1.00000
     59      -9.6003      1.00000
     60      -9.5373      1.00000
     61      -9.5004      1.00000
     62      -9.4764      1.00000
     63      -9.2686      1.00000
     64      -9.2322      1.00000
     65      -9.2043      1.00000
     66      -9.1759      1.00000
     67      -9.0599      1.00000
     68      -9.0437      1.00000
     69      -9.0404      1.00000
     70      -8.8744      1.00000
     71      -8.8050      1.00000
     72      -8.5305      1.00000
     73      -8.5295      1.00000
     74      -8.4941      1.00000
     75      -8.0281      1.00000
     76      -7.8292      1.00000
     77      -7.7959      1.00000
     78      -7.7716      1.00000
     79      -7.7003      1.00000
     80      -7.6811      1.00000
     81      -7.4179      1.00000
     82      -7.2844      1.00000
     83      -7.2483      1.00000
     84      -7.2006      1.00000
     85      -7.0786      1.00000
     86      -7.0769      1.00000
     87      -6.9353      1.00000
     88      -6.7082      1.00000
     89      -6.6714      1.00000
     90      -6.6272      1.00000
     91      -6.5555      1.00000
     92      -6.0686      1.00000
     93      -6.0286      1.00000
     94      -5.9983      1.00000
     95      -5.9352      1.00000
     96      -5.7969      1.00000
     97      -5.1764      1.00000
     98      -4.8914      1.00000
     99      -4.7910      1.00000
    100      -4.6092      1.00000
    101      -4.5109      1.00000
    102      -4.1376      1.00000
    103      -4.0893      1.00000
    104      -3.9290      1.00000
    105      -3.9145      1.00000
    106      -3.8205      1.00000
    107      -1.7505      0.00000
    108      -1.6949      0.00000
    109      -1.4088      0.00000
    110      -1.3692      0.00000
    111      -1.2631      0.00000
    112      -1.2339      0.00000
    113      -0.6249      0.00000
    114      -0.5968      0.00000
    115      -0.1883      0.00000
    116       0.0418      0.00000
    117       0.5899      0.00000
    118       0.7440      0.00000
    119       0.8504      0.00000
    120       0.9298      0.00000
    121       1.1691      0.00000
    122       1.2148      0.00000
    123       1.2486      0.00000
    124       1.4287      0.00000
    125       1.6000      0.00000
    126       1.6462      0.00000
    127       1.7135      0.00000
    128       1.7821      0.00000
    129       1.9200      0.00000
    130       1.9412      0.00000
    131       2.1465      0.00000
    132       2.1827      0.00000
    133       2.2630      0.00000
    134       2.3112      0.00000
    135       2.5519      0.00000
    136       2.5768      0.00000
    137       2.5962      0.00000
    138       2.7636      0.00000
    139       2.7926      0.00000
    140       2.8042      0.00000
    141       2.8952      0.00000
    142       2.9170      0.00000
    143       3.0211      0.00000
    144       3.0414      0.00000
    145       3.1048      0.00000
    146       3.2986      0.00000
    147       3.3268      0.00000
    148       3.3873      0.00000
    149       3.4770      0.00000
    150       3.5822      0.00000
    151       3.6423      0.00000
    152       3.6530      0.00000
    153       3.6799      0.00000
    154       3.8937      0.00000
    155       3.9717      0.00000
    156       4.0167      0.00000
    157       4.0831      0.00000
    158       4.2346      0.00000
    159       4.2569      0.00000
    160       4.2639      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1371      1.00000
      2     -22.0446      1.00000
      3     -21.8825      1.00000
      4     -21.3319      1.00000
      5     -20.9731      1.00000
      6     -20.9437      1.00000
      7     -20.4245      1.00000
      8     -20.3925      1.00000
      9     -20.2130      1.00000
     10     -20.2104      1.00000
     11     -19.8843      1.00000
     12     -19.8205      1.00000
     13     -18.8141      1.00000
     14     -18.7434      1.00000
     15     -18.2627      1.00000
     16     -18.2482      1.00000
     17     -18.0772      1.00000
     18     -18.0700      1.00000
     19     -17.7428      1.00000
     20     -17.7267      1.00000
     21     -17.1916      1.00000
     22     -17.1679      1.00000
     23     -17.0861      1.00000
     24     -17.0646      1.00000
     25     -16.0501      1.00000
     26     -15.8051      1.00000
     27     -15.7955      1.00000
     28     -15.7740      1.00000
     29     -15.1564      1.00000
     30     -14.4820      1.00000
     31     -14.4609      1.00000
     32     -14.2014      1.00000
     33     -13.9129      1.00000
     34     -13.8835      1.00000
     35     -13.7557      1.00000
     36     -13.7357      1.00000
     37     -13.5333      1.00000
     38     -13.5069      1.00000
     39     -13.2977      1.00000
     40     -12.5728      1.00000
     41     -12.0982      1.00000
     42     -12.0736      1.00000
     43     -11.9951      1.00000
     44     -11.9474      1.00000
     45     -11.6024      1.00000
     46     -11.5948      1.00000
     47     -11.0811      1.00000
     48     -11.0574      1.00000
     49     -10.7281      1.00000
     50     -10.6610      1.00000
     51     -10.5532      1.00000
     52     -10.1365      1.00000
     53     -10.1321      1.00000
     54     -10.0981      1.00000
     55      -9.9630      1.00000
     56      -9.9223      1.00000
     57      -9.9189      1.00000
     58      -9.7478      1.00000
     59      -9.7259      1.00000
     60      -9.6943      1.00000
     61      -9.6910      1.00000
     62      -9.3969      1.00000
     63      -9.3855      1.00000
     64      -9.0646      1.00000
     65      -8.9790      1.00000
     66      -8.9783      1.00000
     67      -8.9028      1.00000
     68      -8.8097      1.00000
     69      -8.6467      1.00000
     70      -8.6304      1.00000
     71      -8.5430      1.00000
     72      -8.4982      1.00000
     73      -8.4796      1.00000
     74      -8.3908      1.00000
     75      -8.3798      1.00000
     76      -8.2068      1.00000
     77      -8.0985      1.00000
     78      -8.0042      1.00000
     79      -7.8985      1.00000
     80      -7.8398      1.00000
     81      -7.6199      1.00000
     82      -7.5304      1.00000
     83      -7.4543      1.00000
     84      -7.2609      1.00000
     85      -6.9394      1.00000
     86      -6.8660      1.00000
     87      -6.8072      1.00000
     88      -6.4761      1.00000
     89      -6.4656      1.00000
     90      -6.4064      1.00000
     91      -6.3573      1.00000
     92      -6.1839      1.00000
     93      -5.8560      1.00000
     94      -5.7356      1.00000
     95      -5.7090      1.00000
     96      -5.5200      1.00000
     97      -5.3272      1.00000
     98      -5.1704      1.00000
     99      -5.1653      1.00000
    100      -5.1317      1.00000
    101      -4.6943      1.00000
    102      -4.3475      1.00000
    103      -4.2760      1.00000
    104      -4.0263      1.00000
    105      -3.8226      1.00000
    106      -3.2311      1.00000
    107      -2.4043      0.00000
    108      -1.3441      0.00000
    109      -1.2419      0.00000
    110      -1.1524      0.00000
    111      -1.1067      0.00000
    112      -0.5829      0.00000
    113      -0.5195      0.00000
    114      -0.4324      0.00000
    115      -0.2730      0.00000
    116      -0.0710      0.00000
    117      -0.0100      0.00000
    118       0.0613      0.00000
    119       0.5852      0.00000
    120       0.7117      0.00000
    121       0.8152      0.00000
    122       0.9494      0.00000
    123       1.1891      0.00000
    124       1.5226      0.00000
    125       1.6218      0.00000
    126       1.8727      0.00000
    127       2.0142      0.00000
    128       2.0531      0.00000
    129       2.0990      0.00000
    130       2.1264      0.00000
    131       2.2331      0.00000
    132       2.2871      0.00000
    133       2.3403      0.00000
    134       2.4309      0.00000
    135       2.6075      0.00000
    136       2.7091      0.00000
    137       2.8342      0.00000
    138       2.9162      0.00000
    139       2.9434      0.00000
    140       3.0078      0.00000
    141       3.0483      0.00000
    142       3.1287      0.00000
    143       3.1673      0.00000
    144       3.2183      0.00000
    145       3.3059      0.00000
    146       3.3151      0.00000
    147       3.3583      0.00000
    148       3.3780      0.00000
    149       3.4268      0.00000
    150       3.4460      0.00000
    151       3.5579      0.00000
    152       3.6069      0.00000
    153       3.6592      0.00000
    154       3.6982      0.00000
    155       3.8610      0.00000
    156       3.8998      0.00000
    157       3.9401      0.00000
    158       3.9611      0.00000
    159       4.1648      0.00000
    160       4.1960      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2100      1.00000
      2     -22.0048      1.00000
      3     -21.6427      1.00000
      4     -21.6118      1.00000
      5     -20.9062      1.00000
      6     -20.8659      1.00000
      7     -20.5357      1.00000
      8     -20.5033      1.00000
      9     -20.4966      1.00000
     10     -19.9591      1.00000
     11     -19.4376      1.00000
     12     -19.4155      1.00000
     13     -19.2365      1.00000
     14     -19.2296      1.00000
     15     -18.3728      1.00000
     16     -18.3381      1.00000
     17     -17.8555      1.00000
     18     -17.8395      1.00000
     19     -17.6880      1.00000
     20     -17.6526      1.00000
     21     -17.3689      1.00000
     22     -17.3549      1.00000
     23     -17.2646      1.00000
     24     -16.4099      1.00000
     25     -16.3867      1.00000
     26     -15.9011      1.00000
     27     -15.3402      1.00000
     28     -15.3354      1.00000
     29     -15.0277      1.00000
     30     -15.0182      1.00000
     31     -14.7737      1.00000
     32     -14.7714      1.00000
     33     -14.2343      1.00000
     34     -14.1838      1.00000
     35     -13.3844      1.00000
     36     -13.3302      1.00000
     37     -13.1078      1.00000
     38     -13.1000      1.00000
     39     -12.9142      1.00000
     40     -12.9087      1.00000
     41     -12.5422      1.00000
     42     -12.5348      1.00000
     43     -12.1304      1.00000
     44     -11.5101      1.00000
     45     -11.4660      1.00000
     46     -11.2411      1.00000
     47     -11.2098      1.00000
     48     -11.0831      1.00000
     49     -10.7000      1.00000
     50     -10.5920      1.00000
     51     -10.5055      1.00000
     52     -10.2484      1.00000
     53     -10.2444      1.00000
     54     -10.1186      1.00000
     55     -10.0506      1.00000
     56     -10.0363      1.00000
     57      -9.7811      1.00000
     58      -9.6839      1.00000
     59      -9.6708      1.00000
     60      -9.6346      1.00000
     61      -9.6248      1.00000
     62      -9.5835      1.00000
     63      -9.2923      1.00000
     64      -9.2805      1.00000
     65      -9.2494      1.00000
     66      -9.0595      1.00000
     67      -8.8919      1.00000
     68      -8.8810      1.00000
     69      -8.7163      1.00000
     70      -8.5767      1.00000
     71      -8.5226      1.00000
     72      -8.3478      1.00000
     73      -8.3024      1.00000
     74      -8.2407      1.00000
     75      -8.2353      1.00000
     76      -8.1914      1.00000
     77      -8.1791      1.00000
     78      -8.1661      1.00000
     79      -8.1019      1.00000
     80      -7.6869      1.00000
     81      -7.4228      1.00000
     82      -7.3401      1.00000
     83      -7.2567      1.00000
     84      -7.1660      1.00000
     85      -7.1081      1.00000
     86      -7.0040      1.00000
     87      -6.9014      1.00000
     88      -6.8469      1.00000
     89      -6.5390      1.00000
     90      -6.4956      1.00000
     91      -6.2064      1.00000
     92      -6.1986      1.00000
     93      -5.8928      1.00000
     94      -5.6711      1.00000
     95      -5.6040      1.00000
     96      -5.5782      1.00000
     97      -5.2513      1.00000
     98      -5.2295      1.00000
     99      -5.1627      1.00000
    100      -5.1326      1.00000
    101      -4.5985      1.00000
    102      -4.2463      1.00000
    103      -4.0427      1.00000
    104      -3.8826      1.00000
    105      -3.8361      1.00000
    106      -3.7977      1.00000
    107      -1.8066      0.00000
    108      -1.7798      0.00000
    109      -1.2243      0.00000
    110      -1.1734      0.00000
    111      -0.9724      0.00000
    112      -0.7333      0.00000
    113      -0.6482      0.00000
    114      -0.5925      0.00000
    115      -0.5478      0.00000
    116      -0.1548      0.00000
    117       0.1777      0.00000
    118       0.2896      0.00000
    119       0.7117      0.00000
    120       0.9544      0.00000
    121       1.1721      0.00000
    122       1.2789      0.00000
    123       1.3493      0.00000
    124       1.5204      0.00000
    125       1.6148      0.00000
    126       1.6344      0.00000
    127       1.6955      0.00000
    128       1.7726      0.00000
    129       1.8687      0.00000
    130       2.0458      0.00000
    131       2.1579      0.00000
    132       2.2906      0.00000
    133       2.4089      0.00000
    134       2.4198      0.00000
    135       2.5656      0.00000
    136       2.6340      0.00000
    137       2.6891      0.00000
    138       2.7026      0.00000
    139       2.7757      0.00000
    140       2.9060      0.00000
    141       3.0494      0.00000
    142       3.0693      0.00000
    143       3.1914      0.00000
    144       3.2850      0.00000
    145       3.3930      0.00000
    146       3.4150      0.00000
    147       3.4611      0.00000
    148       3.5407      0.00000
    149       3.5754      0.00000
    150       3.6386      0.00000
    151       3.6677      0.00000
    152       3.7029      0.00000
    153       3.7564      0.00000
    154       3.7574      0.00000
    155       3.8336      0.00000
    156       3.9041      0.00000
    157       3.9062      0.00000
    158       3.9736      0.00000
    159       4.1905      0.00000
    160       4.2315      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3527      1.00000
      2     -21.5325      1.00000
      3     -21.4033      1.00000
      4     -21.4026      1.00000
      5     -21.3714      1.00000
      6     -21.3623      1.00000
      7     -21.3547      1.00000
      8     -19.6423      1.00000
      9     -19.5681      1.00000
     10     -19.5616      1.00000
     11     -19.5548      1.00000
     12     -19.5373      1.00000
     13     -19.5342      1.00000
     14     -18.7241      1.00000
     15     -18.6765      1.00000
     16     -18.6684      1.00000
     17     -18.6554      1.00000
     18     -18.6399      1.00000
     19     -18.6380      1.00000
     20     -16.5816      1.00000
     21     -16.5235      1.00000
     22     -16.5211      1.00000
     23     -16.5078      1.00000
     24     -16.4840      1.00000
     25     -16.4819      1.00000
     26     -15.5547      1.00000
     27     -15.5233      1.00000
     28     -15.5225      1.00000
     29     -15.4962      1.00000
     30     -15.4907      1.00000
     31     -15.4853      1.00000
     32     -14.2026      1.00000
     33     -14.1765      1.00000
     34     -14.1646      1.00000
     35     -14.1612      1.00000
     36     -14.1565      1.00000
     37     -14.1456      1.00000
     38     -11.8794      1.00000
     39     -11.8051      1.00000
     40     -11.7889      1.00000
     41     -11.7887      1.00000
     42     -11.7850      1.00000
     43     -11.7797      1.00000
     44     -11.7011      1.00000
     45     -11.6946      1.00000
     46     -11.6696      1.00000
     47     -11.6543      1.00000
     48     -11.6540      1.00000
     49     -11.6473      1.00000
     50     -10.6681      1.00000
     51     -10.3254      1.00000
     52     -10.3174      1.00000
     53     -10.3024      1.00000
     54     -10.3004      1.00000
     55     -10.2879      1.00000
     56     -10.2746      1.00000
     57      -9.9218      1.00000
     58      -9.3698      1.00000
     59      -9.3568      1.00000
     60      -9.2977      1.00000
     61      -9.2895      1.00000
     62      -9.2826      1.00000
     63      -9.0887      1.00000
     64      -9.0508      1.00000
     65      -9.0459      1.00000
     66      -9.0231      1.00000
     67      -9.0035      1.00000
     68      -8.9981      1.00000
     69      -8.9980      1.00000
     70      -8.9914      1.00000
     71      -8.9889      1.00000
     72      -8.9693      1.00000
     73      -8.9610      1.00000
     74      -8.9522      1.00000
     75      -8.4882      1.00000
     76      -7.5162      1.00000
     77      -7.4071      1.00000
     78      -7.4070      1.00000
     79      -7.3953      1.00000
     80      -7.3803      1.00000
     81      -7.3615      1.00000
     82      -7.3372      1.00000
     83      -7.3087      1.00000
     84      -7.2655      1.00000
     85      -7.2041      1.00000
     86      -7.1781      1.00000
     87      -7.1777      1.00000
     88      -7.0786      1.00000
     89      -6.5050      1.00000
     90      -6.4583      1.00000
     91      -6.3524      1.00000
     92      -6.2920      1.00000
     93      -6.2856      1.00000
     94      -6.2844      1.00000
     95      -5.8940      1.00000
     96      -5.8820      1.00000
     97      -5.0397      1.00000
     98      -4.9347      1.00000
     99      -4.5356      1.00000
    100      -4.3388      1.00000
    101      -4.3163      1.00000
    102      -4.3151      1.00000
    103      -4.1144      1.00000
    104      -3.9108      1.00000
    105      -3.8999      1.00000
    106      -3.8264      1.00000
    107      -1.6804      0.00000
    108      -1.6657      0.00000
    109      -1.5351      0.00000
    110      -1.5330      0.00000
    111      -1.5223      0.00000
    112      -1.5073      0.00000
    113      -0.5874      0.00000
    114       0.1354      0.00000
    115       0.2086      0.00000
    116       0.3260      0.00000
    117       0.3283      0.00000
    118       0.3354      0.00000
    119       0.4949      0.00000
    120       0.6038      0.00000
    121       1.2600      0.00000
    122       1.2777      0.00000
    123       1.5350      0.00000
    124       1.7578      0.00000
    125       1.8111      0.00000
    126       1.8149      0.00000
    127       1.8199      0.00000
    128       1.9480      0.00000
    129       1.9884      0.00000
    130       2.0330      0.00000
    131       2.0470      0.00000
    132       2.0524      0.00000
    133       2.0578      0.00000
    134       2.0637      0.00000
    135       2.3150      0.00000
    136       2.3196      0.00000
    137       2.6309      0.00000
    138       2.6402      0.00000
    139       2.6695      0.00000
    140       2.7208      0.00000
    141       2.8713      0.00000
    142       2.9948      0.00000
    143       3.0126      0.00000
    144       3.0416      0.00000
    145       3.0460      0.00000
    146       3.0464      0.00000
    147       3.0782      0.00000
    148       3.2393      0.00000
    149       3.4291      0.00000
    150       3.5439      0.00000
    151       3.7751      0.00000
    152       3.9388      0.00000
    153       3.9409      0.00000
    154       3.9478      0.00000
    155       3.9515      0.00000
    156       4.0007      0.00000
    157       4.1789      0.00000
    158       4.2619      0.00000
    159       4.2898      0.00000
    160       4.2907      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3160      1.00000
      2     -21.7575      1.00000
      3     -21.5668      1.00000
      4     -21.5342      1.00000
      5     -21.2040      1.00000
      6     -21.1593      1.00000
      7     -20.9835      1.00000
      8     -20.0980      1.00000
      9     -20.0540      1.00000
     10     -19.5427      1.00000
     11     -19.5181      1.00000
     12     -19.3455      1.00000
     13     -19.0211      1.00000
     14     -18.9861      1.00000
     15     -18.9777      1.00000
     16     -18.9657      1.00000
     17     -18.2939      1.00000
     18     -18.2747      1.00000
     19     -17.9485      1.00000
     20     -17.0058      1.00000
     21     -16.9563      1.00000
     22     -16.8751      1.00000
     23     -16.8658      1.00000
     24     -16.4015      1.00000
     25     -16.3871      1.00000
     26     -15.5480      1.00000
     27     -15.5325      1.00000
     28     -15.1939      1.00000
     29     -15.1656      1.00000
     30     -15.1112      1.00000
     31     -15.0245      1.00000
     32     -14.9994      1.00000
     33     -14.6327      1.00000
     34     -14.6210      1.00000
     35     -13.6639      1.00000
     36     -13.6486      1.00000
     37     -13.1662      1.00000
     38     -12.5476      1.00000
     39     -12.5146      1.00000
     40     -12.3874      1.00000
     41     -12.3744      1.00000
     42     -12.0537      1.00000
     43     -12.0310      1.00000
     44     -11.6554      1.00000
     45     -11.6137      1.00000
     46     -11.1769      1.00000
     47     -11.1539      1.00000
     48     -10.9610      1.00000
     49     -10.9372      1.00000
     50     -10.8694      1.00000
     51     -10.8339      1.00000
     52     -10.5983      1.00000
     53     -10.0897      1.00000
     54     -10.0851      1.00000
     55     -10.0424      1.00000
     56      -9.9670      1.00000
     57      -9.6506      1.00000
     58      -9.6259      1.00000
     59      -9.5890      1.00000
     60      -9.5264      1.00000
     61      -9.5077      1.00000
     62      -9.4765      1.00000
     63      -9.2607      1.00000
     64      -9.2376      1.00000
     65      -9.2176      1.00000
     66      -9.1631      1.00000
     67      -9.0656      1.00000
     68      -9.0435      1.00000
     69      -9.0377      1.00000
     70      -8.8798      1.00000
     71      -8.8030      1.00000
     72      -8.5722      1.00000
     73      -8.5193      1.00000
     74      -8.4536      1.00000
     75      -8.0320      1.00000
     76      -7.8081      1.00000
     77      -7.8043      1.00000
     78      -7.7893      1.00000
     79      -7.6973      1.00000
     80      -7.6873      1.00000
     81      -7.3671      1.00000
     82      -7.2702      1.00000
     83      -7.2617      1.00000
     84      -7.2153      1.00000
     85      -7.1711      1.00000
     86      -7.0072      1.00000
     87      -6.9442      1.00000
     88      -6.7435      1.00000
     89      -6.6699      1.00000
     90      -6.5923      1.00000
     91      -6.5572      1.00000
     92      -6.0473      1.00000
     93      -6.0441      1.00000
     94      -6.0191      1.00000
     95      -5.9562      1.00000
     96      -5.7341      1.00000
     97      -5.1499      1.00000
     98      -4.9867      1.00000
     99      -4.7160      1.00000
    100      -4.6090      1.00000
    101      -4.4373      1.00000
    102      -4.3719      1.00000
    103      -4.1199      1.00000
    104      -3.8664      1.00000
    105      -3.8270      1.00000
    106      -3.7890      1.00000
    107      -1.7831      0.00000
    108      -1.7371      0.00000
    109      -1.3934      0.00000
    110      -1.3441      0.00000
    111      -1.2636      0.00000
    112      -1.2242      0.00000
    113      -0.7449      0.00000
    114      -0.3789      0.00000
    115      -0.2187      0.00000
    116      -0.0191      0.00000
    117       0.5949      0.00000
    118       0.7404      0.00000
    119       0.7667      0.00000
    120       1.0514      0.00000
    121       1.1432      0.00000
    122       1.2517      0.00000
    123       1.2752      0.00000
    124       1.4183      0.00000
    125       1.4866      0.00000
    126       1.5946      0.00000
    127       1.7421      0.00000
    128       1.8387      0.00000
    129       1.8942      0.00000
    130       1.9618      0.00000
    131       2.0985      0.00000
    132       2.2484      0.00000
    133       2.2546      0.00000
    134       2.3080      0.00000
    135       2.4942      0.00000
    136       2.5891      0.00000
    137       2.6372      0.00000
    138       2.7734      0.00000
    139       2.7854      0.00000
    140       2.8159      0.00000
    141       2.8665      0.00000
    142       2.8871      0.00000
    143       2.9394      0.00000
    144       3.1007      0.00000
    145       3.2827      0.00000
    146       3.2964      0.00000
    147       3.3428      0.00000
    148       3.3702      0.00000
    149       3.4665      0.00000
    150       3.5678      0.00000
    151       3.6145      0.00000
    152       3.6680      0.00000
    153       3.7050      0.00000
    154       3.9093      0.00000
    155       3.9319      0.00000
    156       3.9861      0.00000
    157       4.0782      0.00000
    158       4.2010      0.00000
    159       4.2422      0.00000
    160       4.2969      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2103      1.00000
      2     -22.0042      1.00000
      3     -21.6455      1.00000
      4     -21.6086      1.00000
      5     -20.9093      1.00000
      6     -20.8630      1.00000
      7     -20.5420      1.00000
      8     -20.5027      1.00000
      9     -20.4924      1.00000
     10     -19.9600      1.00000
     11     -19.4388      1.00000
     12     -19.4118      1.00000
     13     -19.2381      1.00000
     14     -19.2238      1.00000
     15     -18.3804      1.00000
     16     -18.3365      1.00000
     17     -17.8566      1.00000
     18     -17.8357      1.00000
     19     -17.6942      1.00000
     20     -17.6519      1.00000
     21     -17.3687      1.00000
     22     -17.3529      1.00000
     23     -17.2709      1.00000
     24     -16.3980      1.00000
     25     -16.3834      1.00000
     26     -15.8930      1.00000
     27     -15.3490      1.00000
     28     -15.3338      1.00000
     29     -15.0313      1.00000
     30     -15.0175      1.00000
     31     -14.7960      1.00000
     32     -14.7715      1.00000
     33     -14.2187      1.00000
     34     -14.1865      1.00000
     35     -13.3677      1.00000
     36     -13.3340      1.00000
     37     -13.1164      1.00000
     38     -13.0991      1.00000
     39     -12.9126      1.00000
     40     -12.8993      1.00000
     41     -12.5533      1.00000
     42     -12.5355      1.00000
     43     -12.1298      1.00000
     44     -11.5179      1.00000
     45     -11.4705      1.00000
     46     -11.2498      1.00000
     47     -11.2165      1.00000
     48     -11.0761      1.00000
     49     -10.6541      1.00000
     50     -10.5859      1.00000
     51     -10.5195      1.00000
     52     -10.2542      1.00000
     53     -10.2458      1.00000
     54     -10.1197      1.00000
     55     -10.0457      1.00000
     56     -10.0382      1.00000
     57      -9.7660      1.00000
     58      -9.7016      1.00000
     59      -9.6770      1.00000
     60      -9.6274      1.00000
     61      -9.6229      1.00000
     62      -9.5853      1.00000
     63      -9.2909      1.00000
     64      -9.2818      1.00000
     65      -9.2499      1.00000
     66      -9.0823      1.00000
     67      -8.8937      1.00000
     68      -8.8800      1.00000
     69      -8.7222      1.00000
     70      -8.5847      1.00000
     71      -8.5110      1.00000
     72      -8.3281      1.00000
     73      -8.3000      1.00000
     74      -8.2610      1.00000
     75      -8.2300      1.00000
     76      -8.1918      1.00000
     77      -8.1831      1.00000
     78      -8.1676      1.00000
     79      -8.0953      1.00000
     80      -7.6860      1.00000
     81      -7.3588      1.00000
     82      -7.3080      1.00000
     83      -7.2634      1.00000
     84      -7.1846      1.00000
     85      -7.1242      1.00000
     86      -7.0751      1.00000
     87      -6.9047      1.00000
     88      -6.8805      1.00000
     89      -6.5462      1.00000
     90      -6.4895      1.00000
     91      -6.2067      1.00000
     92      -6.0665      1.00000
     93      -5.9389      1.00000
     94      -5.7113      1.00000
     95      -5.6307      1.00000
     96      -5.4498      1.00000
     97      -5.3022      1.00000
     98      -5.2318      1.00000
     99      -5.1499      1.00000
    100      -5.1495      1.00000
    101      -4.5183      1.00000
    102      -4.4692      1.00000
    103      -4.1397      1.00000
    104      -3.8302      1.00000
    105      -3.7552      1.00000
    106      -3.6787      1.00000
    107      -1.8689      0.00000
    108      -1.8225      0.00000
    109      -1.2764      0.00000
    110      -1.0341      0.00000
    111      -1.0105      0.00000
    112      -0.7116      0.00000
    113      -0.6381      0.00000
    114      -0.5868      0.00000
    115      -0.5444      0.00000
    116      -0.2046      0.00000
    117       0.2535      0.00000
    118       0.2802      0.00000
    119       0.7665      0.00000
    120       0.9489      0.00000
    121       1.1361      0.00000
    122       1.2317      0.00000
    123       1.3227      0.00000
    124       1.4150      0.00000
    125       1.6092      0.00000
    126       1.6364      0.00000
    127       1.7132      0.00000
    128       1.8144      0.00000
    129       1.9288      0.00000
    130       2.0260      0.00000
    131       2.0696      0.00000
    132       2.2887      0.00000
    133       2.3998      0.00000
    134       2.4429      0.00000
    135       2.5478      0.00000
    136       2.6395      0.00000
    137       2.7113      0.00000
    138       2.7802      0.00000
    139       2.8403      0.00000
    140       2.8848      0.00000
    141       3.0405      0.00000
    142       3.0988      0.00000
    143       3.1976      0.00000
    144       3.2429      0.00000
    145       3.3886      0.00000
    146       3.4277      0.00000
    147       3.4887      0.00000
    148       3.5733      0.00000
    149       3.6024      0.00000
    150       3.6302      0.00000
    151       3.6530      0.00000
    152       3.7378      0.00000
    153       3.7515      0.00000
    154       3.7644      0.00000
    155       3.7968      0.00000
    156       3.8938      0.00000
    157       3.9847      0.00000
    158       4.0076      0.00000
    159       4.1806      0.00000
    160       4.2213      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2442      1.00000
      2     -21.8899      1.00000
      3     -21.8194      1.00000
      4     -21.3080      1.00000
      5     -21.2778      1.00000
      6     -20.7668      1.00000
      7     -20.7009      1.00000
      8     -20.5525      1.00000
      9     -20.0055      1.00000
     10     -19.9975      1.00000
     11     -19.6443      1.00000
     12     -19.6199      1.00000
     13     -18.9262      1.00000
     14     -18.9171      1.00000
     15     -18.5673      1.00000
     16     -18.5531      1.00000
     17     -18.3902      1.00000
     18     -17.6111      1.00000
     19     -17.5550      1.00000
     20     -17.5500      1.00000
     21     -17.5085      1.00000
     22     -17.0526      1.00000
     23     -17.0345      1.00000
     24     -16.8886      1.00000
     25     -15.9268      1.00000
     26     -15.8634      1.00000
     27     -15.5124      1.00000
     28     -15.5124      1.00000
     29     -15.2245      1.00000
     30     -14.7913      1.00000
     31     -14.7637      1.00000
     32     -14.5115      1.00000
     33     -14.4676      1.00000
     34     -14.0982      1.00000
     35     -14.0873      1.00000
     36     -13.0733      1.00000
     37     -13.0291      1.00000
     38     -12.9630      1.00000
     39     -12.9512      1.00000
     40     -12.6420      1.00000
     41     -12.6347      1.00000
     42     -12.2704      1.00000
     43     -12.2391      1.00000
     44     -11.5835      1.00000
     45     -11.5572      1.00000
     46     -11.5028      1.00000
     47     -10.8999      1.00000
     48     -10.8475      1.00000
     49     -10.6161      1.00000
     50     -10.5559      1.00000
     51     -10.4818      1.00000
     52     -10.4303      1.00000
     53     -10.4205      1.00000
     54     -10.3679      1.00000
     55     -10.2899      1.00000
     56     -10.0617      1.00000
     57      -9.8306      1.00000
     58      -9.5442      1.00000
     59      -9.4846      1.00000
     60      -9.4657      1.00000
     61      -9.3427      1.00000
     62      -9.3273      1.00000
     63      -9.3070      1.00000
     64      -9.3050      1.00000
     65      -9.2115      1.00000
     66      -9.1087      1.00000
     67      -9.0771      1.00000
     68      -9.0464      1.00000
     69      -8.8434      1.00000
     70      -8.7893      1.00000
     71      -8.7710      1.00000
     72      -8.5245      1.00000
     73      -8.4719      1.00000
     74      -8.2169      1.00000
     75      -8.1064      1.00000
     76      -8.0962      1.00000
     77      -7.8037      1.00000
     78      -7.7797      1.00000
     79      -7.7788      1.00000
     80      -7.6705      1.00000
     81      -7.6287      1.00000
     82      -7.6271      1.00000
     83      -7.4023      1.00000
     84      -7.3221      1.00000
     85      -7.2052      1.00000
     86      -6.8362      1.00000
     87      -6.8262      1.00000
     88      -6.6574      1.00000
     89      -6.5368      1.00000
     90      -6.3412      1.00000
     91      -6.3047      1.00000
     92      -6.1819      1.00000
     93      -6.1442      1.00000
     94      -5.9754      1.00000
     95      -5.5699      1.00000
     96      -5.4235      1.00000
     97      -5.2565      1.00000
     98      -5.2440      1.00000
     99      -5.1467      1.00000
    100      -4.6933      1.00000
    101      -4.6634      1.00000
    102      -4.3483      1.00000
    103      -4.3114      1.00000
    104      -3.9623      1.00000
    105      -3.8228      1.00000
    106      -3.3888      1.00000
    107      -2.2181      0.00000
    108      -1.3747      0.00000
    109      -1.2855      0.00000
    110      -1.1718      0.00000
    111      -1.0767      0.00000
    112      -0.8922      0.00000
    113      -0.7669      0.00000
    114      -0.7556      0.00000
    115      -0.2211      0.00000
    116       0.1149      0.00000
    117       0.2651      0.00000
    118       0.3473      0.00000
    119       0.7410      0.00000
    120       0.9069      0.00000
    121       0.9742      0.00000
    122       1.0979      0.00000
    123       1.2118      0.00000
    124       1.5356      0.00000
    125       1.5762      0.00000
    126       1.7153      0.00000
    127       1.8400      0.00000
    128       1.8634      0.00000
    129       1.9455      0.00000
    130       2.0162      0.00000
    131       2.1468      0.00000
    132       2.2825      0.00000
    133       2.4131      0.00000
    134       2.4715      0.00000
    135       2.4715      0.00000
    136       2.6681      0.00000
    137       2.6867      0.00000
    138       2.7420      0.00000
    139       2.7453      0.00000
    140       2.8964      0.00000
    141       3.0318      0.00000
    142       3.0870      0.00000
    143       3.1659      0.00000
    144       3.2133      0.00000
    145       3.2492      0.00000
    146       3.2680      0.00000
    147       3.3575      0.00000
    148       3.4832      0.00000
    149       3.5425      0.00000
    150       3.7059      0.00000
    151       3.7531      0.00000
    152       3.7721      0.00000
    153       3.8233      0.00000
    154       3.8858      0.00000
    155       3.9539      0.00000
    156       3.9767      0.00000
    157       3.9994      0.00000
    158       4.0301      0.00000
    159       4.0345      0.00000
    160       4.0882      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1380      1.00000
      2     -22.0432      1.00000
      3     -21.8830      1.00000
      4     -21.3310      1.00000
      5     -20.9781      1.00000
      6     -20.9397      1.00000
      7     -20.4297      1.00000
      8     -20.3872      1.00000
      9     -20.2229      1.00000
     10     -20.2017      1.00000
     11     -19.8854      1.00000
     12     -19.8181      1.00000
     13     -18.8112      1.00000
     14     -18.7405      1.00000
     15     -18.2861      1.00000
     16     -18.2332      1.00000
     17     -18.0822      1.00000
     18     -18.0626      1.00000
     19     -17.7578      1.00000
     20     -17.7160      1.00000
     21     -17.1853      1.00000
     22     -17.1671      1.00000
     23     -17.0962      1.00000
     24     -17.0605      1.00000
     25     -16.0345      1.00000
     26     -15.8193      1.00000
     27     -15.7964      1.00000
     28     -15.7613      1.00000
     29     -15.1703      1.00000
     30     -14.4877      1.00000
     31     -14.4552      1.00000
     32     -14.2144      1.00000
     33     -13.8918      1.00000
     34     -13.8869      1.00000
     35     -13.7527      1.00000
     36     -13.7329      1.00000
     37     -13.5480      1.00000
     38     -13.5000      1.00000
     39     -13.2963      1.00000
     40     -12.5608      1.00000
     41     -12.1213      1.00000
     42     -12.0631      1.00000
     43     -12.0060      1.00000
     44     -11.9482      1.00000
     45     -11.6073      1.00000
     46     -11.5849      1.00000
     47     -11.0814      1.00000
     48     -11.0489      1.00000
     49     -10.7484      1.00000
     50     -10.6609      1.00000
     51     -10.5212      1.00000
     52     -10.1450      1.00000
     53     -10.1351      1.00000
     54     -10.0936      1.00000
     55      -9.9499      1.00000
     56      -9.9445      1.00000
     57      -9.9141      1.00000
     58      -9.7343      1.00000
     59      -9.7276      1.00000
     60      -9.6976      1.00000
     61      -9.6878      1.00000
     62      -9.4245      1.00000
     63      -9.3601      1.00000
     64      -9.0816      1.00000
     65      -9.0033      1.00000
     66      -8.9714      1.00000
     67      -8.8849      1.00000
     68      -8.8089      1.00000
     69      -8.6543      1.00000
     70      -8.6317      1.00000
     71      -8.5736      1.00000
     72      -8.4751      1.00000
     73      -8.4643      1.00000
     74      -8.3946      1.00000
     75      -8.3911      1.00000
     76      -8.1815      1.00000
     77      -8.1102      1.00000
     78      -7.9751      1.00000
     79      -7.9112      1.00000
     80      -7.8438      1.00000
     81      -7.6142      1.00000
     82      -7.5280      1.00000
     83      -7.4662      1.00000
     84      -7.2652      1.00000
     85      -6.9314      1.00000
     86      -6.8546      1.00000
     87      -6.8084      1.00000
     88      -6.5703      1.00000
     89      -6.4633      1.00000
     90      -6.4177      1.00000
     91      -6.3546      1.00000
     92      -6.0486      1.00000
     93      -5.8747      1.00000
     94      -5.7504      1.00000
     95      -5.7195      1.00000
     96      -5.4737      1.00000
     97      -5.3433      1.00000
     98      -5.1779      1.00000
     99      -5.1539      1.00000
    100      -5.1524      1.00000
    101      -4.7046      1.00000
    102      -4.4399      1.00000
    103      -4.2519      1.00000
    104      -3.9935      1.00000
    105      -3.8217      1.00000
    106      -3.1550      1.00000
    107      -2.4613      0.00000
    108      -1.3777      0.00000
    109      -1.2392      0.00000
    110      -1.1447      0.00000
    111      -1.1130      0.00000
    112      -0.5637      0.00000
    113      -0.4332      0.00000
    114      -0.4289      0.00000
    115      -0.3086      0.00000
    116      -0.1895      0.00000
    117       0.0635      0.00000
    118       0.1170      0.00000
    119       0.5418      0.00000
    120       0.6853      0.00000
    121       0.8770      0.00000
    122       0.9747      0.00000
    123       1.1165      0.00000
    124       1.5004      0.00000
    125       1.6680      0.00000
    126       1.8215      0.00000
    127       1.8847      0.00000
    128       2.0916      0.00000
    129       2.1073      0.00000
    130       2.1697      0.00000
    131       2.2166      0.00000
    132       2.3321      0.00000
    133       2.3420      0.00000
    134       2.4810      0.00000
    135       2.5635      0.00000
    136       2.6795      0.00000
    137       2.8865      0.00000
    138       2.9392      0.00000
    139       2.9712      0.00000
    140       2.9881      0.00000
    141       3.0417      0.00000
    142       3.1416      0.00000
    143       3.1590      0.00000
    144       3.2427      0.00000
    145       3.2982      0.00000
    146       3.3384      0.00000
    147       3.3530      0.00000
    148       3.3853      0.00000
    149       3.4127      0.00000
    150       3.5037      0.00000
    151       3.5540      0.00000
    152       3.6208      0.00000
    153       3.6554      0.00000
    154       3.6977      0.00000
    155       3.7173      0.00000
    156       3.9249      0.00000
    157       3.9338      0.00000
    158       4.0662      0.00000
    159       4.1041      0.00000
    160       4.2130      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2440      1.00000
      2     -21.8913      1.00000
      3     -21.8180      1.00000
      4     -21.3125      1.00000
      5     -21.2738      1.00000
      6     -20.7678      1.00000
      7     -20.6991      1.00000
      8     -20.5509      1.00000
      9     -20.0191      1.00000
     10     -19.9869      1.00000
     11     -19.6467      1.00000
     12     -19.6158      1.00000
     13     -18.9397      1.00000
     14     -18.9052      1.00000
     15     -18.5801      1.00000
     16     -18.5433      1.00000
     17     -18.3887      1.00000
     18     -17.5983      1.00000
     19     -17.5674      1.00000
     20     -17.5379      1.00000
     21     -17.5052      1.00000
     22     -17.0707      1.00000
     23     -17.0244      1.00000
     24     -16.8966      1.00000
     25     -15.9420      1.00000
     26     -15.8477      1.00000
     27     -15.5295      1.00000
     28     -15.5032      1.00000
     29     -15.2061      1.00000
     30     -14.8100      1.00000
     31     -14.7582      1.00000
     32     -14.5061      1.00000
     33     -14.4647      1.00000
     34     -14.0927      1.00000
     35     -14.0897      1.00000
     36     -13.1012      1.00000
     37     -13.0258      1.00000
     38     -12.9534      1.00000
     39     -12.9464      1.00000
     40     -12.6522      1.00000
     41     -12.6242      1.00000
     42     -12.2704      1.00000
     43     -12.2434      1.00000
     44     -11.5693      1.00000
     45     -11.5503      1.00000
     46     -11.4972      1.00000
     47     -10.8743      1.00000
     48     -10.8647      1.00000
     49     -10.6760      1.00000
     50     -10.5222      1.00000
     51     -10.5167      1.00000
     52     -10.4300      1.00000
     53     -10.4127      1.00000
     54     -10.3670      1.00000
     55     -10.2847      1.00000
     56     -10.0572      1.00000
     57      -9.8294      1.00000
     58      -9.5548      1.00000
     59      -9.4815      1.00000
     60      -9.4402      1.00000
     61      -9.3517      1.00000
     62      -9.3360      1.00000
     63      -9.3048      1.00000
     64      -9.2993      1.00000
     65      -9.2033      1.00000
     66      -9.0961      1.00000
     67      -9.0653      1.00000
     68      -9.0459      1.00000
     69      -8.8460      1.00000
     70      -8.7930      1.00000
     71      -8.7746      1.00000
     72      -8.5242      1.00000
     73      -8.4929      1.00000
     74      -8.2217      1.00000
     75      -8.1261      1.00000
     76      -8.0895      1.00000
     77      -7.8034      1.00000
     78      -7.7644      1.00000
     79      -7.7375      1.00000
     80      -7.6993      1.00000
     81      -7.6322      1.00000
     82      -7.6219      1.00000
     83      -7.3877      1.00000
     84      -7.3430      1.00000
     85      -7.2237      1.00000
     86      -6.8405      1.00000
     87      -6.8176      1.00000
     88      -6.6361      1.00000
     89      -6.5271      1.00000
     90      -6.3385      1.00000
     91      -6.2701      1.00000
     92      -6.1929      1.00000
     93      -6.1289      1.00000
     94      -6.0181      1.00000
     95      -5.6323      1.00000
     96      -5.5061      1.00000
     97      -5.2955      1.00000
     98      -5.1539      1.00000
     99      -5.0376      1.00000
    100      -4.7232      1.00000
    101      -4.6835      1.00000
    102      -4.3666      1.00000
    103      -4.1821      1.00000
    104      -4.0065      1.00000
    105      -3.8212      1.00000
    106      -3.4824      1.00000
    107      -2.1632      0.00000
    108      -1.3820      0.00000
    109      -1.2338      0.00000
    110      -1.1840      0.00000
    111      -1.0126      0.00000
    112      -0.9539      0.00000
    113      -0.7958      0.00000
    114      -0.7508      0.00000
    115      -0.3672      0.00000
    116       0.2471      0.00000
    117       0.2780      0.00000
    118       0.3650      0.00000
    119       0.7066      0.00000
    120       0.8704      0.00000
    121       0.9673      0.00000
    122       1.1304      0.00000
    123       1.2422      0.00000
    124       1.4585      0.00000
    125       1.5707      0.00000
    126       1.7827      0.00000
    127       1.8476      0.00000
    128       1.8728      0.00000
    129       1.9952      0.00000
    130       2.0322      0.00000
    131       2.1809      0.00000
    132       2.2253      0.00000
    133       2.4058      0.00000
    134       2.4136      0.00000
    135       2.5129      0.00000
    136       2.6606      0.00000
    137       2.6859      0.00000
    138       2.7371      0.00000
    139       2.7707      0.00000
    140       2.8628      0.00000
    141       2.9773      0.00000
    142       3.0838      0.00000
    143       3.1579      0.00000
    144       3.2084      0.00000
    145       3.2554      0.00000
    146       3.2875      0.00000
    147       3.3279      0.00000
    148       3.4840      0.00000
    149       3.5240      0.00000
    150       3.7102      0.00000
    151       3.7304      0.00000
    152       3.7721      0.00000
    153       3.8605      0.00000
    154       3.8722      0.00000
    155       3.8995      0.00000
    156       3.9699      0.00000
    157       4.0021      0.00000
    158       4.0324      0.00000
    159       4.0426      0.00000
    160       4.0888      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3160      1.00000
      2     -21.7578      1.00000
      3     -21.5641      1.00000
      4     -21.5372      1.00000
      5     -21.2012      1.00000
      6     -21.1627      1.00000
      7     -20.9822      1.00000
      8     -20.0949      1.00000
      9     -20.0565      1.00000
     10     -19.5427      1.00000
     11     -19.5226      1.00000
     12     -19.3415      1.00000
     13     -19.0244      1.00000
     14     -18.9848      1.00000
     15     -18.9739      1.00000
     16     -18.9684      1.00000
     17     -18.2924      1.00000
     18     -18.2790      1.00000
     19     -17.9431      1.00000
     20     -16.9970      1.00000
     21     -16.9568      1.00000
     22     -16.8791      1.00000
     23     -16.8665      1.00000
     24     -16.4124      1.00000
     25     -16.3899      1.00000
     26     -15.5373      1.00000
     27     -15.5341      1.00000
     28     -15.1698      1.00000
     29     -15.1682      1.00000
     30     -15.1274      1.00000
     31     -15.0330      1.00000
     32     -14.9975      1.00000
     33     -14.6299      1.00000
     34     -14.6231      1.00000
     35     -13.6593      1.00000
     36     -13.6497      1.00000
     37     -13.1677      1.00000
     38     -12.5694      1.00000
     39     -12.5098      1.00000
     40     -12.3822      1.00000
     41     -12.3816      1.00000
     42     -12.0322      1.00000
     43     -12.0284      1.00000
     44     -11.6511      1.00000
     45     -11.6111      1.00000
     46     -11.2024      1.00000
     47     -11.1535      1.00000
     48     -10.9515      1.00000
     49     -10.9390      1.00000
     50     -10.8569      1.00000
     51     -10.8248      1.00000
     52     -10.6199      1.00000
     53     -10.1422      1.00000
     54     -10.0808      1.00000
     55     -10.0219      1.00000
     56      -9.9424      1.00000
     57      -9.6279      1.00000
     58      -9.6262      1.00000
     59      -9.6003      1.00000
     60      -9.5373      1.00000
     61      -9.5004      1.00000
     62      -9.4764      1.00000
     63      -9.2686      1.00000
     64      -9.2322      1.00000
     65      -9.2043      1.00000
     66      -9.1759      1.00000
     67      -9.0599      1.00000
     68      -9.0437      1.00000
     69      -9.0404      1.00000
     70      -8.8744      1.00000
     71      -8.8050      1.00000
     72      -8.5305      1.00000
     73      -8.5295      1.00000
     74      -8.4941      1.00000
     75      -8.0281      1.00000
     76      -7.8292      1.00000
     77      -7.7959      1.00000
     78      -7.7716      1.00000
     79      -7.7003      1.00000
     80      -7.6811      1.00000
     81      -7.4179      1.00000
     82      -7.2844      1.00000
     83      -7.2483      1.00000
     84      -7.2006      1.00000
     85      -7.0786      1.00000
     86      -7.0769      1.00000
     87      -6.9353      1.00000
     88      -6.7082      1.00000
     89      -6.6714      1.00000
     90      -6.6272      1.00000
     91      -6.5555      1.00000
     92      -6.0686      1.00000
     93      -6.0286      1.00000
     94      -5.9983      1.00000
     95      -5.9352      1.00000
     96      -5.7969      1.00000
     97      -5.1764      1.00000
     98      -4.8914      1.00000
     99      -4.7910      1.00000
    100      -4.6092      1.00000
    101      -4.5109      1.00000
    102      -4.1376      1.00000
    103      -4.0893      1.00000
    104      -3.9290      1.00000
    105      -3.9145      1.00000
    106      -3.8205      1.00000
    107      -1.7505      0.00000
    108      -1.6949      0.00000
    109      -1.4088      0.00000
    110      -1.3692      0.00000
    111      -1.2631      0.00000
    112      -1.2339      0.00000
    113      -0.6249      0.00000
    114      -0.5968      0.00000
    115      -0.1883      0.00000
    116       0.0418      0.00000
    117       0.5899      0.00000
    118       0.7440      0.00000
    119       0.8504      0.00000
    120       0.9298      0.00000
    121       1.1691      0.00000
    122       1.2148      0.00000
    123       1.2486      0.00000
    124       1.4287      0.00000
    125       1.6000      0.00000
    126       1.6462      0.00000
    127       1.7135      0.00000
    128       1.7821      0.00000
    129       1.9200      0.00000
    130       1.9412      0.00000
    131       2.1465      0.00000
    132       2.1827      0.00000
    133       2.2631      0.00000
    134       2.3112      0.00000
    135       2.5519      0.00000
    136       2.5768      0.00000
    137       2.5962      0.00000
    138       2.7636      0.00000
    139       2.7926      0.00000
    140       2.8042      0.00000
    141       2.8952      0.00000
    142       2.9170      0.00000
    143       3.0211      0.00000
    144       3.0414      0.00000
    145       3.1048      0.00000
    146       3.2986      0.00000
    147       3.3268      0.00000
    148       3.3873      0.00000
    149       3.4770      0.00000
    150       3.5822      0.00000
    151       3.6423      0.00000
    152       3.6530      0.00000
    153       3.6799      0.00000
    154       3.8937      0.00000
    155       3.9717      0.00000
    156       4.0167      0.00000
    157       4.0831      0.00000
    158       4.2346      0.00000
    159       4.2569      0.00000
    160       4.2639      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1371      1.00000
      2     -22.0446      1.00000
      3     -21.8825      1.00000
      4     -21.3319      1.00000
      5     -20.9731      1.00000
      6     -20.9437      1.00000
      7     -20.4245      1.00000
      8     -20.3925      1.00000
      9     -20.2130      1.00000
     10     -20.2104      1.00000
     11     -19.8843      1.00000
     12     -19.8205      1.00000
     13     -18.8141      1.00000
     14     -18.7434      1.00000
     15     -18.2627      1.00000
     16     -18.2482      1.00000
     17     -18.0772      1.00000
     18     -18.0700      1.00000
     19     -17.7428      1.00000
     20     -17.7267      1.00000
     21     -17.1916      1.00000
     22     -17.1679      1.00000
     23     -17.0861      1.00000
     24     -17.0646      1.00000
     25     -16.0501      1.00000
     26     -15.8051      1.00000
     27     -15.7955      1.00000
     28     -15.7740      1.00000
     29     -15.1564      1.00000
     30     -14.4820      1.00000
     31     -14.4609      1.00000
     32     -14.2014      1.00000
     33     -13.9129      1.00000
     34     -13.8835      1.00000
     35     -13.7557      1.00000
     36     -13.7357      1.00000
     37     -13.5333      1.00000
     38     -13.5069      1.00000
     39     -13.2977      1.00000
     40     -12.5728      1.00000
     41     -12.0982      1.00000
     42     -12.0736      1.00000
     43     -11.9951      1.00000
     44     -11.9474      1.00000
     45     -11.6024      1.00000
     46     -11.5948      1.00000
     47     -11.0811      1.00000
     48     -11.0574      1.00000
     49     -10.7281      1.00000
     50     -10.6610      1.00000
     51     -10.5532      1.00000
     52     -10.1365      1.00000
     53     -10.1321      1.00000
     54     -10.0981      1.00000
     55      -9.9630      1.00000
     56      -9.9223      1.00000
     57      -9.9189      1.00000
     58      -9.7478      1.00000
     59      -9.7259      1.00000
     60      -9.6943      1.00000
     61      -9.6910      1.00000
     62      -9.3969      1.00000
     63      -9.3855      1.00000
     64      -9.0646      1.00000
     65      -8.9790      1.00000
     66      -8.9783      1.00000
     67      -8.9028      1.00000
     68      -8.8097      1.00000
     69      -8.6467      1.00000
     70      -8.6304      1.00000
     71      -8.5430      1.00000
     72      -8.4982      1.00000
     73      -8.4796      1.00000
     74      -8.3908      1.00000
     75      -8.3798      1.00000
     76      -8.2068      1.00000
     77      -8.0985      1.00000
     78      -8.0042      1.00000
     79      -7.8985      1.00000
     80      -7.8398      1.00000
     81      -7.6199      1.00000
     82      -7.5304      1.00000
     83      -7.4543      1.00000
     84      -7.2609      1.00000
     85      -6.9394      1.00000
     86      -6.8660      1.00000
     87      -6.8072      1.00000
     88      -6.4761      1.00000
     89      -6.4656      1.00000
     90      -6.4064      1.00000
     91      -6.3573      1.00000
     92      -6.1839      1.00000
     93      -5.8560      1.00000
     94      -5.7356      1.00000
     95      -5.7090      1.00000
     96      -5.5200      1.00000
     97      -5.3272      1.00000
     98      -5.1704      1.00000
     99      -5.1653      1.00000
    100      -5.1317      1.00000
    101      -4.6943      1.00000
    102      -4.3475      1.00000
    103      -4.2760      1.00000
    104      -4.0263      1.00000
    105      -3.8226      1.00000
    106      -3.2311      1.00000
    107      -2.4043      0.00000
    108      -1.3441      0.00000
    109      -1.2419      0.00000
    110      -1.1524      0.00000
    111      -1.1067      0.00000
    112      -0.5829      0.00000
    113      -0.5195      0.00000
    114      -0.4324      0.00000
    115      -0.2730      0.00000
    116      -0.0710      0.00000
    117      -0.0100      0.00000
    118       0.0613      0.00000
    119       0.5852      0.00000
    120       0.7117      0.00000
    121       0.8152      0.00000
    122       0.9494      0.00000
    123       1.1891      0.00000
    124       1.5226      0.00000
    125       1.6218      0.00000
    126       1.8727      0.00000
    127       2.0142      0.00000
    128       2.0531      0.00000
    129       2.0990      0.00000
    130       2.1264      0.00000
    131       2.2331      0.00000
    132       2.2871      0.00000
    133       2.3403      0.00000
    134       2.4309      0.00000
    135       2.6075      0.00000
    136       2.7091      0.00000
    137       2.8342      0.00000
    138       2.9162      0.00000
    139       2.9434      0.00000
    140       3.0078      0.00000
    141       3.0483      0.00000
    142       3.1287      0.00000
    143       3.1673      0.00000
    144       3.2183      0.00000
    145       3.3059      0.00000
    146       3.3151      0.00000
    147       3.3583      0.00000
    148       3.3780      0.00000
    149       3.4268      0.00000
    150       3.4460      0.00000
    151       3.5579      0.00000
    152       3.6069      0.00000
    153       3.6592      0.00000
    154       3.6982      0.00000
    155       3.8610      0.00000
    156       3.8998      0.00000
    157       3.9401      0.00000
    158       3.9612      0.00000
    159       4.1648      0.00000
    160       4.1960      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2100      1.00000
      2     -22.0048      1.00000
      3     -21.6427      1.00000
      4     -21.6118      1.00000
      5     -20.9062      1.00000
      6     -20.8659      1.00000
      7     -20.5357      1.00000
      8     -20.5033      1.00000
      9     -20.4966      1.00000
     10     -19.9591      1.00000
     11     -19.4376      1.00000
     12     -19.4155      1.00000
     13     -19.2365      1.00000
     14     -19.2296      1.00000
     15     -18.3728      1.00000
     16     -18.3381      1.00000
     17     -17.8555      1.00000
     18     -17.8395      1.00000
     19     -17.6880      1.00000
     20     -17.6526      1.00000
     21     -17.3689      1.00000
     22     -17.3549      1.00000
     23     -17.2646      1.00000
     24     -16.4099      1.00000
     25     -16.3867      1.00000
     26     -15.9011      1.00000
     27     -15.3402      1.00000
     28     -15.3354      1.00000
     29     -15.0277      1.00000
     30     -15.0182      1.00000
     31     -14.7737      1.00000
     32     -14.7714      1.00000
     33     -14.2343      1.00000
     34     -14.1838      1.00000
     35     -13.3844      1.00000
     36     -13.3302      1.00000
     37     -13.1078      1.00000
     38     -13.1000      1.00000
     39     -12.9142      1.00000
     40     -12.9087      1.00000
     41     -12.5422      1.00000
     42     -12.5348      1.00000
     43     -12.1304      1.00000
     44     -11.5101      1.00000
     45     -11.4660      1.00000
     46     -11.2411      1.00000
     47     -11.2098      1.00000
     48     -11.0831      1.00000
     49     -10.7000      1.00000
     50     -10.5920      1.00000
     51     -10.5055      1.00000
     52     -10.2484      1.00000
     53     -10.2444      1.00000
     54     -10.1186      1.00000
     55     -10.0506      1.00000
     56     -10.0363      1.00000
     57      -9.7811      1.00000
     58      -9.6839      1.00000
     59      -9.6708      1.00000
     60      -9.6346      1.00000
     61      -9.6248      1.00000
     62      -9.5835      1.00000
     63      -9.2923      1.00000
     64      -9.2805      1.00000
     65      -9.2494      1.00000
     66      -9.0595      1.00000
     67      -8.8919      1.00000
     68      -8.8810      1.00000
     69      -8.7163      1.00000
     70      -8.5767      1.00000
     71      -8.5226      1.00000
     72      -8.3478      1.00000
     73      -8.3024      1.00000
     74      -8.2407      1.00000
     75      -8.2353      1.00000
     76      -8.1914      1.00000
     77      -8.1791      1.00000
     78      -8.1661      1.00000
     79      -8.1019      1.00000
     80      -7.6869      1.00000
     81      -7.4228      1.00000
     82      -7.3401      1.00000
     83      -7.2567      1.00000
     84      -7.1660      1.00000
     85      -7.1081      1.00000
     86      -7.0040      1.00000
     87      -6.9014      1.00000
     88      -6.8469      1.00000
     89      -6.5390      1.00000
     90      -6.4956      1.00000
     91      -6.2064      1.00000
     92      -6.1986      1.00000
     93      -5.8928      1.00000
     94      -5.6711      1.00000
     95      -5.6040      1.00000
     96      -5.5782      1.00000
     97      -5.2513      1.00000
     98      -5.2295      1.00000
     99      -5.1627      1.00000
    100      -5.1326      1.00000
    101      -4.5985      1.00000
    102      -4.2463      1.00000
    103      -4.0427      1.00000
    104      -3.8826      1.00000
    105      -3.8361      1.00000
    106      -3.7977      1.00000
    107      -1.8066      0.00000
    108      -1.7798      0.00000
    109      -1.2243      0.00000
    110      -1.1734      0.00000
    111      -0.9724      0.00000
    112      -0.7333      0.00000
    113      -0.6482      0.00000
    114      -0.5925      0.00000
    115      -0.5478      0.00000
    116      -0.1548      0.00000
    117       0.1777      0.00000
    118       0.2896      0.00000
    119       0.7117      0.00000
    120       0.9544      0.00000
    121       1.1721      0.00000
    122       1.2789      0.00000
    123       1.3493      0.00000
    124       1.5204      0.00000
    125       1.6148      0.00000
    126       1.6344      0.00000
    127       1.6955      0.00000
    128       1.7726      0.00000
    129       1.8687      0.00000
    130       2.0458      0.00000
    131       2.1579      0.00000
    132       2.2906      0.00000
    133       2.4089      0.00000
    134       2.4198      0.00000
    135       2.5656      0.00000
    136       2.6340      0.00000
    137       2.6891      0.00000
    138       2.7026      0.00000
    139       2.7757      0.00000
    140       2.9060      0.00000
    141       3.0494      0.00000
    142       3.0693      0.00000
    143       3.1914      0.00000
    144       3.2850      0.00000
    145       3.3930      0.00000
    146       3.4150      0.00000
    147       3.4611      0.00000
    148       3.5407      0.00000
    149       3.5754      0.00000
    150       3.6386      0.00000
    151       3.6677      0.00000
    152       3.7029      0.00000
    153       3.7564      0.00000
    154       3.7574      0.00000
    155       3.8336      0.00000
    156       3.9041      0.00000
    157       3.9062      0.00000
    158       3.9736      0.00000
    159       4.1904      0.00000
    160       4.2315      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0407   -7.2572    3.9836   -1.1309   -0.1847   17.3732    0.4928   -0.8150    0.7706   -0.4756
x    -3.1262   -0.0251   -0.0204   -0.0266    0.0916   -3.0543    0.0301   -0.0244    0.0083    0.0018
x    -0.0953   -0.0029    0.0036   -0.0031    0.0021   -0.0242    0.0000    0.0000   -0.0001    0.0001
x    -0.0035   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0407    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0035    0.0000    0.0004    0.0007    0.0027   -0.0985   -0.0312    0.0617    0.0184
y     0.0228   -3.2425   -0.1796    0.1695   -2.4139   -0.6653
z   204.0407    1.7371    0.2875    0.0906   -0.0015    0.0776   -0.0019    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1044    0.0015   -0.0009   -0.0001    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0013   -0.0001    0.0001    0.0000
z    -0.0001    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  -16.6855
z     0.1426    0.2289   -0.0327    0.0570   -0.0904    0.0006
 total charge-density along one line
x   212.0000  -10.0876    5.9299   -1.9397   -0.4203   19.2922   -0.6569    0.2077    0.0651   -0.1047
x    -2.7069   -0.0088    0.0021   -0.0458    0.0976   -2.3457    0.0476   -0.0343    0.0116    0.0024
x    -0.0853   -0.0056    0.0083   -0.0079    0.0053   -0.0374    0.0000   -0.0001    0.0004   -0.0004
x    -0.0054    0.0000   -0.0002    0.0001    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  -10.0876    5.9299   -1.9397   -0.4203   19.2922   -0.6569    0.2077    0.0651   -0.1047
y    -2.7069   -0.0088    0.0021   -0.0458    0.0976   -2.3457    0.0476   -0.0343    0.0116    0.0024
y    -0.0853   -0.0056    0.0083   -0.0079    0.0053   -0.0374    0.0000   -0.0001    0.0004   -0.0004
y    -0.0054    0.0000   -0.0002    0.0001    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 -205.2924  188.8356 -170.1320  154.0845 -140.4455  126.5578 -111.0634   94.7626  -79.0672
z    64.6820  -51.7439   40.5236  -31.4977   24.7980  -19.8804   15.8738  -12.2134    8.8999   -6.2146
z     4.2882   -2.9591    1.9616   -1.1533    0.5441   -0.1602   -0.0586    0.2217   -0.3860    0.5205
z    -0.5676    0.5218   -0.4378    0.3750   -0.3477    0.3297   -0.2950    0.2447   -0.1971    0.1640
z    -0.1413    0.1193   -0.0954    0.0744   -0.0608    0.0532   -0.0467    0.0389   -0.0312    0.0257
z    -0.0226    0.0202   -0.0173    0.0140   -0.0113    0.0093   -0.0075    0.0058   -0.0043    0.0031
z    -0.0022    0.0013   -0.0004   -0.0002    0.0004   -0.0004    0.0005   -0.0008    0.0009   -0.0007
z     0.0004   -0.0002    0.0001   -0.0001    0.0000    0.0002   -0.0003    0.0003   -0.0003    0.0003
z    -0.0003    0.0003   -0.0002    0.0002   -0.0002    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001
z     0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 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
-10.938   0.000   0.041   0.000   0.003   0.199   0.000  -0.006
  0.000 -11.267   0.000  -0.102   0.000   0.000   0.239   0.000
  0.041   0.000 -11.242   0.000  -0.024  -0.006   0.000   0.237
  0.000  -0.102   0.000 -11.150   0.000   0.000   0.012   0.000
  0.003   0.000  -0.024   0.000 -10.936   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.237   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.225   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.198   0.000   0.000   0.000
  0.036   0.000   0.100   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.002
  0.000   0.003   0.000  -0.026   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.938   0.000   0.041   0.000   0.003   0.199   0.000  -0.006
  0.000 -11.267   0.000  -0.102   0.000   0.000   0.239   0.000
  0.041   0.000 -11.242   0.000  -0.024  -0.006   0.000   0.237
  0.000  -0.102   0.000 -11.150   0.000   0.000   0.012   0.000
  0.003   0.000  -0.024   0.000 -10.936   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.237   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.225   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.198   0.000   0.000   0.000
  0.036   0.000   0.100   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.002
  0.000   0.003   0.000  -0.026   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.960   0.000  -0.027   0.000   0.002   0.022   0.000   0.058   0.000  -0.014  -0.027   0.025   0.000   0.000   0.000   0.000
  0.000   1.585   0.000  -0.148   0.000   0.000   0.595   0.000   0.262   0.000   0.000   0.000   0.161   0.000   0.107  -0.035
 -0.027   0.000   1.790   0.000   0.019   0.044   0.000   0.352   0.000  -0.027  -0.231  -0.042   0.000   0.096   0.000   0.000
  0.000  -0.148   0.000   1.756   0.000   0.000   0.262   0.000   0.293   0.000   0.000   0.000   0.109   0.000   0.039   0.005
  0.002   0.000   0.019   0.000   1.966  -0.014   0.000  -0.036   0.000   0.004   0.011  -0.015   0.000   0.003   0.000   0.000
  0.022   0.000   0.044   0.000  -0.014   0.064   0.000   0.102   0.000  -0.025   0.195  -0.053   0.000   0.116   0.000   0.000
  0.000   0.595   0.000   0.262   0.000   0.000   0.330   0.000   0.108   0.000   0.000   0.000   0.058   0.000   0.066  -0.011
  0.058   0.000   0.352   0.000  -0.036   0.102   0.000   0.557   0.000  -0.058   0.698  -0.290   0.000   0.088   0.000   0.000
  0.000   0.262   0.000   0.293   0.000   0.000   0.108   0.000   0.205   0.000   0.000   0.000   0.065   0.000  -0.019  -0.006
 -0.014   0.000  -0.027   0.000   0.004  -0.025   0.000  -0.058   0.000   0.036  -0.111   0.031   0.000  -0.068   0.000   0.000
 -0.027   0.000  -0.231   0.000   0.011   0.195   0.000   0.698   0.000  -0.111   1.352  -0.432   0.000   0.268   0.000   0.000
  0.025   0.000  -0.042   0.000  -0.015  -0.053   0.000  -0.290   0.000   0.031  -0.432   0.191   0.000  -0.034   0.000   0.000
  0.000   0.161   0.000   0.109   0.000   0.000   0.058   0.000   0.065   0.000   0.000   0.000   0.044   0.000   0.012  -0.004
  0.000   0.000   0.096   0.000   0.003   0.116   0.000   0.088   0.000  -0.068   0.268  -0.034   0.000   0.307   0.000   0.000
  0.000   0.107   0.000   0.039   0.000   0.000   0.066   0.000  -0.019   0.000   0.000   0.000   0.012   0.000   0.031  -0.002
  0.000  -0.035   0.000   0.005   0.000   0.000  -0.011   0.000  -0.006   0.000   0.000   0.000  -0.004   0.000  -0.002   0.001
  0.002   0.000  -0.037   0.000  -0.001  -0.005   0.000  -0.009   0.000   0.003  -0.006   0.000   0.000  -0.014   0.000   0.000
  0.000   0.005   0.000  -0.041   0.000   0.000  -0.006   0.000  -0.004   0.000   0.000   0.000  -0.002   0.000  -0.002   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        0.639   0.275   8.027   8.941
  2        0.514   0.028   0.000   0.542
  3        0.514   0.028   0.000   0.542
  4        0.864   1.783   0.000   2.646
  5        0.864   1.782   0.000   2.646
  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   2.647
  9        0.864   1.783   0.000   2.646
 10        0.864   1.784   0.000   2.647
 11        0.863   1.782   0.000   2.646
 12        0.864   1.784   0.000   2.648
 13        0.864   1.782   0.000   2.646
 14        0.864   1.784   0.000   2.647
 15        0.864   1.784   0.000   2.648
 16        0.863   1.777   0.000   2.640
 17        0.856   1.772   0.000   2.629
 18        0.864   1.784   0.000   2.647
 19        0.864   1.782   0.000   2.646
 20        0.864   1.782   0.000   2.645
 21        0.863   1.781   0.000   2.644
 22        0.863   1.776   0.000   2.639
 23        0.863   1.783   0.000   2.646
 24        0.864   1.783   0.000   2.646
 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   1.783   0.000   2.647
 29        0.864   1.783   0.000   2.646
 30        0.864   1.783   0.000   2.647
 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   1.782   0.000   2.646
 35        0.863   1.783   0.000   2.646
 36        0.863   1.776   0.000   2.639
 37        0.863   1.781   0.000   2.644
 38        0.864   1.782   0.000   2.645
 39        0.864   1.784   0.000   2.647
 40        0.864   1.784   0.000   2.647
 41        0.856   1.772   0.000   2.629
 42        0.863   1.777   0.000   2.640
 43        0.864   1.784   0.000   2.648
 44        0.864   1.783   0.000   2.646
 45        0.864   1.782   0.000   2.646
 46        0.864   1.784   0.000   2.648
 47        0.863   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   1.783   0.000   2.647
 51        0.864   1.783   0.000   2.647
 52        0.864   1.782   0.000   2.646
 53        0.864   1.782   0.000   2.646
------------------------------------------------
tot       44.831  89.424   8.027 142.282
 


 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   90.47: CPU time   45.60
    FORLOC:  VPU time    1.10: CPU time    1.09
    FORNL :  VPU time  364.13: CPU time  182.41
    STRESS:  VPU time 1095.26: CPU time  550.29
    FORCOR:  VPU time    7.45: CPU time    7.44
    FORHAR:  VPU time    1.97: CPU time    1.97
    MIXING:  VPU time    0.13: CPU time    0.13
 d Force =-0.3074543E-05[-0.355E-04, 0.294E-04]  d Energy = 0.2286578E-04-0.259E-04
 d Force = 0.1877293E+01[ 0.188E+01, 0.188E+01]  d Ewald  = 0.1149855E+02-0.962E+01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.644936 eV

  energy  without entropy=     -471.644936  energy(sigma->0) =     -471.644936
 

  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    40716.57  40733.54 -47418.03     14.70      0.00      0.00
  Hartree  40182.17  40185.95 -39436.44      3.27      0.00      0.00
  E(xc)     -779.73   -779.54   -807.27      0.17      0.00      0.00
  Local   -83191.91 -83206.45  84171.71    -12.59      0.00      0.00
  n-local   -215.77   -215.69   -203.82     -0.18      0.00      0.00
  augment     22.11     20.53     17.37     -1.37      0.00      0.00
  Kinetic   3168.52   3171.19   3581.90     -6.16      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.35     -0.31     -0.64      0.03      0.00      0.00
  in kB       -0.21     -0.19     -0.39      0.02      0.00      0.00
  external pressure =       -0.26 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
    12.348152487  0.001467909  0.000000000     0.080978218  0.046740029  0.000000000
    -6.172811640 10.694543750  0.000000000    -0.000011115  0.093499210  0.000000000
     0.000000000  0.000000000 19.975190233     0.000000000  0.000000000  0.050062101

  length of vectors
    12.348152575 12.348152475 19.975190233     0.093499210  0.093499210  0.050062101


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.403E-05 -.457E-04 -.959E+03   0.429E-05 -.274E-04 0.967E+03   -.918E-22 -.529E-22 -.796E+01   -.343E-08 0.698E-08 0.288E-01
   -.176E+02 -.305E+02 -.136E+03   0.184E+02 0.319E+02 0.138E+03   -.832E+00 -.144E+01 -.258E+01   -.159E-03 -.277E-03 -.272E-02
   0.176E+02 0.305E+02 -.136E+03   -.184E+02 -.319E+02 0.138E+03   0.832E+00 0.144E+01 -.258E+01   0.159E-03 0.277E-03 -.272E-02
   -.198E+01 0.115E+01 0.172E+02   0.199E+01 -.115E+01 -.172E+02   -.899E-02 0.519E-02 -.597E-02   0.140E-02 -.809E-03 0.122E-01
   0.579E+01 0.688E+01 0.200E+02   -.580E+01 -.691E+01 -.199E+02   0.622E-02 0.341E-01 -.163E-01   -.287E-03 0.174E-03 0.958E-02
   0.112E+02 0.507E+01 0.184E+02   -.112E+02 -.508E+01 -.183E+02   0.261E-01 0.847E-02 -.525E-01   0.123E-02 -.280E-02 0.199E-02
   0.453E+01 -.984E+00 0.163E+02   -.455E+01 0.999E+00 -.163E+02   0.180E-01 -.205E-01 -.239E-02   0.232E-03 -.251E-02 -.204E-03
   -.292E+01 -.241E+01 0.151E+02   0.294E+01 0.243E+01 -.151E+02   -.152E-01 -.148E-01 -.382E-03   0.792E-03 0.101E-02 0.589E-02
   0.628E+00 0.374E+01 0.151E+02   -.636E+00 -.376E+01 -.151E+02   0.523E-02 0.205E-01 -.382E-03   -.484E-03 -.120E-02 0.589E-02
   0.271E+01 0.182E+02 0.246E+02   -.272E+01 -.183E+02 -.246E+02   0.972E-02 0.109E+00 -.876E-02   0.117E-02 -.431E-02 0.187E-02
   0.214E+02 0.226E+02 0.395E+02   -.215E+02 -.228E+02 -.395E+02   0.118E+00 0.229E+00 -.206E-01   -.165E-04 -.694E-03 -.189E-02
   0.264E+02 -.448E+01 0.268E+02   -.267E+02 0.460E+01 -.267E+02   0.238E+00 -.119E+00 -.600E-01   -.267E-03 0.339E-03 -.284E-02
   0.918E+01 -.530E+01 0.156E+02   -.920E+01 0.531E+01 -.156E+02   0.139E-01 -.803E-02 0.462E-02   -.286E-02 0.165E-02 0.224E-02
   0.312E+01 -.343E+01 0.163E+02   -.314E+01 0.344E+01 -.163E+02   0.267E-01 -.536E-02 -.239E-02   0.228E-02 0.105E-02 -.212E-03
   -.606E+01 0.132E+02 0.198E+02   0.606E+01 -.132E+02 -.198E+02   -.314E-02 0.757E-01 -.127E-01   0.283E-02 -.124E-02 -.100E-02
   -.122E+02 0.334E+02 0.459E+02   0.123E+02 -.341E+02 -.463E+02   -.925E-01 0.678E+00 0.348E+00   0.252E-02 -.557E-02 -.464E-02
   0.263E+02 -.152E+02 0.696E+02   -.273E+02 0.157E+02 -.716E+02   0.963E+00 -.556E+00 0.209E+01   -.512E-02 0.295E-02 -.155E-01
   0.171E+02 -.207E+02 0.268E+02   -.173E+02 0.208E+02 -.267E+02   0.222E+00 -.147E+00 -.600E-01   -.430E-03 0.538E-04 -.285E-02
   0.122E+01 -.122E+02 0.184E+02   -.122E+01 0.123E+02 -.183E+02   0.573E-02 -.269E-01 -.525E-01   0.305E-02 0.333E-03 0.198E-02
   -.389E+01 0.151E+01 0.144E+02   0.389E+01 -.151E+01 -.144E+02   -.804E-02 0.570E-02 -.412E-01   0.203E-02 0.283E-02 0.328E-02
   -.182E+02 0.105E+02 0.210E+02   0.182E+02 -.105E+02 -.209E+02   -.624E-01 0.360E-01 -.125E+00   0.433E-03 -.246E-03 -.301E-02
   -.351E+02 -.610E+01 0.459E+02   0.357E+02 0.636E+01 -.463E+02   -.634E+00 -.259E+00 0.348E+00   0.608E-02 0.605E-03 -.463E-02
   -.883E+01 -.298E+02 0.395E+02   0.897E+01 0.300E+02 -.395E+02   -.139E+00 -.217E+00 -.206E-01   0.596E-03 0.357E-03 -.189E-02
   -.306E+01 -.845E+01 0.200E+02   0.308E+01 0.847E+01 -.199E+02   -.264E-01 -.224E-01 -.163E-01   -.292E-03 0.159E-03 0.957E-02
   0.126E+01 -.728E+00 0.148E+02   -.126E+01 0.727E+00 -.148E+02   -.173E-02 0.997E-03 -.314E-01   0.581E-03 -.333E-03 0.953E-02
   -.326E+01 0.261E+01 0.144E+02   0.326E+01 -.262E+01 -.144E+02   -.896E-02 0.411E-02 -.412E-01   -.143E-02 -.317E-02 0.328E-02
   -.144E+02 -.134E+01 0.198E+02   0.145E+02 0.137E+01 -.198E+02   -.671E-01 -.351E-01 -.127E-01   0.249E-02 -.183E-02 -.995E-03
   -.144E+02 -.114E+02 0.246E+02   0.145E+02 0.115E+02 -.246E+02   -.896E-01 -.630E-01 -.876E-02   0.432E-02 0.113E-02 0.187E-02
   0.306E+01 0.845E+01 0.200E+02   -.308E+01 -.847E+01 -.199E+02   0.264E-01 0.224E-01 -.163E-01   0.292E-03 -.159E-03 0.957E-02
   0.144E+02 0.114E+02 0.246E+02   -.145E+02 -.115E+02 -.246E+02   0.896E-01 0.630E-01 -.876E-02   -.432E-02 -.113E-02 0.187E-02
   0.144E+02 0.134E+01 0.198E+02   -.145E+02 -.137E+01 -.198E+02   0.671E-01 0.351E-01 -.127E-01   -.249E-02 0.183E-02 -.995E-03
   0.326E+01 -.261E+01 0.144E+02   -.326E+01 0.262E+01 -.144E+02   0.896E-02 -.411E-02 -.412E-01   0.143E-02 0.317E-02 0.328E-02
   -.126E+01 0.728E+00 0.148E+02   0.126E+01 -.727E+00 -.148E+02   0.173E-02 -.997E-03 -.314E-01   -.580E-03 0.333E-03 0.953E-02
   -.122E+01 0.122E+02 0.184E+02   0.122E+01 -.123E+02 -.183E+02   -.573E-02 0.269E-01 -.525E-01   -.305E-02 -.333E-03 0.198E-02
   0.883E+01 0.298E+02 0.395E+02   -.897E+01 -.300E+02 -.395E+02   0.139E+00 0.217E+00 -.206E-01   -.596E-03 -.356E-03 -.189E-02
   0.351E+02 0.610E+01 0.459E+02   -.357E+02 -.636E+01 -.463E+02   0.634E+00 0.259E+00 0.348E+00   -.608E-02 -.605E-03 -.463E-02
   0.182E+02 -.105E+02 0.210E+02   -.182E+02 0.105E+02 -.209E+02   0.624E-01 -.360E-01 -.125E+00   -.433E-03 0.246E-03 -.301E-02
   0.389E+01 -.151E+01 0.144E+02   -.389E+01 0.151E+01 -.144E+02   0.804E-02 -.570E-02 -.412E-01   -.203E-02 -.283E-02 0.328E-02
   -.312E+01 0.343E+01 0.163E+02   0.314E+01 -.344E+01 -.163E+02   -.267E-01 0.536E-02 -.239E-02   -.228E-02 -.105E-02 -.212E-03
   -.171E+02 0.207E+02 0.268E+02   0.173E+02 -.208E+02 -.267E+02   -.222E+00 0.147E+00 -.600E-01   0.430E-03 -.538E-04 -.285E-02
   -.263E+02 0.152E+02 0.696E+02   0.273E+02 -.157E+02 -.716E+02   -.963E+00 0.556E+00 0.209E+01   0.512E-02 -.295E-02 -.155E-01
   0.122E+02 -.334E+02 0.459E+02   -.123E+02 0.341E+02 -.463E+02   0.925E-01 -.678E+00 0.348E+00   -.252E-02 0.557E-02 -.464E-02
   0.606E+01 -.132E+02 0.198E+02   -.606E+01 0.132E+02 -.198E+02   0.314E-02 -.757E-01 -.127E-01   -.283E-02 0.124E-02 -.100E-02
   -.629E+00 -.374E+01 0.151E+02   0.636E+00 0.376E+01 -.151E+02   -.523E-02 -.205E-01 -.382E-03   0.484E-03 0.120E-02 0.589E-02
   -.918E+01 0.530E+01 0.156E+02   0.920E+01 -.531E+01 -.156E+02   -.139E-01 0.803E-02 0.462E-02   0.286E-02 -.165E-02 0.224E-02
   -.264E+02 0.448E+01 0.268E+02   0.267E+02 -.460E+01 -.267E+02   -.238E+00 0.119E+00 -.600E-01   0.267E-03 -.339E-03 -.284E-02
   -.214E+02 -.226E+02 0.395E+02   0.215E+02 0.228E+02 -.395E+02   -.118E+00 -.229E+00 -.206E-01   0.164E-04 0.694E-03 -.189E-02
   -.271E+01 -.182E+02 0.246E+02   0.272E+01 0.183E+02 -.246E+02   -.972E-02 -.109E+00 -.876E-02   -.117E-02 0.431E-02 0.187E-02
   0.198E+01 -.115E+01 0.172E+02   -.199E+01 0.115E+01 -.172E+02   0.899E-02 -.519E-02 -.597E-02   -.140E-02 0.809E-03 0.122E-01
   0.292E+01 0.241E+01 0.151E+02   -.294E+01 -.243E+01 -.151E+02   0.152E-01 0.148E-01 -.382E-03   -.792E-03 -.101E-02 0.589E-02
   -.453E+01 0.984E+00 0.163E+02   0.455E+01 -.999E+00 -.163E+02   -.180E-01 0.205E-01 -.239E-02   -.232E-03 0.251E-02 -.204E-03
   -.112E+02 -.507E+01 0.184E+02   0.112E+02 0.508E+01 -.183E+02   -.261E-01 -.847E-02 -.525E-01   -.123E-02 0.280E-02 0.198E-02
   -.579E+01 -.688E+01 0.200E+02   0.580E+01 0.691E+01 -.199E+02   -.622E-02 -.341E-01 -.163E-01   0.287E-03 -.174E-03 0.958E-02
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.306E-03 0.862E+01   0.222E-12 -.249E-13 0.121E-12   0.850E-16 0.132E-15 -.872E+01   -.263E-07 0.103E-07 0.824E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85294      6.06088     12.33788         0.000000      0.000000     -0.037236
      2.26196      6.76931     13.65432         0.004946      0.008566      0.014802
      1.44392      5.35244     13.65432        -0.004946     -0.008566      0.014802
      0.00057     -0.00033      9.95529         0.000976     -0.000563     -0.003946
     11.11280      2.13918      9.95722        -0.000377      0.001805     -0.000916
      9.87713      4.27885      9.96996         0.003095     -0.003740      0.001208
      8.64382      6.41829      9.96939        -0.005326     -0.007886      0.000472
     -4.93659      8.55567      9.96423        -0.001989      0.002026     -0.001567
      2.47043     -0.00116      9.96423        -0.002749      0.000710     -0.001567
      1.23474      2.13613      9.96968         0.001515     -0.004601     -0.000466
     -0.00408      4.27486      9.99905         0.003342      0.003662     -0.001695
     -1.23861      6.41610     10.00478         0.005014     -0.001005     -0.000141
     -2.46722      8.55512      9.97708        -0.008680      0.005011      0.001519
      4.93885      0.00110      9.96939         0.004167      0.008556      0.000472
      3.70497      2.13647      9.97765         0.005235      0.001225     -0.000803
      2.47076      4.26326     10.04217         0.000004     -0.002554      0.003341
      1.22851      6.42139     10.11303        -0.003407      0.001967      0.010992
     -0.00047      8.56062     10.00478         0.003377     -0.003839     -0.000141
      7.40832      0.00274      9.96996         0.004787     -0.000810      0.001208
      6.17371      2.13994      9.96999        -0.001498      0.009760     -0.000858
      4.94050      4.27827      9.99862         0.000242     -0.000140      0.001276
      3.71863      6.42464     10.04217         0.002213      0.001274      0.003341
      2.47117      8.56211      9.99905        -0.001500     -0.004725     -0.001695
      9.87916      0.00246      9.95722        -0.001752     -0.000576     -0.000916
      8.64312      2.14057      9.96033         0.000079     -0.000046     -0.003173
      7.40896      4.27945      9.96999        -0.009201     -0.003583     -0.000858
      6.17759      6.41918      9.97765         0.001556     -0.005146     -0.000803
      4.94277      8.55863      9.96968         0.004742      0.000988     -0.000466
     -0.00047      1.42475      9.95722         0.001752      0.000576     -0.000916
     -1.23690      3.56313      9.96968        -0.004742     -0.000988     -0.000466
     -2.47171      5.70258      9.97765        -0.001556      0.005146     -0.000803
     -3.70308      7.84230      9.96999         0.009201      0.003583     -0.000858
     -4.93724      9.98119      9.96033        -0.000079      0.000046     -0.003173
      2.47037      1.42447      9.96996        -0.004787      0.000810      0.001208
      1.23471      3.55964      9.99905         0.001500      0.004725     -0.001695
     -0.01275      5.69711     10.04217        -0.002213     -0.001274      0.003341
     -1.23463      7.84348      9.99862        -0.000242      0.000140      0.001276
     -2.46783      9.98181      9.96999         0.001498     -0.009760     -0.000858
      4.93984      1.42611      9.96939        -0.004167     -0.008556      0.000472
      3.70634      3.56113     10.00478        -0.003377      0.003839     -0.000141
      2.47737      5.70036     10.11303         0.003407     -0.001967      0.010992
      1.23512      7.85850     10.04217        -0.000004      0.002554      0.003341
      0.00091      9.98528      9.97765        -0.005235     -0.001225     -0.000803
      7.40826      1.42838      9.96423         0.002749     -0.000710     -0.001567
      6.17310      3.56664      9.97708         0.008680     -0.005011      0.001519
      4.94449      5.70566     10.00478        -0.005014      0.001005     -0.000141
      3.70996      7.84690      9.99905        -0.003342     -0.003662     -0.001695
      2.47114      9.98563      9.96968        -0.001515      0.004601     -0.000466
      9.87813      1.42754      9.95529        -0.000976      0.000563     -0.003946
      8.64247      3.56608      9.96423         0.001989     -0.002026     -0.001567
      7.41021      5.70493      9.96939         0.005326      0.007886      0.000472
      6.17690      7.84437      9.96996        -0.003095      0.003740      0.001208
      4.94124      9.98405      9.95722         0.000377     -0.001805     -0.000916
 -----------------------------------------------------------------------------------
    total drift:                               -0.001814      0.000306     -0.026455


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




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


    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  150.54: CPU time   75.46
     LOOP+:  VPU time 4870.20: CPU time 2493.58


----------------------------------------- Iteration   27(   1)  ---------------------------------------


    POTLOK:  VPU time    7.95: CPU time    7.75
    SETDIJ:  VPU time    0.28: CPU time    0.29
    EDDAV :  VPU time 1343.75: CPU time  687.46
 BZINTS: Fermi energy: -3.151373;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   91.08: CPU time   45.87
    MIXING:  VPU time    0.12: CPU time    0.12
    ------------------------------------------
      LOOP:  VPU time 1443.24: CPU time  741.51

 eigenvalue-minimisations  :  5336
 total energy-change (2. order) :-0.4716449E+03  (-0.5395420E-04)
 number of electron  212.0000031 magnetization    0.0000000
 augmentation part     7.9595009 magnetization    0.0000007

 Broyden mixing:
  rms(total) = 0.14511E-02    rms(broyden)= 0.14510E-02
  rms(prec ) = 0.16253E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34029.47909060
  -1/2 Hartree   DENC   =    -40930.17429761
  -V(xc)+E(xc)   XCENC  =       726.58784525
  PAW double counting   =      4092.34308135    -4130.71407087
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2464.60642663
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64492429 eV

  energy without entropy =     -471.64492429  energy(sigma->0) =     -471.64492429


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




----------------------------------------- Iteration   27(   2)  ---------------------------------------


    POTLOK:  VPU time    7.74: CPU time    7.74
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1174.37: CPU time  600.28
 BZINTS: Fermi energy: -3.150732;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1182.46: CPU time  608.34

 eigenvalue-minimisations  :  4384
 total energy-change (2. order) : 0.1081069E-04  (-0.1721415E-05)
 number of electron  212.0000031 magnetization    0.0000000
 augmentation part     7.9595009 magnetization    0.0000007

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34029.47909060
  -1/2 Hartree   DENC   =    -40929.98667495
  -V(xc)+E(xc)   XCENC  =       726.58299670
  PAW double counting   =      4092.22114885    -4130.59193551
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2464.78939277
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64491348 eV

  energy without entropy =     -471.64491348  energy(sigma->0) =     -471.64491348


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




 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 -58.5320       2 -39.9771       3 -39.9771       4 -58.2436       5 -58.2481
       6 -58.2553       7 -58.2459       8 -58.2443       9 -58.2443      10 -58.2601
      11 -58.3149      12 -58.2917      13 -58.2492      14 -58.2459      15 -58.2569
      16 -58.4367      17 -58.7293      18 -58.2917      19 -58.2553      20 -58.2495
      21 -58.2766      22 -58.4367      23 -58.3150      24 -58.2481      25 -58.2433
      26 -58.2495      27 -58.2569      28 -58.2602      29 -58.2480      30 -58.2600
      31 -58.2568      32 -58.2494      33 -58.2432      34 -58.2552      35 -58.3148
      36 -58.4366      37 -58.2765      38 -58.2494      39 -58.2458      40 -58.2916
      41 -58.7292      42 -58.4366      43 -58.2568      44 -58.2442      45 -58.2491
      46 -58.2916      47 -58.3149      48 -58.2600      49 -58.2435      50 -58.2442
      51 -58.2458      52 -58.2552      53 -58.2480
 
 
 
 E-fermi :  -3.1507     XC(G=0):  -2.3442     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     -22.3537      1.00000
      2     -21.5333      1.00000
      3     -21.4044      1.00000
      4     -21.4037      1.00000
      5     -21.3725      1.00000
      6     -21.3634      1.00000
      7     -21.3559      1.00000
      8     -19.6433      1.00000
      9     -19.5693      1.00000
     10     -19.5627      1.00000
     11     -19.5561      1.00000
     12     -19.5384      1.00000
     13     -19.5353      1.00000
     14     -18.7252      1.00000
     15     -18.6776      1.00000
     16     -18.6696      1.00000
     17     -18.6565      1.00000
     18     -18.6411      1.00000
     19     -18.6393      1.00000
     20     -16.5829      1.00000
     21     -16.5247      1.00000
     22     -16.5223      1.00000
     23     -16.5091      1.00000
     24     -16.4853      1.00000
     25     -16.4833      1.00000
     26     -15.5560      1.00000
     27     -15.5244      1.00000
     28     -15.5236      1.00000
     29     -15.4975      1.00000
     30     -15.4921      1.00000
     31     -15.4866      1.00000
     32     -14.2039      1.00000
     33     -14.1779      1.00000
     34     -14.1658      1.00000
     35     -14.1626      1.00000
     36     -14.1579      1.00000
     37     -14.1469      1.00000
     38     -11.8806      1.00000
     39     -11.8065      1.00000
     40     -11.7902      1.00000
     41     -11.7901      1.00000
     42     -11.7866      1.00000
     43     -11.7811      1.00000
     44     -11.7024      1.00000
     45     -11.6960      1.00000
     46     -11.6710      1.00000
     47     -11.6556      1.00000
     48     -11.6554      1.00000
     49     -11.6488      1.00000
     50     -10.6685      1.00000
     51     -10.3267      1.00000
     52     -10.3187      1.00000
     53     -10.3038      1.00000
     54     -10.3019      1.00000
     55     -10.2893      1.00000
     56     -10.2760      1.00000
     57      -9.9221      1.00000
     58      -9.3705      1.00000
     59      -9.3574      1.00000
     60      -9.2985      1.00000
     61      -9.2902      1.00000
     62      -9.2834      1.00000
     63      -9.0900      1.00000
     64      -9.0521      1.00000
     65      -9.0474      1.00000
     66      -9.0245      1.00000
     67      -9.0051      1.00000
     68      -8.9996      1.00000
     69      -8.9996      1.00000
     70      -8.9929      1.00000
     71      -8.9904      1.00000
     72      -8.9709      1.00000
     73      -8.9626      1.00000
     74      -8.9536      1.00000
     75      -8.4875      1.00000
     76      -7.5165      1.00000
     77      -7.4085      1.00000
     78      -7.4085      1.00000
     79      -7.3959      1.00000
     80      -7.3819      1.00000
     81      -7.3631      1.00000
     82      -7.3389      1.00000
     83      -7.3099      1.00000
     84      -7.2658      1.00000
     85      -7.2049      1.00000
     86      -7.1789      1.00000
     87      -7.1785      1.00000
     88      -7.0789      1.00000
     89      -6.5056      1.00000
     90      -6.4590      1.00000
     91      -6.3532      1.00000
     92      -6.2928      1.00000
     93      -6.2865      1.00000
     94      -6.2853      1.00000
     95      -5.8957      1.00000
     96      -5.8835      1.00000
     97      -5.0398      1.00000
     98      -4.9350      1.00000
     99      -4.5361      1.00000
    100      -4.3398      1.00000
    101      -4.3173      1.00000
    102      -4.3161      1.00000
    103      -4.1149      1.00000
    104      -3.9108      1.00000
    105      -3.9002      1.00000
    106      -3.8255      1.00000
    107      -1.6812      0.00000
    108      -1.6667      0.00000
    109      -1.5362      0.00000
    110      -1.5341      0.00000
    111      -1.5232      0.00000
    112      -1.5084      0.00000
    113      -0.5874      0.00000
    114       0.1346      0.00000
    115       0.2077      0.00000
    116       0.3249      0.00000
    117       0.3272      0.00000
    118       0.3343      0.00000
    119       0.4941      0.00000
    120       0.6087      0.00000
    121       1.2613      0.00000
    122       1.2853      0.00000
    123       1.5416      0.00000
    124       1.7530      0.00000
    125       1.8158      0.00000
    126       1.8196      0.00000
    127       1.8249      0.00000
    128       1.9478      0.00000
    129       1.9926      0.00000
    130       2.0318      0.00000
    131       2.0458      0.00000
    132       2.0511      0.00000
    133       2.0577      0.00000
    134       2.0655      0.00000
    135       2.3169      0.00000
    136       2.3276      0.00000
    137       2.6436      0.00000
    138       2.6532      0.00000
    139       2.6839      0.00000
    140       2.7277      0.00000
    141       2.8803      0.00000
    142       2.9911      0.00000
    143       3.0084      0.00000
    144       3.0356      0.00000
    145       3.0380      0.00000
    146       3.0385      0.00000
    147       3.0818      0.00000
    148       3.2470      0.00000
    149       3.4358      0.00000
    150       3.5522      0.00000
    151       3.7769      0.00000
    152       3.9431      0.00000
    153       3.9492      0.00000
    154       3.9554      0.00000
    155       3.9583      0.00000
    156       4.0054      0.00000
    157       4.1830      0.00000
    158       4.2663      0.00000
    159       4.2931      0.00000
    160       4.2946      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3170      1.00000
      2     -21.7585      1.00000
      3     -21.5679      1.00000
      4     -21.5353      1.00000
      5     -21.2051      1.00000
      6     -21.1604      1.00000
      7     -20.9846      1.00000
      8     -20.0990      1.00000
      9     -20.0552      1.00000
     10     -19.5438      1.00000
     11     -19.5193      1.00000
     12     -19.3467      1.00000
     13     -19.0222      1.00000
     14     -18.9873      1.00000
     15     -18.9789      1.00000
     16     -18.9669      1.00000
     17     -18.2950      1.00000
     18     -18.2759      1.00000
     19     -17.9497      1.00000
     20     -17.0070      1.00000
     21     -16.9575      1.00000
     22     -16.8764      1.00000
     23     -16.8671      1.00000
     24     -16.4028      1.00000
     25     -16.3883      1.00000
     26     -15.5493      1.00000
     27     -15.5337      1.00000
     28     -15.1952      1.00000
     29     -15.1669      1.00000
     30     -15.1125      1.00000
     31     -15.0257      1.00000
     32     -15.0007      1.00000
     33     -14.6340      1.00000
     34     -14.6224      1.00000
     35     -13.6652      1.00000
     36     -13.6499      1.00000
     37     -13.1675      1.00000
     38     -12.5489      1.00000
     39     -12.5160      1.00000
     40     -12.3887      1.00000
     41     -12.3757      1.00000
     42     -12.0551      1.00000
     43     -12.0325      1.00000
     44     -11.6567      1.00000
     45     -11.6151      1.00000
     46     -11.1784      1.00000
     47     -11.1553      1.00000
     48     -10.9623      1.00000
     49     -10.9385      1.00000
     50     -10.8708      1.00000
     51     -10.8353      1.00000
     52     -10.5987      1.00000
     53     -10.0910      1.00000
     54     -10.0864      1.00000
     55     -10.0435      1.00000
     56      -9.9679      1.00000
     57      -9.6518      1.00000
     58      -9.6272      1.00000
     59      -9.5900      1.00000
     60      -9.5275      1.00000
     61      -9.5092      1.00000
     62      -9.4776      1.00000
     63      -9.2616      1.00000
     64      -9.2390      1.00000
     65      -9.2188      1.00000
     66      -9.1645      1.00000
     67      -9.0665      1.00000
     68      -9.0448      1.00000
     69      -9.0392      1.00000
     70      -8.8806      1.00000
     71      -8.8045      1.00000
     72      -8.5732      1.00000
     73      -8.5208      1.00000
     74      -8.4537      1.00000
     75      -8.0335      1.00000
     76      -7.8087      1.00000
     77      -7.8051      1.00000
     78      -7.7907      1.00000
     79      -7.6987      1.00000
     80      -7.6889      1.00000
     81      -7.3673      1.00000
     82      -7.2713      1.00000
     83      -7.2631      1.00000
     84      -7.2160      1.00000
     85      -7.1717      1.00000
     86      -7.0079      1.00000
     87      -6.9458      1.00000
     88      -6.7442      1.00000
     89      -6.6706      1.00000
     90      -6.5931      1.00000
     91      -6.5580      1.00000
     92      -6.0489      1.00000
     93      -6.0450      1.00000
     94      -6.0201      1.00000
     95      -5.9576      1.00000
     96      -5.7350      1.00000
     97      -5.1502      1.00000
     98      -4.9872      1.00000
     99      -4.7167      1.00000
    100      -4.6100      1.00000
    101      -4.4379      1.00000
    102      -4.3723      1.00000
    103      -4.1202      1.00000
    104      -3.8667      1.00000
    105      -3.8264      1.00000
    106      -3.7893      1.00000
    107      -1.7841      0.00000
    108      -1.7381      0.00000
    109      -1.3942      0.00000
    110      -1.3451      0.00000
    111      -1.2645      0.00000
    112      -1.2253      0.00000
    113      -0.7454      0.00000
    114      -0.3796      0.00000
    115      -0.2197      0.00000
    116      -0.0197      0.00000
    117       0.5977      0.00000
    118       0.7413      0.00000
    119       0.7662      0.00000
    120       1.0510      0.00000
    121       1.1423      0.00000
    122       1.2519      0.00000
    123       1.2789      0.00000
    124       1.4225      0.00000
    125       1.4912      0.00000
    126       1.6014      0.00000
    127       1.7423      0.00000
    128       1.8401      0.00000
    129       1.8942      0.00000
    130       1.9627      0.00000
    131       2.0995      0.00000
    132       2.2547      0.00000
    133       2.2617      0.00000
    134       2.3187      0.00000
    135       2.4994      0.00000
    136       2.5855      0.00000
    137       2.6472      0.00000
    138       2.7771      0.00000
    139       2.7903      0.00000
    140       2.8106      0.00000
    141       2.8693      0.00000
    142       2.8858      0.00000
    143       2.9396      0.00000
    144       3.1130      0.00000
    145       3.2893      0.00000
    146       3.3035      0.00000
    147       3.3413      0.00000
    148       3.3668      0.00000
    149       3.4718      0.00000
    150       3.5676      0.00000
    151       3.6178      0.00000
    152       3.6740      0.00000
    153       3.7103      0.00000
    154       3.9174      0.00000
    155       3.9364      0.00000
    156       3.9915      0.00000
    157       4.0827      0.00000
    158       4.2100      0.00000
    159       4.2508      0.00000
    160       4.3012      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2113      1.00000
      2     -22.0053      1.00000
      3     -21.6465      1.00000
      4     -21.6097      1.00000
      5     -20.9103      1.00000
      6     -20.8642      1.00000
      7     -20.5430      1.00000
      8     -20.5038      1.00000
      9     -20.4935      1.00000
     10     -19.9611      1.00000
     11     -19.4399      1.00000
     12     -19.4130      1.00000
     13     -19.2393      1.00000
     14     -19.2250      1.00000
     15     -18.3816      1.00000
     16     -18.3377      1.00000
     17     -17.8578      1.00000
     18     -17.8369      1.00000
     19     -17.6954      1.00000
     20     -17.6532      1.00000
     21     -17.3699      1.00000
     22     -17.3541      1.00000
     23     -17.2722      1.00000
     24     -16.3993      1.00000
     25     -16.3847      1.00000
     26     -15.8942      1.00000
     27     -15.3503      1.00000
     28     -15.3351      1.00000
     29     -15.0326      1.00000
     30     -15.0188      1.00000
     31     -14.7974      1.00000
     32     -14.7729      1.00000
     33     -14.2199      1.00000
     34     -14.1879      1.00000
     35     -13.3690      1.00000
     36     -13.3354      1.00000
     37     -13.1178      1.00000
     38     -13.1004      1.00000
     39     -12.9138      1.00000
     40     -12.9005      1.00000
     41     -12.5547      1.00000
     42     -12.5369      1.00000
     43     -12.1311      1.00000
     44     -11.5192      1.00000
     45     -11.4719      1.00000
     46     -11.2512      1.00000
     47     -11.2179      1.00000
     48     -11.0775      1.00000
     49     -10.6551      1.00000
     50     -10.5873      1.00000
     51     -10.5203      1.00000
     52     -10.2555      1.00000
     53     -10.2472      1.00000
     54     -10.1205      1.00000
     55     -10.0470      1.00000
     56     -10.0397      1.00000
     57      -9.7667      1.00000
     58      -9.7029      1.00000
     59      -9.6783      1.00000
     60      -9.6288      1.00000
     61      -9.6243      1.00000
     62      -9.5861      1.00000
     63      -9.2923      1.00000
     64      -9.2833      1.00000
     65      -9.2514      1.00000
     66      -9.0827      1.00000
     67      -8.8951      1.00000
     68      -8.8815      1.00000
     69      -8.7229      1.00000
     70      -8.5853      1.00000
     71      -8.5124      1.00000
     72      -8.3289      1.00000
     73      -8.3008      1.00000
     74      -8.2624      1.00000
     75      -8.2314      1.00000
     76      -8.1934      1.00000
     77      -8.1847      1.00000
     78      -8.1691      1.00000
     79      -8.0951      1.00000
     80      -7.6866      1.00000
     81      -7.3592      1.00000
     82      -7.3093      1.00000
     83      -7.2645      1.00000
     84      -7.1858      1.00000
     85      -7.1251      1.00000
     86      -7.0757      1.00000
     87      -6.9055      1.00000
     88      -6.8812      1.00000
     89      -6.5478      1.00000
     90      -6.4911      1.00000
     91      -6.2083      1.00000
     92      -6.0671      1.00000
     93      -5.9396      1.00000
     94      -5.7120      1.00000
     95      -5.6315      1.00000
     96      -5.4506      1.00000
     97      -5.3031      1.00000
     98      -5.2327      1.00000
     99      -5.1509      1.00000
    100      -5.1504      1.00000
    101      -4.5184      1.00000
    102      -4.4693      1.00000
    103      -4.1396      1.00000
    104      -3.8295      1.00000
    105      -3.7557      1.00000
    106      -3.6793      1.00000
    107      -1.8699      0.00000
    108      -1.8235      0.00000
    109      -1.2770      0.00000
    110      -1.0351      0.00000
    111      -1.0113      0.00000
    112      -0.7125      0.00000
    113      -0.6391      0.00000
    114      -0.5878      0.00000
    115      -0.5455      0.00000
    116      -0.2048      0.00000
    117       0.2526      0.00000
    118       0.2791      0.00000
    119       0.7707      0.00000
    120       0.9519      0.00000
    121       1.1370      0.00000
    122       1.2333      0.00000
    123       1.3244      0.00000
    124       1.4181      0.00000
    125       1.6129      0.00000
    126       1.6362      0.00000
    127       1.7223      0.00000
    128       1.8155      0.00000
    129       1.9358      0.00000
    130       2.0353      0.00000
    131       2.0658      0.00000
    132       2.2829      0.00000
    133       2.4008      0.00000
    134       2.4509      0.00000
    135       2.5552      0.00000
    136       2.6447      0.00000
    137       2.7057      0.00000
    138       2.7759      0.00000
    139       2.8465      0.00000
    140       2.8896      0.00000
    141       3.0462      0.00000
    142       3.1043      0.00000
    143       3.2061      0.00000
    144       3.2496      0.00000
    145       3.3953      0.00000
    146       3.4319      0.00000
    147       3.4982      0.00000
    148       3.5802      0.00000
    149       3.6096      0.00000
    150       3.6322      0.00000
    151       3.6553      0.00000
    152       3.7375      0.00000
    153       3.7513      0.00000
    154       3.7620      0.00000
    155       3.8043      0.00000
    156       3.9007      0.00000
    157       3.9908      0.00000
    158       4.0164      0.00000
    159       4.1873      0.00000
    160       4.2225      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2452      1.00000
      2     -21.8909      1.00000
      3     -21.8205      1.00000
      4     -21.3090      1.00000
      5     -21.2789      1.00000
      6     -20.7678      1.00000
      7     -20.7021      1.00000
      8     -20.5536      1.00000
      9     -20.0066      1.00000
     10     -19.9987      1.00000
     11     -19.6454      1.00000
     12     -19.6211      1.00000
     13     -18.9273      1.00000
     14     -18.9183      1.00000
     15     -18.5685      1.00000
     16     -18.5543      1.00000
     17     -18.3913      1.00000
     18     -17.6122      1.00000
     19     -17.5563      1.00000
     20     -17.5512      1.00000
     21     -17.5098      1.00000
     22     -17.0538      1.00000
     23     -17.0358      1.00000
     24     -16.8898      1.00000
     25     -15.9280      1.00000
     26     -15.8647      1.00000
     27     -15.5137      1.00000
     28     -15.5135      1.00000
     29     -15.2258      1.00000
     30     -14.7925      1.00000
     31     -14.7650      1.00000
     32     -14.5128      1.00000
     33     -14.4690      1.00000
     34     -14.0996      1.00000
     35     -14.0887      1.00000
     36     -13.0747      1.00000
     37     -13.0303      1.00000
     38     -12.9643      1.00000
     39     -12.9526      1.00000
     40     -12.6433      1.00000
     41     -12.6361      1.00000
     42     -12.2717      1.00000
     43     -12.2405      1.00000
     44     -11.5849      1.00000
     45     -11.5588      1.00000
     46     -11.5042      1.00000
     47     -10.9012      1.00000
     48     -10.8489      1.00000
     49     -10.6169      1.00000
     50     -10.5573      1.00000
     51     -10.4829      1.00000
     52     -10.4318      1.00000
     53     -10.4218      1.00000
     54     -10.3694      1.00000
     55     -10.2913      1.00000
     56     -10.0623      1.00000
     57      -9.8313      1.00000
     58      -9.5455      1.00000
     59      -9.4860      1.00000
     60      -9.4664      1.00000
     61      -9.3442      1.00000
     62      -9.3287      1.00000
     63      -9.3084      1.00000
     64      -9.3063      1.00000
     65      -9.2123      1.00000
     66      -9.1100      1.00000
     67      -9.0787      1.00000
     68      -9.0479      1.00000
     69      -8.8440      1.00000
     70      -8.7909      1.00000
     71      -8.7723      1.00000
     72      -8.5253      1.00000
     73      -8.4723      1.00000
     74      -8.2171      1.00000
     75      -8.1077      1.00000
     76      -8.0978      1.00000
     77      -7.8046      1.00000
     78      -7.7810      1.00000
     79      -7.7801      1.00000
     80      -7.6712      1.00000
     81      -7.6302      1.00000
     82      -7.6284      1.00000
     83      -7.4026      1.00000
     84      -7.3229      1.00000
     85      -7.2053      1.00000
     86      -6.8378      1.00000
     87      -6.8278      1.00000
     88      -6.6580      1.00000
     89      -6.5374      1.00000
     90      -6.3426      1.00000
     91      -6.3056      1.00000
     92      -6.1829      1.00000
     93      -6.1457      1.00000
     94      -5.9762      1.00000
     95      -5.5706      1.00000
     96      -5.4243      1.00000
     97      -5.2574      1.00000
     98      -5.2444      1.00000
     99      -5.1475      1.00000
    100      -4.6941      1.00000
    101      -4.6641      1.00000
    102      -4.3486      1.00000
    103      -4.3114      1.00000
    104      -3.9621      1.00000
    105      -3.8220      1.00000
    106      -3.3896      1.00000
    107      -2.2191      0.00000
    108      -1.3755      0.00000
    109      -1.2863      0.00000
    110      -1.1728      0.00000
    111      -1.0775      0.00000
    112      -0.8931      0.00000
    113      -0.7679      0.00000
    114      -0.7567      0.00000
    115      -0.2211      0.00000
    116       0.1140      0.00000
    117       0.2640      0.00000
    118       0.3462      0.00000
    119       0.7451      0.00000
    120       0.9064      0.00000
    121       0.9741      0.00000
    122       1.1006      0.00000
    123       1.2163      0.00000
    124       1.5386      0.00000
    125       1.5861      0.00000
    126       1.7202      0.00000
    127       1.8396      0.00000
    128       1.8629      0.00000
    129       1.9441      0.00000
    130       2.0282      0.00000
    131       2.1479      0.00000
    132       2.2926      0.00000
    133       2.4054      0.00000
    134       2.4662      0.00000
    135       2.4794      0.00000
    136       2.6674      0.00000
    137       2.6873      0.00000
    138       2.7484      0.00000
    139       2.7512      0.00000
    140       2.9036      0.00000
    141       3.0380      0.00000
    142       3.0931      0.00000
    143       3.1639      0.00000
    144       3.2085      0.00000
    145       3.2545      0.00000
    146       3.2775      0.00000
    147       3.3643      0.00000
    148       3.4901      0.00000
    149       3.5517      0.00000
    150       3.7120      0.00000
    151       3.7620      0.00000
    152       3.7714      0.00000
    153       3.8269      0.00000
    154       3.8936      0.00000
    155       3.9621      0.00000
    156       3.9739      0.00000
    157       4.0003      0.00000
    158       4.0328      0.00000
    159       4.0377      0.00000
    160       4.0886      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1389      1.00000
      2     -22.0444      1.00000
      3     -21.8841      1.00000
      4     -21.3321      1.00000
      5     -20.9791      1.00000
      6     -20.9408      1.00000
      7     -20.4307      1.00000
      8     -20.3883      1.00000
      9     -20.2240      1.00000
     10     -20.2028      1.00000
     11     -19.8865      1.00000
     12     -19.8193      1.00000
     13     -18.8123      1.00000
     14     -18.7417      1.00000
     15     -18.2872      1.00000
     16     -18.2344      1.00000
     17     -18.0834      1.00000
     18     -18.0638      1.00000
     19     -17.7590      1.00000
     20     -17.7172      1.00000
     21     -17.1866      1.00000
     22     -17.1683      1.00000
     23     -17.0975      1.00000
     24     -17.0618      1.00000
     25     -16.0356      1.00000
     26     -15.8205      1.00000
     27     -15.7976      1.00000
     28     -15.7626      1.00000
     29     -15.1716      1.00000
     30     -14.4889      1.00000
     31     -14.4565      1.00000
     32     -14.2158      1.00000
     33     -13.8931      1.00000
     34     -13.8882      1.00000
     35     -13.7540      1.00000
     36     -13.7342      1.00000
     37     -13.5493      1.00000
     38     -13.5014      1.00000
     39     -13.2975      1.00000
     40     -12.5620      1.00000
     41     -12.1227      1.00000
     42     -12.0645      1.00000
     43     -12.0074      1.00000
     44     -11.9496      1.00000
     45     -11.6086      1.00000
     46     -11.5863      1.00000
     47     -11.0828      1.00000
     48     -11.0504      1.00000
     49     -10.7496      1.00000
     50     -10.6623      1.00000
     51     -10.5215      1.00000
     52     -10.1463      1.00000
     53     -10.1365      1.00000
     54     -10.0943      1.00000
     55      -9.9512      1.00000
     56      -9.9455      1.00000
     57      -9.9154      1.00000
     58      -9.7357      1.00000
     59      -9.7290      1.00000
     60      -9.6991      1.00000
     61      -9.6892      1.00000
     62      -9.4254      1.00000
     63      -9.3612      1.00000
     64      -9.0822      1.00000
     65      -9.0047      1.00000
     66      -8.9729      1.00000
     67      -8.8863      1.00000
     68      -8.8096      1.00000
     69      -8.6556      1.00000
     70      -8.6331      1.00000
     71      -8.5742      1.00000
     72      -8.4766      1.00000
     73      -8.4657      1.00000
     74      -8.3960      1.00000
     75      -8.3926      1.00000
     76      -8.1822      1.00000
     77      -8.1106      1.00000
     78      -7.9758      1.00000
     79      -7.9116      1.00000
     80      -7.8452      1.00000
     81      -7.6145      1.00000
     82      -7.5288      1.00000
     83      -7.4677      1.00000
     84      -7.2650      1.00000
     85      -6.9329      1.00000
     86      -6.8562      1.00000
     87      -6.8100      1.00000
     88      -6.5709      1.00000
     89      -6.4648      1.00000
     90      -6.4194      1.00000
     91      -6.3555      1.00000
     92      -6.0491      1.00000
     93      -5.8754      1.00000
     94      -5.7513      1.00000
     95      -5.7204      1.00000
     96      -5.4744      1.00000
     97      -5.3441      1.00000
     98      -5.1789      1.00000
     99      -5.1548      1.00000
    100      -5.1534      1.00000
    101      -4.7053      1.00000
    102      -4.4399      1.00000
    103      -4.2519      1.00000
    104      -3.9933      1.00000
    105      -3.8209      1.00000
    106      -3.1558      1.00000
    107      -2.4623      0.00000
    108      -1.3783      0.00000
    109      -1.2401      0.00000
    110      -1.1456      0.00000
    111      -1.1141      0.00000
    112      -0.5642      0.00000
    113      -0.4343      0.00000
    114      -0.4297      0.00000
    115      -0.3096      0.00000
    116      -0.1903      0.00000
    117       0.0623      0.00000
    118       0.1162      0.00000
    119       0.5410      0.00000
    120       0.6844      0.00000
    121       0.8810      0.00000
    122       0.9793      0.00000
    123       1.1207      0.00000
    124       1.5046      0.00000
    125       1.6750      0.00000
    126       1.8344      0.00000
    127       1.8927      0.00000
    128       2.0850      0.00000
    129       2.1162      0.00000
    130       2.1659      0.00000
    131       2.2197      0.00000
    132       2.3281      0.00000
    133       2.3413      0.00000
    134       2.4818      0.00000
    135       2.5639      0.00000
    136       2.6861      0.00000
    137       2.8898      0.00000
    138       2.9386      0.00000
    139       2.9768      0.00000
    140       2.9950      0.00000
    141       3.0486      0.00000
    142       3.1368      0.00000
    143       3.1651      0.00000
    144       3.2498      0.00000
    145       3.3032      0.00000
    146       3.3421      0.00000
    147       3.3542      0.00000
    148       3.3887      0.00000
    149       3.4216      0.00000
    150       3.5103      0.00000
    151       3.5614      0.00000
    152       3.6223      0.00000
    153       3.6510      0.00000
    154       3.6991      0.00000
    155       3.7248      0.00000
    156       3.9315      0.00000
    157       3.9407      0.00000
    158       4.0737      0.00000
    159       4.1144      0.00000
    160       4.2231      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2450      1.00000
      2     -21.8923      1.00000
      3     -21.8191      1.00000
      4     -21.3136      1.00000
      5     -21.2749      1.00000
      6     -20.7688      1.00000
      7     -20.7003      1.00000
      8     -20.5521      1.00000
      9     -20.0202      1.00000
     10     -19.9881      1.00000
     11     -19.6479      1.00000
     12     -19.6169      1.00000
     13     -18.9408      1.00000
     14     -18.9064      1.00000
     15     -18.5814      1.00000
     16     -18.5445      1.00000
     17     -18.3899      1.00000
     18     -17.5995      1.00000
     19     -17.5686      1.00000
     20     -17.5392      1.00000
     21     -17.5065      1.00000
     22     -17.0719      1.00000
     23     -17.0256      1.00000
     24     -16.8979      1.00000
     25     -15.9433      1.00000
     26     -15.8489      1.00000
     27     -15.5308      1.00000
     28     -15.5044      1.00000
     29     -15.2074      1.00000
     30     -14.8113      1.00000
     31     -14.7594      1.00000
     32     -14.5074      1.00000
     33     -14.4661      1.00000
     34     -14.0940      1.00000
     35     -14.0910      1.00000
     36     -13.1025      1.00000
     37     -13.0271      1.00000
     38     -12.9549      1.00000
     39     -12.9478      1.00000
     40     -12.6536      1.00000
     41     -12.6256      1.00000
     42     -12.2717      1.00000
     43     -12.2447      1.00000
     44     -11.5707      1.00000
     45     -11.5517      1.00000
     46     -11.4985      1.00000
     47     -10.8756      1.00000
     48     -10.8659      1.00000
     49     -10.6768      1.00000
     50     -10.5236      1.00000
     51     -10.5179      1.00000
     52     -10.4313      1.00000
     53     -10.4141      1.00000
     54     -10.3684      1.00000
     55     -10.2861      1.00000
     56     -10.0578      1.00000
     57      -9.8302      1.00000
     58      -9.5561      1.00000
     59      -9.4830      1.00000
     60      -9.4410      1.00000
     61      -9.3531      1.00000
     62      -9.3374      1.00000
     63      -9.3062      1.00000
     64      -9.3007      1.00000
     65      -9.2041      1.00000
     66      -9.0975      1.00000
     67      -9.0667      1.00000
     68      -9.0473      1.00000
     69      -8.8466      1.00000
     70      -8.7945      1.00000
     71      -8.7759      1.00000
     72      -8.5250      1.00000
     73      -8.4933      1.00000
     74      -8.2219      1.00000
     75      -8.1275      1.00000
     76      -8.0910      1.00000
     77      -7.8046      1.00000
     78      -7.7659      1.00000
     79      -7.7384      1.00000
     80      -7.6998      1.00000
     81      -7.6338      1.00000
     82      -7.6233      1.00000
     83      -7.3882      1.00000
     84      -7.3437      1.00000
     85      -7.2239      1.00000
     86      -6.8420      1.00000
     87      -6.8191      1.00000
     88      -6.6367      1.00000
     89      -6.5279      1.00000
     90      -6.3401      1.00000
     91      -6.2710      1.00000
     92      -6.1937      1.00000
     93      -6.1304      1.00000
     94      -6.0188      1.00000
     95      -5.6329      1.00000
     96      -5.5069      1.00000
     97      -5.2964      1.00000
     98      -5.1549      1.00000
     99      -5.0383      1.00000
    100      -4.7238      1.00000
    101      -4.6843      1.00000
    102      -4.3670      1.00000
    103      -4.1821      1.00000
    104      -4.0062      1.00000
    105      -3.8204      1.00000
    106      -3.4832      1.00000
    107      -2.1642      0.00000
    108      -1.3827      0.00000
    109      -1.2348      0.00000
    110      -1.1849      0.00000
    111      -1.0134      0.00000
    112      -0.9549      0.00000
    113      -0.7968      0.00000
    114      -0.7518      0.00000
    115      -0.3674      0.00000
    116       0.2461      0.00000
    117       0.2770      0.00000
    118       0.3641      0.00000
    119       0.7108      0.00000
    120       0.8702      0.00000
    121       0.9664      0.00000
    122       1.1337      0.00000
    123       1.2467      0.00000
    124       1.4614      0.00000
    125       1.5815      0.00000
    126       1.7843      0.00000
    127       1.8463      0.00000
    128       1.8721      0.00000
    129       2.0012      0.00000
    130       2.0395      0.00000
    131       2.1815      0.00000
    132       2.2339      0.00000
    133       2.3992      0.00000
    134       2.4215      0.00000
    135       2.5066      0.00000
    136       2.6605      0.00000
    137       2.6853      0.00000
    138       2.7427      0.00000
    139       2.7774      0.00000
    140       2.8721      0.00000
    141       2.9858      0.00000
    142       3.0901      0.00000
    143       3.1538      0.00000
    144       3.2047      0.00000
    145       3.2627      0.00000
    146       3.2955      0.00000
    147       3.3345      0.00000
    148       3.4910      0.00000
    149       3.5339      0.00000
    150       3.7167      0.00000
    151       3.7374      0.00000
    152       3.7720      0.00000
    153       3.8636      0.00000
    154       3.8779      0.00000
    155       3.9040      0.00000
    156       3.9663      0.00000
    157       4.0070      0.00000
    158       4.0374      0.00000
    159       4.0431      0.00000
    160       4.0918      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3170      1.00000
      2     -21.7588      1.00000
      3     -21.5651      1.00000
      4     -21.5382      1.00000
      5     -21.2022      1.00000
      6     -21.1638      1.00000
      7     -20.9834      1.00000
      8     -20.0960      1.00000
      9     -20.0576      1.00000
     10     -19.5438      1.00000
     11     -19.5237      1.00000
     12     -19.3426      1.00000
     13     -19.0256      1.00000
     14     -18.9860      1.00000
     15     -18.9751      1.00000
     16     -18.9696      1.00000
     17     -18.2936      1.00000
     18     -18.2802      1.00000
     19     -17.9443      1.00000
     20     -16.9982      1.00000
     21     -16.9580      1.00000
     22     -16.8805      1.00000
     23     -16.8678      1.00000
     24     -16.4136      1.00000
     25     -16.3912      1.00000
     26     -15.5385      1.00000
     27     -15.5353      1.00000
     28     -15.1710      1.00000
     29     -15.1694      1.00000
     30     -15.1287      1.00000
     31     -15.0343      1.00000
     32     -14.9989      1.00000
     33     -14.6311      1.00000
     34     -14.6244      1.00000
     35     -13.6606      1.00000
     36     -13.6510      1.00000
     37     -13.1691      1.00000
     38     -12.5708      1.00000
     39     -12.5113      1.00000
     40     -12.3835      1.00000
     41     -12.3829      1.00000
     42     -12.0336      1.00000
     43     -12.0298      1.00000
     44     -11.6524      1.00000
     45     -11.6124      1.00000
     46     -11.2037      1.00000
     47     -11.1550      1.00000
     48     -10.9529      1.00000
     49     -10.9404      1.00000
     50     -10.8582      1.00000
     51     -10.8261      1.00000
     52     -10.6203      1.00000
     53     -10.1434      1.00000
     54     -10.0823      1.00000
     55     -10.0233      1.00000
     56      -9.9432      1.00000
     57      -9.6290      1.00000
     58      -9.6276      1.00000
     59      -9.6013      1.00000
     60      -9.5385      1.00000
     61      -9.5018      1.00000
     62      -9.4774      1.00000
     63      -9.2696      1.00000
     64      -9.2337      1.00000
     65      -9.2053      1.00000
     66      -9.1773      1.00000
     67      -9.0607      1.00000
     68      -9.0452      1.00000
     69      -9.0419      1.00000
     70      -8.8751      1.00000
     71      -8.8064      1.00000
     72      -8.5313      1.00000
     73      -8.5310      1.00000
     74      -8.4942      1.00000
     75      -8.0297      1.00000
     76      -7.8303      1.00000
     77      -7.7963      1.00000
     78      -7.7726      1.00000
     79      -7.7019      1.00000
     80      -7.6827      1.00000
     81      -7.4180      1.00000
     82      -7.2859      1.00000
     83      -7.2499      1.00000
     84      -7.2013      1.00000
     85      -7.0793      1.00000
     86      -7.0774      1.00000
     87      -6.9368      1.00000
     88      -6.7088      1.00000
     89      -6.6722      1.00000
     90      -6.6280      1.00000
     91      -6.5563      1.00000
     92      -6.0699      1.00000
     93      -6.0298      1.00000
     94      -5.9995      1.00000
     95      -5.9364      1.00000
     96      -5.7977      1.00000
     97      -5.1768      1.00000
     98      -4.8918      1.00000
     99      -4.7918      1.00000
    100      -4.6102      1.00000
    101      -4.5114      1.00000
    102      -4.1381      1.00000
    103      -4.0895      1.00000
    104      -3.9296      1.00000
    105      -3.9147      1.00000
    106      -3.8197      1.00000
    107      -1.7515      0.00000
    108      -1.6959      0.00000
    109      -1.4096      0.00000
    110      -1.3701      0.00000
    111      -1.2641      0.00000
    112      -1.2350      0.00000
    113      -0.6250      0.00000
    114      -0.5979      0.00000
    115      -0.1892      0.00000
    116       0.0411      0.00000
    117       0.5936      0.00000
    118       0.7439      0.00000
    119       0.8494      0.00000
    120       0.9304      0.00000
    121       1.1679      0.00000
    122       1.2164      0.00000
    123       1.2500      0.00000
    124       1.4365      0.00000
    125       1.6027      0.00000
    126       1.6521      0.00000
    127       1.7184      0.00000
    128       1.7806      0.00000
    129       1.9188      0.00000
    130       1.9400      0.00000
    131       2.1506      0.00000
    132       2.1883      0.00000
    133       2.2668      0.00000
    134       2.3212      0.00000
    135       2.5586      0.00000
    136       2.5883      0.00000
    137       2.5937      0.00000
    138       2.7671      0.00000
    139       2.7932      0.00000
    140       2.7984      0.00000
    141       2.8945      0.00000
    142       2.9154      0.00000
    143       3.0292      0.00000
    144       3.0509      0.00000
    145       3.1171      0.00000
    146       3.3047      0.00000
    147       3.3207      0.00000
    148       3.3870      0.00000
    149       3.4822      0.00000
    150       3.5818      0.00000
    151       3.6458      0.00000
    152       3.6574      0.00000
    153       3.6837      0.00000
    154       3.9026      0.00000
    155       3.9791      0.00000
    156       4.0191      0.00000
    157       4.0908      0.00000
    158       4.2438      0.00000
    159       4.2613      0.00000
    160       4.2713      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1380      1.00000
      2     -22.0457      1.00000
      3     -21.8836      1.00000
      4     -21.3330      1.00000
      5     -20.9742      1.00000
      6     -20.9449      1.00000
      7     -20.4255      1.00000
      8     -20.3936      1.00000
      9     -20.2140      1.00000
     10     -20.2116      1.00000
     11     -19.8853      1.00000
     12     -19.8217      1.00000
     13     -18.8152      1.00000
     14     -18.7446      1.00000
     15     -18.2638      1.00000
     16     -18.2494      1.00000
     17     -18.0784      1.00000
     18     -18.0713      1.00000
     19     -17.7440      1.00000
     20     -17.7280      1.00000
     21     -17.1928      1.00000
     22     -17.1693      1.00000
     23     -17.0873      1.00000
     24     -17.0659      1.00000
     25     -16.0514      1.00000
     26     -15.8062      1.00000
     27     -15.7967      1.00000
     28     -15.7754      1.00000
     29     -15.1577      1.00000
     30     -14.4833      1.00000
     31     -14.4622      1.00000
     32     -14.2027      1.00000
     33     -13.9143      1.00000
     34     -13.8849      1.00000
     35     -13.7571      1.00000
     36     -13.7371      1.00000
     37     -13.5345      1.00000
     38     -13.5083      1.00000
     39     -13.2990      1.00000
     40     -12.5741      1.00000
     41     -12.0995      1.00000
     42     -12.0750      1.00000
     43     -11.9963      1.00000
     44     -11.9487      1.00000
     45     -11.6038      1.00000
     46     -11.5963      1.00000
     47     -11.0824      1.00000
     48     -11.0589      1.00000
     49     -10.7293      1.00000
     50     -10.6624      1.00000
     51     -10.5534      1.00000
     52     -10.1379      1.00000
     53     -10.1335      1.00000
     54     -10.0989      1.00000
     55      -9.9642      1.00000
     56      -9.9237      1.00000
     57      -9.9198      1.00000
     58      -9.7492      1.00000
     59      -9.7274      1.00000
     60      -9.6958      1.00000
     61      -9.6926      1.00000
     62      -9.3974      1.00000
     63      -9.3868      1.00000
     64      -9.0654      1.00000
     65      -8.9802      1.00000
     66      -8.9798      1.00000
     67      -8.9042      1.00000
     68      -8.8105      1.00000
     69      -8.6480      1.00000
     70      -8.6320      1.00000
     71      -8.5434      1.00000
     72      -8.4996      1.00000
     73      -8.4810      1.00000
     74      -8.3923      1.00000
     75      -8.3813      1.00000
     76      -8.2075      1.00000
     77      -8.0989      1.00000
     78      -8.0050      1.00000
     79      -7.8992      1.00000
     80      -7.8410      1.00000
     81      -7.6202      1.00000
     82      -7.5313      1.00000
     83      -7.4557      1.00000
     84      -7.2608      1.00000
     85      -6.9410      1.00000
     86      -6.8677      1.00000
     87      -6.8088      1.00000
     88      -6.4768      1.00000
     89      -6.4671      1.00000
     90      -6.4080      1.00000
     91      -6.3582      1.00000
     92      -6.1842      1.00000
     93      -5.8568      1.00000
     94      -5.7365      1.00000
     95      -5.7099      1.00000
     96      -5.5206      1.00000
     97      -5.3279      1.00000
     98      -5.1713      1.00000
     99      -5.1662      1.00000
    100      -5.1327      1.00000
    101      -4.6949      1.00000
    102      -4.3478      1.00000
    103      -4.2758      1.00000
    104      -4.0259      1.00000
    105      -3.8218      1.00000
    106      -3.2320      1.00000
    107      -2.4052      0.00000
    108      -1.3447      0.00000
    109      -1.2428      0.00000
    110      -1.1534      0.00000
    111      -1.1078      0.00000
    112      -0.5833      0.00000
    113      -0.5205      0.00000
    114      -0.4335      0.00000
    115      -0.2740      0.00000
    116      -0.0716      0.00000
    117      -0.0110      0.00000
    118       0.0601      0.00000
    119       0.5845      0.00000
    120       0.7107      0.00000
    121       0.8190      0.00000
    122       0.9538      0.00000
    123       1.1939      0.00000
    124       1.5301      0.00000
    125       1.6273      0.00000
    126       1.8828      0.00000
    127       2.0218      0.00000
    128       2.0580      0.00000
    129       2.0912      0.00000
    130       2.1357      0.00000
    131       2.2293      0.00000
    132       2.2870      0.00000
    133       2.3382      0.00000
    134       2.4272      0.00000
    135       2.6101      0.00000
    136       2.7144      0.00000
    137       2.8445      0.00000
    138       2.9153      0.00000
    139       2.9444      0.00000
    140       3.0149      0.00000
    141       3.0535      0.00000
    142       3.1249      0.00000
    143       3.1741      0.00000
    144       3.2240      0.00000
    145       3.3088      0.00000
    146       3.3198      0.00000
    147       3.3616      0.00000
    148       3.3808      0.00000
    149       3.4343      0.00000
    150       3.4558      0.00000
    151       3.5635      0.00000
    152       3.6102      0.00000
    153       3.6542      0.00000
    154       3.6991      0.00000
    155       3.8694      0.00000
    156       3.9080      0.00000
    157       3.9455      0.00000
    158       3.9660      0.00000
    159       4.1769      0.00000
    160       4.2046      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2109      1.00000
      2     -22.0059      1.00000
      3     -21.6437      1.00000
      4     -21.6128      1.00000
      5     -20.9073      1.00000
      6     -20.8670      1.00000
      7     -20.5367      1.00000
      8     -20.5045      1.00000
      9     -20.4978      1.00000
     10     -19.9603      1.00000
     11     -19.4386      1.00000
     12     -19.4166      1.00000
     13     -19.2377      1.00000
     14     -19.2307      1.00000
     15     -18.3739      1.00000
     16     -18.3393      1.00000
     17     -17.8567      1.00000
     18     -17.8408      1.00000
     19     -17.6892      1.00000
     20     -17.6538      1.00000
     21     -17.3702      1.00000
     22     -17.3562      1.00000
     23     -17.2658      1.00000
     24     -16.4112      1.00000
     25     -16.3880      1.00000
     26     -15.9025      1.00000
     27     -15.3414      1.00000
     28     -15.3366      1.00000
     29     -15.0290      1.00000
     30     -15.0194      1.00000
     31     -14.7750      1.00000
     32     -14.7727      1.00000
     33     -14.2357      1.00000
     34     -14.1852      1.00000
     35     -13.3857      1.00000
     36     -13.3317      1.00000
     37     -13.1092      1.00000
     38     -13.1013      1.00000
     39     -12.9155      1.00000
     40     -12.9100      1.00000
     41     -12.5436      1.00000
     42     -12.5361      1.00000
     43     -12.1319      1.00000
     44     -11.5114      1.00000
     45     -11.4673      1.00000
     46     -11.2425      1.00000
     47     -11.2111      1.00000
     48     -11.0845      1.00000
     49     -10.7007      1.00000
     50     -10.5935      1.00000
     51     -10.5064      1.00000
     52     -10.2499      1.00000
     53     -10.2458      1.00000
     54     -10.1194      1.00000
     55     -10.0521      1.00000
     56     -10.0376      1.00000
     57      -9.7819      1.00000
     58      -9.6854      1.00000
     59      -9.6720      1.00000
     60      -9.6361      1.00000
     61      -9.6264      1.00000
     62      -9.5843      1.00000
     63      -9.2937      1.00000
     64      -9.2820      1.00000
     65      -9.2508      1.00000
     66      -9.0599      1.00000
     67      -8.8934      1.00000
     68      -8.8824      1.00000
     69      -8.7171      1.00000
     70      -8.5771      1.00000
     71      -8.5240      1.00000
     72      -8.3486      1.00000
     73      -8.3033      1.00000
     74      -8.2420      1.00000
     75      -8.2368      1.00000
     76      -8.1929      1.00000
     77      -8.1806      1.00000
     78      -8.1677      1.00000
     79      -8.1018      1.00000
     80      -7.6875      1.00000
     81      -7.4229      1.00000
     82      -7.3415      1.00000
     83      -7.2581      1.00000
     84      -7.1676      1.00000
     85      -7.1088      1.00000
     86      -7.0047      1.00000
     87      -6.9022      1.00000
     88      -6.8476      1.00000
     89      -6.5405      1.00000
     90      -6.4973      1.00000
     91      -6.2068      1.00000
     92      -6.2001      1.00000
     93      -5.8936      1.00000
     94      -5.6717      1.00000
     95      -5.6047      1.00000
     96      -5.5790      1.00000
     97      -5.2523      1.00000
     98      -5.2303      1.00000
     99      -5.1636      1.00000
    100      -5.1335      1.00000
    101      -4.5986      1.00000
    102      -4.2461      1.00000
    103      -4.0424      1.00000
    104      -3.8834      1.00000
    105      -3.8358      1.00000
    106      -3.7979      1.00000
    107      -1.8077      0.00000
    108      -1.7808      0.00000
    109      -1.2248      0.00000
    110      -1.1743      0.00000
    111      -0.9734      0.00000
    112      -0.7341      0.00000
    113      -0.6493      0.00000
    114      -0.5934      0.00000
    115      -0.5489      0.00000
    116      -0.1550      0.00000
    117       0.1767      0.00000
    118       0.2885      0.00000
    119       0.7159      0.00000
    120       0.9586      0.00000
    121       1.1720      0.00000
    122       1.2779      0.00000
    123       1.3545      0.00000
    124       1.5252      0.00000
    125       1.6177      0.00000
    126       1.6375      0.00000
    127       1.6963      0.00000
    128       1.7773      0.00000
    129       1.8752      0.00000
    130       2.0416      0.00000
    131       2.1641      0.00000
    132       2.2862      0.00000
    133       2.4197      0.00000
    134       2.4208      0.00000
    135       2.5742      0.00000
    136       2.6397      0.00000
    137       2.6932      0.00000
    138       2.6965      0.00000
    139       2.7724      0.00000
    140       2.9106      0.00000
    141       3.0553      0.00000
    142       3.0740      0.00000
    143       3.2002      0.00000
    144       3.2905      0.00000
    145       3.4024      0.00000
    146       3.4214      0.00000
    147       3.4650      0.00000
    148       3.5452      0.00000
    149       3.5849      0.00000
    150       3.6415      0.00000
    151       3.6735      0.00000
    152       3.7021      0.00000
    153       3.7526      0.00000
    154       3.7567      0.00000
    155       3.8410      0.00000
    156       3.9119      0.00000
    157       3.9140      0.00000
    158       3.9796      0.00000
    159       4.1976      0.00000
    160       4.2378      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3537      1.00000
      2     -21.5333      1.00000
      3     -21.4044      1.00000
      4     -21.4037      1.00000
      5     -21.3725      1.00000
      6     -21.3634      1.00000
      7     -21.3559      1.00000
      8     -19.6433      1.00000
      9     -19.5693      1.00000
     10     -19.5627      1.00000
     11     -19.5561      1.00000
     12     -19.5384      1.00000
     13     -19.5353      1.00000
     14     -18.7252      1.00000
     15     -18.6776      1.00000
     16     -18.6696      1.00000
     17     -18.6565      1.00000
     18     -18.6411      1.00000
     19     -18.6393      1.00000
     20     -16.5829      1.00000
     21     -16.5247      1.00000
     22     -16.5223      1.00000
     23     -16.5091      1.00000
     24     -16.4853      1.00000
     25     -16.4833      1.00000
     26     -15.5560      1.00000
     27     -15.5244      1.00000
     28     -15.5236      1.00000
     29     -15.4975      1.00000
     30     -15.4921      1.00000
     31     -15.4866      1.00000
     32     -14.2039      1.00000
     33     -14.1779      1.00000
     34     -14.1658      1.00000
     35     -14.1626      1.00000
     36     -14.1579      1.00000
     37     -14.1469      1.00000
     38     -11.8806      1.00000
     39     -11.8065      1.00000
     40     -11.7902      1.00000
     41     -11.7901      1.00000
     42     -11.7866      1.00000
     43     -11.7811      1.00000
     44     -11.7024      1.00000
     45     -11.6960      1.00000
     46     -11.6710      1.00000
     47     -11.6556      1.00000
     48     -11.6554      1.00000
     49     -11.6488      1.00000
     50     -10.6685      1.00000
     51     -10.3267      1.00000
     52     -10.3187      1.00000
     53     -10.3038      1.00000
     54     -10.3019      1.00000
     55     -10.2893      1.00000
     56     -10.2760      1.00000
     57      -9.9221      1.00000
     58      -9.3705      1.00000
     59      -9.3574      1.00000
     60      -9.2985      1.00000
     61      -9.2902      1.00000
     62      -9.2834      1.00000
     63      -9.0900      1.00000
     64      -9.0521      1.00000
     65      -9.0474      1.00000
     66      -9.0245      1.00000
     67      -9.0051      1.00000
     68      -8.9996      1.00000
     69      -8.9996      1.00000
     70      -8.9929      1.00000
     71      -8.9904      1.00000
     72      -8.9709      1.00000
     73      -8.9626      1.00000
     74      -8.9536      1.00000
     75      -8.4875      1.00000
     76      -7.5165      1.00000
     77      -7.4085      1.00000
     78      -7.4085      1.00000
     79      -7.3959      1.00000
     80      -7.3819      1.00000
     81      -7.3631      1.00000
     82      -7.3389      1.00000
     83      -7.3099      1.00000
     84      -7.2658      1.00000
     85      -7.2049      1.00000
     86      -7.1789      1.00000
     87      -7.1785      1.00000
     88      -7.0789      1.00000
     89      -6.5056      1.00000
     90      -6.4590      1.00000
     91      -6.3532      1.00000
     92      -6.2928      1.00000
     93      -6.2865      1.00000
     94      -6.2853      1.00000
     95      -5.8957      1.00000
     96      -5.8835      1.00000
     97      -5.0398      1.00000
     98      -4.9350      1.00000
     99      -4.5361      1.00000
    100      -4.3398      1.00000
    101      -4.3173      1.00000
    102      -4.3161      1.00000
    103      -4.1149      1.00000
    104      -3.9108      1.00000
    105      -3.9002      1.00000
    106      -3.8255      1.00000
    107      -1.6812      0.00000
    108      -1.6667      0.00000
    109      -1.5362      0.00000
    110      -1.5341      0.00000
    111      -1.5232      0.00000
    112      -1.5084      0.00000
    113      -0.5874      0.00000
    114       0.1346      0.00000
    115       0.2077      0.00000
    116       0.3249      0.00000
    117       0.3272      0.00000
    118       0.3343      0.00000
    119       0.4941      0.00000
    120       0.6087      0.00000
    121       1.2613      0.00000
    122       1.2853      0.00000
    123       1.5416      0.00000
    124       1.7530      0.00000
    125       1.8158      0.00000
    126       1.8196      0.00000
    127       1.8249      0.00000
    128       1.9478      0.00000
    129       1.9926      0.00000
    130       2.0318      0.00000
    131       2.0458      0.00000
    132       2.0511      0.00000
    133       2.0577      0.00000
    134       2.0655      0.00000
    135       2.3169      0.00000
    136       2.3277      0.00000
    137       2.6436      0.00000
    138       2.6532      0.00000
    139       2.6838      0.00000
    140       2.7277      0.00000
    141       2.8803      0.00000
    142       2.9911      0.00000
    143       3.0084      0.00000
    144       3.0356      0.00000
    145       3.0380      0.00000
    146       3.0385      0.00000
    147       3.0818      0.00000
    148       3.2470      0.00000
    149       3.4358      0.00000
    150       3.5522      0.00000
    151       3.7769      0.00000
    152       3.9431      0.00000
    153       3.9492      0.00000
    154       3.9554      0.00000
    155       3.9582      0.00000
    156       4.0054      0.00000
    157       4.1830      0.00000
    158       4.2663      0.00000
    159       4.2932      0.00000
    160       4.2946      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3170      1.00000
      2     -21.7585      1.00000
      3     -21.5679      1.00000
      4     -21.5353      1.00000
      5     -21.2051      1.00000
      6     -21.1604      1.00000
      7     -20.9846      1.00000
      8     -20.0990      1.00000
      9     -20.0552      1.00000
     10     -19.5438      1.00000
     11     -19.5193      1.00000
     12     -19.3467      1.00000
     13     -19.0222      1.00000
     14     -18.9873      1.00000
     15     -18.9789      1.00000
     16     -18.9669      1.00000
     17     -18.2950      1.00000
     18     -18.2759      1.00000
     19     -17.9497      1.00000
     20     -17.0070      1.00000
     21     -16.9575      1.00000
     22     -16.8764      1.00000
     23     -16.8671      1.00000
     24     -16.4028      1.00000
     25     -16.3883      1.00000
     26     -15.5493      1.00000
     27     -15.5337      1.00000
     28     -15.1952      1.00000
     29     -15.1669      1.00000
     30     -15.1125      1.00000
     31     -15.0257      1.00000
     32     -15.0007      1.00000
     33     -14.6340      1.00000
     34     -14.6224      1.00000
     35     -13.6652      1.00000
     36     -13.6499      1.00000
     37     -13.1675      1.00000
     38     -12.5489      1.00000
     39     -12.5160      1.00000
     40     -12.3887      1.00000
     41     -12.3757      1.00000
     42     -12.0551      1.00000
     43     -12.0325      1.00000
     44     -11.6567      1.00000
     45     -11.6151      1.00000
     46     -11.1784      1.00000
     47     -11.1553      1.00000
     48     -10.9623      1.00000
     49     -10.9385      1.00000
     50     -10.8708      1.00000
     51     -10.8353      1.00000
     52     -10.5987      1.00000
     53     -10.0910      1.00000
     54     -10.0864      1.00000
     55     -10.0435      1.00000
     56      -9.9679      1.00000
     57      -9.6518      1.00000
     58      -9.6272      1.00000
     59      -9.5900      1.00000
     60      -9.5275      1.00000
     61      -9.5092      1.00000
     62      -9.4776      1.00000
     63      -9.2616      1.00000
     64      -9.2390      1.00000
     65      -9.2188      1.00000
     66      -9.1645      1.00000
     67      -9.0665      1.00000
     68      -9.0448      1.00000
     69      -9.0392      1.00000
     70      -8.8806      1.00000
     71      -8.8045      1.00000
     72      -8.5732      1.00000
     73      -8.5208      1.00000
     74      -8.4537      1.00000
     75      -8.0335      1.00000
     76      -7.8087      1.00000
     77      -7.8051      1.00000
     78      -7.7907      1.00000
     79      -7.6987      1.00000
     80      -7.6889      1.00000
     81      -7.3673      1.00000
     82      -7.2713      1.00000
     83      -7.2631      1.00000
     84      -7.2160      1.00000
     85      -7.1717      1.00000
     86      -7.0079      1.00000
     87      -6.9458      1.00000
     88      -6.7442      1.00000
     89      -6.6706      1.00000
     90      -6.5931      1.00000
     91      -6.5580      1.00000
     92      -6.0489      1.00000
     93      -6.0450      1.00000
     94      -6.0201      1.00000
     95      -5.9576      1.00000
     96      -5.7350      1.00000
     97      -5.1502      1.00000
     98      -4.9872      1.00000
     99      -4.7167      1.00000
    100      -4.6100      1.00000
    101      -4.4379      1.00000
    102      -4.3723      1.00000
    103      -4.1202      1.00000
    104      -3.8667      1.00000
    105      -3.8264      1.00000
    106      -3.7893      1.00000
    107      -1.7841      0.00000
    108      -1.7381      0.00000
    109      -1.3942      0.00000
    110      -1.3451      0.00000
    111      -1.2645      0.00000
    112      -1.2253      0.00000
    113      -0.7454      0.00000
    114      -0.3796      0.00000
    115      -0.2197      0.00000
    116      -0.0197      0.00000
    117       0.5977      0.00000
    118       0.7413      0.00000
    119       0.7662      0.00000
    120       1.0510      0.00000
    121       1.1423      0.00000
    122       1.2519      0.00000
    123       1.2789      0.00000
    124       1.4225      0.00000
    125       1.4912      0.00000
    126       1.6014      0.00000
    127       1.7423      0.00000
    128       1.8401      0.00000
    129       1.8942      0.00000
    130       1.9627      0.00000
    131       2.0995      0.00000
    132       2.2547      0.00000
    133       2.2617      0.00000
    134       2.3187      0.00000
    135       2.4994      0.00000
    136       2.5855      0.00000
    137       2.6472      0.00000
    138       2.7771      0.00000
    139       2.7903      0.00000
    140       2.8106      0.00000
    141       2.8693      0.00000
    142       2.8858      0.00000
    143       2.9396      0.00000
    144       3.1130      0.00000
    145       3.2893      0.00000
    146       3.3035      0.00000
    147       3.3413      0.00000
    148       3.3668      0.00000
    149       3.4718      0.00000
    150       3.5676      0.00000
    151       3.6178      0.00000
    152       3.6740      0.00000
    153       3.7103      0.00000
    154       3.9174      0.00000
    155       3.9364      0.00000
    156       3.9915      0.00000
    157       4.0827      0.00000
    158       4.2100      0.00000
    159       4.2508      0.00000
    160       4.3012      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2113      1.00000
      2     -22.0053      1.00000
      3     -21.6465      1.00000
      4     -21.6097      1.00000
      5     -20.9103      1.00000
      6     -20.8642      1.00000
      7     -20.5430      1.00000
      8     -20.5038      1.00000
      9     -20.4935      1.00000
     10     -19.9611      1.00000
     11     -19.4399      1.00000
     12     -19.4130      1.00000
     13     -19.2393      1.00000
     14     -19.2250      1.00000
     15     -18.3816      1.00000
     16     -18.3377      1.00000
     17     -17.8578      1.00000
     18     -17.8369      1.00000
     19     -17.6954      1.00000
     20     -17.6532      1.00000
     21     -17.3699      1.00000
     22     -17.3541      1.00000
     23     -17.2722      1.00000
     24     -16.3993      1.00000
     25     -16.3847      1.00000
     26     -15.8942      1.00000
     27     -15.3503      1.00000
     28     -15.3351      1.00000
     29     -15.0326      1.00000
     30     -15.0188      1.00000
     31     -14.7974      1.00000
     32     -14.7729      1.00000
     33     -14.2199      1.00000
     34     -14.1879      1.00000
     35     -13.3690      1.00000
     36     -13.3354      1.00000
     37     -13.1178      1.00000
     38     -13.1004      1.00000
     39     -12.9138      1.00000
     40     -12.9005      1.00000
     41     -12.5547      1.00000
     42     -12.5369      1.00000
     43     -12.1311      1.00000
     44     -11.5192      1.00000
     45     -11.4719      1.00000
     46     -11.2512      1.00000
     47     -11.2179      1.00000
     48     -11.0775      1.00000
     49     -10.6551      1.00000
     50     -10.5873      1.00000
     51     -10.5203      1.00000
     52     -10.2555      1.00000
     53     -10.2472      1.00000
     54     -10.1205      1.00000
     55     -10.0470      1.00000
     56     -10.0397      1.00000
     57      -9.7667      1.00000
     58      -9.7029      1.00000
     59      -9.6783      1.00000
     60      -9.6288      1.00000
     61      -9.6243      1.00000
     62      -9.5861      1.00000
     63      -9.2923      1.00000
     64      -9.2833      1.00000
     65      -9.2514      1.00000
     66      -9.0827      1.00000
     67      -8.8951      1.00000
     68      -8.8815      1.00000
     69      -8.7229      1.00000
     70      -8.5853      1.00000
     71      -8.5124      1.00000
     72      -8.3289      1.00000
     73      -8.3008      1.00000
     74      -8.2624      1.00000
     75      -8.2314      1.00000
     76      -8.1934      1.00000
     77      -8.1847      1.00000
     78      -8.1691      1.00000
     79      -8.0951      1.00000
     80      -7.6866      1.00000
     81      -7.3592      1.00000
     82      -7.3093      1.00000
     83      -7.2645      1.00000
     84      -7.1858      1.00000
     85      -7.1251      1.00000
     86      -7.0757      1.00000
     87      -6.9055      1.00000
     88      -6.8812      1.00000
     89      -6.5478      1.00000
     90      -6.4911      1.00000
     91      -6.2083      1.00000
     92      -6.0671      1.00000
     93      -5.9396      1.00000
     94      -5.7120      1.00000
     95      -5.6315      1.00000
     96      -5.4506      1.00000
     97      -5.3031      1.00000
     98      -5.2327      1.00000
     99      -5.1509      1.00000
    100      -5.1504      1.00000
    101      -4.5184      1.00000
    102      -4.4693      1.00000
    103      -4.1396      1.00000
    104      -3.8295      1.00000
    105      -3.7557      1.00000
    106      -3.6793      1.00000
    107      -1.8699      0.00000
    108      -1.8235      0.00000
    109      -1.2770      0.00000
    110      -1.0351      0.00000
    111      -1.0113      0.00000
    112      -0.7125      0.00000
    113      -0.6391      0.00000
    114      -0.5878      0.00000
    115      -0.5455      0.00000
    116      -0.2048      0.00000
    117       0.2526      0.00000
    118       0.2791      0.00000
    119       0.7707      0.00000
    120       0.9519      0.00000
    121       1.1370      0.00000
    122       1.2333      0.00000
    123       1.3244      0.00000
    124       1.4181      0.00000
    125       1.6129      0.00000
    126       1.6362      0.00000
    127       1.7223      0.00000
    128       1.8155      0.00000
    129       1.9358      0.00000
    130       2.0353      0.00000
    131       2.0658      0.00000
    132       2.2829      0.00000
    133       2.4008      0.00000
    134       2.4509      0.00000
    135       2.5552      0.00000
    136       2.6447      0.00000
    137       2.7057      0.00000
    138       2.7759      0.00000
    139       2.8465      0.00000
    140       2.8896      0.00000
    141       3.0462      0.00000
    142       3.1043      0.00000
    143       3.2061      0.00000
    144       3.2496      0.00000
    145       3.3953      0.00000
    146       3.4319      0.00000
    147       3.4982      0.00000
    148       3.5802      0.00000
    149       3.6096      0.00000
    150       3.6322      0.00000
    151       3.6553      0.00000
    152       3.7375      0.00000
    153       3.7513      0.00000
    154       3.7620      0.00000
    155       3.8043      0.00000
    156       3.9007      0.00000
    157       3.9908      0.00000
    158       4.0165      0.00000
    159       4.1873      0.00000
    160       4.2225      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2452      1.00000
      2     -21.8909      1.00000
      3     -21.8205      1.00000
      4     -21.3090      1.00000
      5     -21.2789      1.00000
      6     -20.7678      1.00000
      7     -20.7021      1.00000
      8     -20.5536      1.00000
      9     -20.0066      1.00000
     10     -19.9987      1.00000
     11     -19.6454      1.00000
     12     -19.6211      1.00000
     13     -18.9273      1.00000
     14     -18.9183      1.00000
     15     -18.5685      1.00000
     16     -18.5543      1.00000
     17     -18.3913      1.00000
     18     -17.6122      1.00000
     19     -17.5563      1.00000
     20     -17.5512      1.00000
     21     -17.5098      1.00000
     22     -17.0538      1.00000
     23     -17.0358      1.00000
     24     -16.8898      1.00000
     25     -15.9280      1.00000
     26     -15.8647      1.00000
     27     -15.5137      1.00000
     28     -15.5135      1.00000
     29     -15.2258      1.00000
     30     -14.7925      1.00000
     31     -14.7650      1.00000
     32     -14.5128      1.00000
     33     -14.4690      1.00000
     34     -14.0996      1.00000
     35     -14.0887      1.00000
     36     -13.0747      1.00000
     37     -13.0303      1.00000
     38     -12.9643      1.00000
     39     -12.9526      1.00000
     40     -12.6433      1.00000
     41     -12.6361      1.00000
     42     -12.2717      1.00000
     43     -12.2405      1.00000
     44     -11.5849      1.00000
     45     -11.5588      1.00000
     46     -11.5042      1.00000
     47     -10.9012      1.00000
     48     -10.8489      1.00000
     49     -10.6169      1.00000
     50     -10.5573      1.00000
     51     -10.4829      1.00000
     52     -10.4318      1.00000
     53     -10.4218      1.00000
     54     -10.3694      1.00000
     55     -10.2913      1.00000
     56     -10.0623      1.00000
     57      -9.8313      1.00000
     58      -9.5455      1.00000
     59      -9.4860      1.00000
     60      -9.4664      1.00000
     61      -9.3442      1.00000
     62      -9.3287      1.00000
     63      -9.3084      1.00000
     64      -9.3063      1.00000
     65      -9.2123      1.00000
     66      -9.1100      1.00000
     67      -9.0787      1.00000
     68      -9.0479      1.00000
     69      -8.8440      1.00000
     70      -8.7909      1.00000
     71      -8.7723      1.00000
     72      -8.5253      1.00000
     73      -8.4723      1.00000
     74      -8.2171      1.00000
     75      -8.1077      1.00000
     76      -8.0978      1.00000
     77      -7.8046      1.00000
     78      -7.7810      1.00000
     79      -7.7801      1.00000
     80      -7.6712      1.00000
     81      -7.6302      1.00000
     82      -7.6284      1.00000
     83      -7.4026      1.00000
     84      -7.3229      1.00000
     85      -7.2053      1.00000
     86      -6.8378      1.00000
     87      -6.8278      1.00000
     88      -6.6580      1.00000
     89      -6.5374      1.00000
     90      -6.3426      1.00000
     91      -6.3056      1.00000
     92      -6.1829      1.00000
     93      -6.1457      1.00000
     94      -5.9762      1.00000
     95      -5.5706      1.00000
     96      -5.4243      1.00000
     97      -5.2574      1.00000
     98      -5.2444      1.00000
     99      -5.1475      1.00000
    100      -4.6941      1.00000
    101      -4.6641      1.00000
    102      -4.3486      1.00000
    103      -4.3114      1.00000
    104      -3.9621      1.00000
    105      -3.8220      1.00000
    106      -3.3896      1.00000
    107      -2.2191      0.00000
    108      -1.3755      0.00000
    109      -1.2863      0.00000
    110      -1.1728      0.00000
    111      -1.0775      0.00000
    112      -0.8931      0.00000
    113      -0.7679      0.00000
    114      -0.7567      0.00000
    115      -0.2211      0.00000
    116       0.1140      0.00000
    117       0.2640      0.00000
    118       0.3462      0.00000
    119       0.7451      0.00000
    120       0.9064      0.00000
    121       0.9741      0.00000
    122       1.1006      0.00000
    123       1.2163      0.00000
    124       1.5386      0.00000
    125       1.5861      0.00000
    126       1.7202      0.00000
    127       1.8396      0.00000
    128       1.8629      0.00000
    129       1.9441      0.00000
    130       2.0282      0.00000
    131       2.1479      0.00000
    132       2.2926      0.00000
    133       2.4054      0.00000
    134       2.4662      0.00000
    135       2.4794      0.00000
    136       2.6674      0.00000
    137       2.6873      0.00000
    138       2.7484      0.00000
    139       2.7512      0.00000
    140       2.9036      0.00000
    141       3.0379      0.00000
    142       3.0931      0.00000
    143       3.1639      0.00000
    144       3.2085      0.00000
    145       3.2545      0.00000
    146       3.2775      0.00000
    147       3.3643      0.00000
    148       3.4901      0.00000
    149       3.5517      0.00000
    150       3.7120      0.00000
    151       3.7620      0.00000
    152       3.7714      0.00000
    153       3.8269      0.00000
    154       3.8936      0.00000
    155       3.9621      0.00000
    156       3.9739      0.00000
    157       4.0003      0.00000
    158       4.0328      0.00000
    159       4.0377      0.00000
    160       4.0886      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1389      1.00000
      2     -22.0444      1.00000
      3     -21.8841      1.00000
      4     -21.3321      1.00000
      5     -20.9791      1.00000
      6     -20.9408      1.00000
      7     -20.4307      1.00000
      8     -20.3883      1.00000
      9     -20.2240      1.00000
     10     -20.2028      1.00000
     11     -19.8865      1.00000
     12     -19.8193      1.00000
     13     -18.8123      1.00000
     14     -18.7417      1.00000
     15     -18.2872      1.00000
     16     -18.2344      1.00000
     17     -18.0834      1.00000
     18     -18.0638      1.00000
     19     -17.7590      1.00000
     20     -17.7172      1.00000
     21     -17.1866      1.00000
     22     -17.1683      1.00000
     23     -17.0975      1.00000
     24     -17.0618      1.00000
     25     -16.0356      1.00000
     26     -15.8205      1.00000
     27     -15.7976      1.00000
     28     -15.7626      1.00000
     29     -15.1716      1.00000
     30     -14.4889      1.00000
     31     -14.4565      1.00000
     32     -14.2158      1.00000
     33     -13.8931      1.00000
     34     -13.8882      1.00000
     35     -13.7540      1.00000
     36     -13.7342      1.00000
     37     -13.5493      1.00000
     38     -13.5014      1.00000
     39     -13.2975      1.00000
     40     -12.5620      1.00000
     41     -12.1227      1.00000
     42     -12.0645      1.00000
     43     -12.0074      1.00000
     44     -11.9496      1.00000
     45     -11.6086      1.00000
     46     -11.5863      1.00000
     47     -11.0828      1.00000
     48     -11.0504      1.00000
     49     -10.7496      1.00000
     50     -10.6623      1.00000
     51     -10.5215      1.00000
     52     -10.1463      1.00000
     53     -10.1365      1.00000
     54     -10.0943      1.00000
     55      -9.9512      1.00000
     56      -9.9455      1.00000
     57      -9.9154      1.00000
     58      -9.7357      1.00000
     59      -9.7290      1.00000
     60      -9.6991      1.00000
     61      -9.6892      1.00000
     62      -9.4254      1.00000
     63      -9.3612      1.00000
     64      -9.0822      1.00000
     65      -9.0047      1.00000
     66      -8.9729      1.00000
     67      -8.8863      1.00000
     68      -8.8096      1.00000
     69      -8.6556      1.00000
     70      -8.6331      1.00000
     71      -8.5742      1.00000
     72      -8.4766      1.00000
     73      -8.4657      1.00000
     74      -8.3960      1.00000
     75      -8.3926      1.00000
     76      -8.1822      1.00000
     77      -8.1106      1.00000
     78      -7.9758      1.00000
     79      -7.9116      1.00000
     80      -7.8452      1.00000
     81      -7.6145      1.00000
     82      -7.5288      1.00000
     83      -7.4677      1.00000
     84      -7.2650      1.00000
     85      -6.9329      1.00000
     86      -6.8562      1.00000
     87      -6.8100      1.00000
     88      -6.5709      1.00000
     89      -6.4648      1.00000
     90      -6.4194      1.00000
     91      -6.3555      1.00000
     92      -6.0491      1.00000
     93      -5.8754      1.00000
     94      -5.7513      1.00000
     95      -5.7204      1.00000
     96      -5.4744      1.00000
     97      -5.3441      1.00000
     98      -5.1789      1.00000
     99      -5.1548      1.00000
    100      -5.1534      1.00000
    101      -4.7053      1.00000
    102      -4.4399      1.00000
    103      -4.2519      1.00000
    104      -3.9933      1.00000
    105      -3.8209      1.00000
    106      -3.1558      1.00000
    107      -2.4623      0.00000
    108      -1.3783      0.00000
    109      -1.2401      0.00000
    110      -1.1456      0.00000
    111      -1.1141      0.00000
    112      -0.5642      0.00000
    113      -0.4343      0.00000
    114      -0.4297      0.00000
    115      -0.3096      0.00000
    116      -0.1903      0.00000
    117       0.0623      0.00000
    118       0.1162      0.00000
    119       0.5410      0.00000
    120       0.6844      0.00000
    121       0.8810      0.00000
    122       0.9793      0.00000
    123       1.1207      0.00000
    124       1.5046      0.00000
    125       1.6750      0.00000
    126       1.8344      0.00000
    127       1.8927      0.00000
    128       2.0850      0.00000
    129       2.1162      0.00000
    130       2.1659      0.00000
    131       2.2197      0.00000
    132       2.3281      0.00000
    133       2.3413      0.00000
    134       2.4818      0.00000
    135       2.5639      0.00000
    136       2.6861      0.00000
    137       2.8898      0.00000
    138       2.9386      0.00000
    139       2.9768      0.00000
    140       2.9950      0.00000
    141       3.0486      0.00000
    142       3.1368      0.00000
    143       3.1651      0.00000
    144       3.2498      0.00000
    145       3.3032      0.00000
    146       3.3421      0.00000
    147       3.3542      0.00000
    148       3.3887      0.00000
    149       3.4216      0.00000
    150       3.5103      0.00000
    151       3.5614      0.00000
    152       3.6223      0.00000
    153       3.6510      0.00000
    154       3.6991      0.00000
    155       3.7248      0.00000
    156       3.9315      0.00000
    157       3.9407      0.00000
    158       4.0737      0.00000
    159       4.1144      0.00000
    160       4.2231      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2450      1.00000
      2     -21.8923      1.00000
      3     -21.8191      1.00000
      4     -21.3136      1.00000
      5     -21.2749      1.00000
      6     -20.7688      1.00000
      7     -20.7003      1.00000
      8     -20.5521      1.00000
      9     -20.0202      1.00000
     10     -19.9881      1.00000
     11     -19.6479      1.00000
     12     -19.6169      1.00000
     13     -18.9408      1.00000
     14     -18.9064      1.00000
     15     -18.5814      1.00000
     16     -18.5445      1.00000
     17     -18.3899      1.00000
     18     -17.5995      1.00000
     19     -17.5686      1.00000
     20     -17.5392      1.00000
     21     -17.5065      1.00000
     22     -17.0719      1.00000
     23     -17.0256      1.00000
     24     -16.8979      1.00000
     25     -15.9433      1.00000
     26     -15.8489      1.00000
     27     -15.5308      1.00000
     28     -15.5044      1.00000
     29     -15.2074      1.00000
     30     -14.8113      1.00000
     31     -14.7594      1.00000
     32     -14.5074      1.00000
     33     -14.4661      1.00000
     34     -14.0940      1.00000
     35     -14.0910      1.00000
     36     -13.1025      1.00000
     37     -13.0271      1.00000
     38     -12.9549      1.00000
     39     -12.9478      1.00000
     40     -12.6536      1.00000
     41     -12.6256      1.00000
     42     -12.2717      1.00000
     43     -12.2447      1.00000
     44     -11.5707      1.00000
     45     -11.5517      1.00000
     46     -11.4985      1.00000
     47     -10.8756      1.00000
     48     -10.8659      1.00000
     49     -10.6768      1.00000
     50     -10.5236      1.00000
     51     -10.5179      1.00000
     52     -10.4313      1.00000
     53     -10.4141      1.00000
     54     -10.3684      1.00000
     55     -10.2861      1.00000
     56     -10.0578      1.00000
     57      -9.8302      1.00000
     58      -9.5561      1.00000
     59      -9.4830      1.00000
     60      -9.4410      1.00000
     61      -9.3531      1.00000
     62      -9.3374      1.00000
     63      -9.3062      1.00000
     64      -9.3007      1.00000
     65      -9.2041      1.00000
     66      -9.0975      1.00000
     67      -9.0667      1.00000
     68      -9.0473      1.00000
     69      -8.8466      1.00000
     70      -8.7945      1.00000
     71      -8.7759      1.00000
     72      -8.5250      1.00000
     73      -8.4933      1.00000
     74      -8.2219      1.00000
     75      -8.1275      1.00000
     76      -8.0910      1.00000
     77      -7.8046      1.00000
     78      -7.7659      1.00000
     79      -7.7384      1.00000
     80      -7.6998      1.00000
     81      -7.6338      1.00000
     82      -7.6233      1.00000
     83      -7.3882      1.00000
     84      -7.3437      1.00000
     85      -7.2239      1.00000
     86      -6.8420      1.00000
     87      -6.8191      1.00000
     88      -6.6367      1.00000
     89      -6.5279      1.00000
     90      -6.3401      1.00000
     91      -6.2710      1.00000
     92      -6.1937      1.00000
     93      -6.1304      1.00000
     94      -6.0188      1.00000
     95      -5.6329      1.00000
     96      -5.5069      1.00000
     97      -5.2964      1.00000
     98      -5.1549      1.00000
     99      -5.0383      1.00000
    100      -4.7238      1.00000
    101      -4.6843      1.00000
    102      -4.3670      1.00000
    103      -4.1821      1.00000
    104      -4.0062      1.00000
    105      -3.8204      1.00000
    106      -3.4832      1.00000
    107      -2.1642      0.00000
    108      -1.3827      0.00000
    109      -1.2348      0.00000
    110      -1.1849      0.00000
    111      -1.0134      0.00000
    112      -0.9549      0.00000
    113      -0.7968      0.00000
    114      -0.7518      0.00000
    115      -0.3674      0.00000
    116       0.2461      0.00000
    117       0.2770      0.00000
    118       0.3641      0.00000
    119       0.7108      0.00000
    120       0.8702      0.00000
    121       0.9664      0.00000
    122       1.1337      0.00000
    123       1.2467      0.00000
    124       1.4614      0.00000
    125       1.5815      0.00000
    126       1.7843      0.00000
    127       1.8463      0.00000
    128       1.8721      0.00000
    129       2.0012      0.00000
    130       2.0395      0.00000
    131       2.1815      0.00000
    132       2.2339      0.00000
    133       2.3991      0.00000
    134       2.4215      0.00000
    135       2.5066      0.00000
    136       2.6605      0.00000
    137       2.6853      0.00000
    138       2.7427      0.00000
    139       2.7774      0.00000
    140       2.8721      0.00000
    141       2.9858      0.00000
    142       3.0901      0.00000
    143       3.1538      0.00000
    144       3.2047      0.00000
    145       3.2627      0.00000
    146       3.2955      0.00000
    147       3.3345      0.00000
    148       3.4910      0.00000
    149       3.5339      0.00000
    150       3.7167      0.00000
    151       3.7374      0.00000
    152       3.7720      0.00000
    153       3.8636      0.00000
    154       3.8779      0.00000
    155       3.9040      0.00000
    156       3.9663      0.00000
    157       4.0070      0.00000
    158       4.0374      0.00000
    159       4.0431      0.00000
    160       4.0918      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3170      1.00000
      2     -21.7588      1.00000
      3     -21.5651      1.00000
      4     -21.5382      1.00000
      5     -21.2022      1.00000
      6     -21.1638      1.00000
      7     -20.9834      1.00000
      8     -20.0960      1.00000
      9     -20.0576      1.00000
     10     -19.5438      1.00000
     11     -19.5237      1.00000
     12     -19.3426      1.00000
     13     -19.0256      1.00000
     14     -18.9860      1.00000
     15     -18.9751      1.00000
     16     -18.9696      1.00000
     17     -18.2936      1.00000
     18     -18.2802      1.00000
     19     -17.9443      1.00000
     20     -16.9982      1.00000
     21     -16.9580      1.00000
     22     -16.8805      1.00000
     23     -16.8678      1.00000
     24     -16.4136      1.00000
     25     -16.3912      1.00000
     26     -15.5385      1.00000
     27     -15.5353      1.00000
     28     -15.1710      1.00000
     29     -15.1694      1.00000
     30     -15.1287      1.00000
     31     -15.0343      1.00000
     32     -14.9989      1.00000
     33     -14.6311      1.00000
     34     -14.6244      1.00000
     35     -13.6606      1.00000
     36     -13.6510      1.00000
     37     -13.1691      1.00000
     38     -12.5708      1.00000
     39     -12.5113      1.00000
     40     -12.3835      1.00000
     41     -12.3829      1.00000
     42     -12.0336      1.00000
     43     -12.0298      1.00000
     44     -11.6524      1.00000
     45     -11.6124      1.00000
     46     -11.2037      1.00000
     47     -11.1550      1.00000
     48     -10.9529      1.00000
     49     -10.9404      1.00000
     50     -10.8582      1.00000
     51     -10.8261      1.00000
     52     -10.6203      1.00000
     53     -10.1434      1.00000
     54     -10.0823      1.00000
     55     -10.0233      1.00000
     56      -9.9432      1.00000
     57      -9.6290      1.00000
     58      -9.6276      1.00000
     59      -9.6013      1.00000
     60      -9.5385      1.00000
     61      -9.5018      1.00000
     62      -9.4774      1.00000
     63      -9.2696      1.00000
     64      -9.2337      1.00000
     65      -9.2053      1.00000
     66      -9.1773      1.00000
     67      -9.0607      1.00000
     68      -9.0452      1.00000
     69      -9.0419      1.00000
     70      -8.8751      1.00000
     71      -8.8064      1.00000
     72      -8.5313      1.00000
     73      -8.5310      1.00000
     74      -8.4942      1.00000
     75      -8.0297      1.00000
     76      -7.8303      1.00000
     77      -7.7963      1.00000
     78      -7.7726      1.00000
     79      -7.7019      1.00000
     80      -7.6827      1.00000
     81      -7.4180      1.00000
     82      -7.2859      1.00000
     83      -7.2499      1.00000
     84      -7.2013      1.00000
     85      -7.0793      1.00000
     86      -7.0774      1.00000
     87      -6.9368      1.00000
     88      -6.7088      1.00000
     89      -6.6722      1.00000
     90      -6.6280      1.00000
     91      -6.5563      1.00000
     92      -6.0699      1.00000
     93      -6.0298      1.00000
     94      -5.9995      1.00000
     95      -5.9364      1.00000
     96      -5.7977      1.00000
     97      -5.1768      1.00000
     98      -4.8918      1.00000
     99      -4.7918      1.00000
    100      -4.6102      1.00000
    101      -4.5114      1.00000
    102      -4.1381      1.00000
    103      -4.0895      1.00000
    104      -3.9296      1.00000
    105      -3.9147      1.00000
    106      -3.8197      1.00000
    107      -1.7515      0.00000
    108      -1.6959      0.00000
    109      -1.4096      0.00000
    110      -1.3701      0.00000
    111      -1.2641      0.00000
    112      -1.2350      0.00000
    113      -0.6250      0.00000
    114      -0.5979      0.00000
    115      -0.1892      0.00000
    116       0.0411      0.00000
    117       0.5936      0.00000
    118       0.7439      0.00000
    119       0.8494      0.00000
    120       0.9304      0.00000
    121       1.1679      0.00000
    122       1.2164      0.00000
    123       1.2500      0.00000
    124       1.4365      0.00000
    125       1.6027      0.00000
    126       1.6521      0.00000
    127       1.7184      0.00000
    128       1.7806      0.00000
    129       1.9188      0.00000
    130       1.9400      0.00000
    131       2.1506      0.00000
    132       2.1883      0.00000
    133       2.2668      0.00000
    134       2.3212      0.00000
    135       2.5587      0.00000
    136       2.5883      0.00000
    137       2.5937      0.00000
    138       2.7671      0.00000
    139       2.7932      0.00000
    140       2.7984      0.00000
    141       2.8945      0.00000
    142       2.9154      0.00000
    143       3.0292      0.00000
    144       3.0509      0.00000
    145       3.1171      0.00000
    146       3.3047      0.00000
    147       3.3207      0.00000
    148       3.3870      0.00000
    149       3.4822      0.00000
    150       3.5818      0.00000
    151       3.6458      0.00000
    152       3.6574      0.00000
    153       3.6837      0.00000
    154       3.9026      0.00000
    155       3.9791      0.00000
    156       4.0191      0.00000
    157       4.0908      0.00000
    158       4.2438      0.00000
    159       4.2613      0.00000
    160       4.2713      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1380      1.00000
      2     -22.0457      1.00000
      3     -21.8836      1.00000
      4     -21.3330      1.00000
      5     -20.9742      1.00000
      6     -20.9449      1.00000
      7     -20.4255      1.00000
      8     -20.3936      1.00000
      9     -20.2140      1.00000
     10     -20.2116      1.00000
     11     -19.8853      1.00000
     12     -19.8217      1.00000
     13     -18.8152      1.00000
     14     -18.7446      1.00000
     15     -18.2638      1.00000
     16     -18.2494      1.00000
     17     -18.0784      1.00000
     18     -18.0713      1.00000
     19     -17.7440      1.00000
     20     -17.7280      1.00000
     21     -17.1928      1.00000
     22     -17.1693      1.00000
     23     -17.0873      1.00000
     24     -17.0659      1.00000
     25     -16.0514      1.00000
     26     -15.8062      1.00000
     27     -15.7967      1.00000
     28     -15.7754      1.00000
     29     -15.1577      1.00000
     30     -14.4833      1.00000
     31     -14.4622      1.00000
     32     -14.2027      1.00000
     33     -13.9143      1.00000
     34     -13.8849      1.00000
     35     -13.7571      1.00000
     36     -13.7371      1.00000
     37     -13.5345      1.00000
     38     -13.5083      1.00000
     39     -13.2990      1.00000
     40     -12.5741      1.00000
     41     -12.0995      1.00000
     42     -12.0750      1.00000
     43     -11.9963      1.00000
     44     -11.9487      1.00000
     45     -11.6038      1.00000
     46     -11.5963      1.00000
     47     -11.0824      1.00000
     48     -11.0589      1.00000
     49     -10.7293      1.00000
     50     -10.6624      1.00000
     51     -10.5534      1.00000
     52     -10.1379      1.00000
     53     -10.1335      1.00000
     54     -10.0989      1.00000
     55      -9.9642      1.00000
     56      -9.9237      1.00000
     57      -9.9198      1.00000
     58      -9.7492      1.00000
     59      -9.7274      1.00000
     60      -9.6958      1.00000
     61      -9.6926      1.00000
     62      -9.3974      1.00000
     63      -9.3868      1.00000
     64      -9.0654      1.00000
     65      -8.9802      1.00000
     66      -8.9798      1.00000
     67      -8.9042      1.00000
     68      -8.8105      1.00000
     69      -8.6480      1.00000
     70      -8.6320      1.00000
     71      -8.5434      1.00000
     72      -8.4996      1.00000
     73      -8.4810      1.00000
     74      -8.3923      1.00000
     75      -8.3813      1.00000
     76      -8.2075      1.00000
     77      -8.0989      1.00000
     78      -8.0050      1.00000
     79      -7.8992      1.00000
     80      -7.8410      1.00000
     81      -7.6202      1.00000
     82      -7.5313      1.00000
     83      -7.4557      1.00000
     84      -7.2608      1.00000
     85      -6.9410      1.00000
     86      -6.8677      1.00000
     87      -6.8088      1.00000
     88      -6.4768      1.00000
     89      -6.4671      1.00000
     90      -6.4080      1.00000
     91      -6.3582      1.00000
     92      -6.1842      1.00000
     93      -5.8568      1.00000
     94      -5.7365      1.00000
     95      -5.7099      1.00000
     96      -5.5206      1.00000
     97      -5.3279      1.00000
     98      -5.1713      1.00000
     99      -5.1662      1.00000
    100      -5.1327      1.00000
    101      -4.6949      1.00000
    102      -4.3478      1.00000
    103      -4.2758      1.00000
    104      -4.0259      1.00000
    105      -3.8218      1.00000
    106      -3.2320      1.00000
    107      -2.4052      0.00000
    108      -1.3447      0.00000
    109      -1.2428      0.00000
    110      -1.1534      0.00000
    111      -1.1078      0.00000
    112      -0.5833      0.00000
    113      -0.5205      0.00000
    114      -0.4335      0.00000
    115      -0.2740      0.00000
    116      -0.0716      0.00000
    117      -0.0110      0.00000
    118       0.0601      0.00000
    119       0.5845      0.00000
    120       0.7107      0.00000
    121       0.8190      0.00000
    122       0.9538      0.00000
    123       1.1939      0.00000
    124       1.5301      0.00000
    125       1.6273      0.00000
    126       1.8828      0.00000
    127       2.0218      0.00000
    128       2.0580      0.00000
    129       2.0912      0.00000
    130       2.1357      0.00000
    131       2.2293      0.00000
    132       2.2870      0.00000
    133       2.3382      0.00000
    134       2.4271      0.00000
    135       2.6101      0.00000
    136       2.7144      0.00000
    137       2.8445      0.00000
    138       2.9153      0.00000
    139       2.9444      0.00000
    140       3.0149      0.00000
    141       3.0535      0.00000
    142       3.1249      0.00000
    143       3.1741      0.00000
    144       3.2240      0.00000
    145       3.3088      0.00000
    146       3.3198      0.00000
    147       3.3616      0.00000
    148       3.3808      0.00000
    149       3.4343      0.00000
    150       3.4558      0.00000
    151       3.5635      0.00000
    152       3.6102      0.00000
    153       3.6542      0.00000
    154       3.6991      0.00000
    155       3.8694      0.00000
    156       3.9080      0.00000
    157       3.9455      0.00000
    158       3.9660      0.00000
    159       4.1769      0.00000
    160       4.2046      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2109      1.00000
      2     -22.0059      1.00000
      3     -21.6437      1.00000
      4     -21.6128      1.00000
      5     -20.9073      1.00000
      6     -20.8670      1.00000
      7     -20.5367      1.00000
      8     -20.5045      1.00000
      9     -20.4978      1.00000
     10     -19.9603      1.00000
     11     -19.4386      1.00000
     12     -19.4166      1.00000
     13     -19.2377      1.00000
     14     -19.2307      1.00000
     15     -18.3739      1.00000
     16     -18.3393      1.00000
     17     -17.8567      1.00000
     18     -17.8408      1.00000
     19     -17.6892      1.00000
     20     -17.6538      1.00000
     21     -17.3702      1.00000
     22     -17.3562      1.00000
     23     -17.2658      1.00000
     24     -16.4112      1.00000
     25     -16.3880      1.00000
     26     -15.9025      1.00000
     27     -15.3414      1.00000
     28     -15.3366      1.00000
     29     -15.0290      1.00000
     30     -15.0194      1.00000
     31     -14.7750      1.00000
     32     -14.7727      1.00000
     33     -14.2357      1.00000
     34     -14.1852      1.00000
     35     -13.3857      1.00000
     36     -13.3317      1.00000
     37     -13.1092      1.00000
     38     -13.1013      1.00000
     39     -12.9155      1.00000
     40     -12.9100      1.00000
     41     -12.5436      1.00000
     42     -12.5361      1.00000
     43     -12.1319      1.00000
     44     -11.5114      1.00000
     45     -11.4673      1.00000
     46     -11.2425      1.00000
     47     -11.2111      1.00000
     48     -11.0845      1.00000
     49     -10.7007      1.00000
     50     -10.5935      1.00000
     51     -10.5064      1.00000
     52     -10.2499      1.00000
     53     -10.2458      1.00000
     54     -10.1194      1.00000
     55     -10.0521      1.00000
     56     -10.0376      1.00000
     57      -9.7819      1.00000
     58      -9.6854      1.00000
     59      -9.6720      1.00000
     60      -9.6361      1.00000
     61      -9.6264      1.00000
     62      -9.5843      1.00000
     63      -9.2937      1.00000
     64      -9.2820      1.00000
     65      -9.2508      1.00000
     66      -9.0599      1.00000
     67      -8.8934      1.00000
     68      -8.8824      1.00000
     69      -8.7171      1.00000
     70      -8.5771      1.00000
     71      -8.5240      1.00000
     72      -8.3486      1.00000
     73      -8.3033      1.00000
     74      -8.2420      1.00000
     75      -8.2368      1.00000
     76      -8.1929      1.00000
     77      -8.1806      1.00000
     78      -8.1677      1.00000
     79      -8.1018      1.00000
     80      -7.6875      1.00000
     81      -7.4229      1.00000
     82      -7.3415      1.00000
     83      -7.2581      1.00000
     84      -7.1676      1.00000
     85      -7.1088      1.00000
     86      -7.0047      1.00000
     87      -6.9022      1.00000
     88      -6.8476      1.00000
     89      -6.5405      1.00000
     90      -6.4973      1.00000
     91      -6.2068      1.00000
     92      -6.2001      1.00000
     93      -5.8936      1.00000
     94      -5.6717      1.00000
     95      -5.6047      1.00000
     96      -5.5790      1.00000
     97      -5.2523      1.00000
     98      -5.2303      1.00000
     99      -5.1636      1.00000
    100      -5.1335      1.00000
    101      -4.5986      1.00000
    102      -4.2461      1.00000
    103      -4.0424      1.00000
    104      -3.8834      1.00000
    105      -3.8358      1.00000
    106      -3.7979      1.00000
    107      -1.8077      0.00000
    108      -1.7808      0.00000
    109      -1.2248      0.00000
    110      -1.1743      0.00000
    111      -0.9734      0.00000
    112      -0.7341      0.00000
    113      -0.6493      0.00000
    114      -0.5934      0.00000
    115      -0.5489      0.00000
    116      -0.1550      0.00000
    117       0.1767      0.00000
    118       0.2885      0.00000
    119       0.7159      0.00000
    120       0.9586      0.00000
    121       1.1720      0.00000
    122       1.2779      0.00000
    123       1.3545      0.00000
    124       1.5253      0.00000
    125       1.6178      0.00000
    126       1.6375      0.00000
    127       1.6963      0.00000
    128       1.7773      0.00000
    129       1.8752      0.00000
    130       2.0416      0.00000
    131       2.1640      0.00000
    132       2.2862      0.00000
    133       2.4197      0.00000
    134       2.4208      0.00000
    135       2.5742      0.00000
    136       2.6397      0.00000
    137       2.6932      0.00000
    138       2.6965      0.00000
    139       2.7724      0.00000
    140       2.9106      0.00000
    141       3.0553      0.00000
    142       3.0740      0.00000
    143       3.2002      0.00000
    144       3.2905      0.00000
    145       3.4024      0.00000
    146       3.4214      0.00000
    147       3.4650      0.00000
    148       3.5452      0.00000
    149       3.5849      0.00000
    150       3.6415      0.00000
    151       3.6735      0.00000
    152       3.7021      0.00000
    153       3.7526      0.00000
    154       3.7567      0.00000
    155       3.8410      0.00000
    156       3.9119      0.00000
    157       3.9139      0.00000
    158       3.9796      0.00000
    159       4.1976      0.00000
    160       4.2379      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0405   -7.2566    3.9831   -1.1308   -0.1847   17.3739    0.4929   -0.8149    0.7705   -0.4755
x    -3.1262   -0.0251   -0.0204   -0.0266    0.0917   -3.0544    0.0301   -0.0244    0.0083    0.0018
x    -0.0953   -0.0029    0.0036   -0.0031    0.0021   -0.0242    0.0000    0.0000   -0.0001    0.0001
x    -0.0035   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0405    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0035    0.0000    0.0004    0.0007    0.0028   -0.0985   -0.0313    0.0617    0.0184
y     0.0229   -3.2425   -0.1795    0.1694   -2.4141   -0.6652
z   204.0405    1.7374    0.2873    0.0905   -0.0015    0.0776   -0.0019    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1044    0.0015   -0.0009   -0.0001    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0013   -0.0001    0.0001    0.0000
z    -0.0001    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  -16.6831
z     0.1430    0.2288   -0.0326    0.0570   -0.0904    0.0006
 total charge-density along one line
x   212.0000  -10.0876    5.9300   -1.9397   -0.4203   19.2925   -0.6567    0.2078    0.0651   -0.1046
x    -2.7068   -0.0088    0.0022   -0.0459    0.0978   -2.3459    0.0476   -0.0343    0.0116    0.0024
x    -0.0853   -0.0056    0.0083   -0.0079    0.0053   -0.0374    0.0000   -0.0001    0.0004   -0.0004
x    -0.0054    0.0000   -0.0002    0.0001    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  -10.0876    5.9300   -1.9397   -0.4203   19.2925   -0.6567    0.2078    0.0651   -0.1046
y    -2.7068   -0.0088    0.0022   -0.0459    0.0978   -2.3459    0.0476   -0.0343    0.0116    0.0024
y    -0.0853   -0.0056    0.0083   -0.0079    0.0053   -0.0374    0.0000   -0.0001    0.0004   -0.0004
y    -0.0054    0.0000   -0.0002    0.0001    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 -205.2916  188.8330 -170.1278  154.0797 -140.4398  126.5505 -111.0538   94.7512  -79.0551
z    64.6699  -51.7322   40.5128  -31.4884   24.7907  -19.8749   15.8690  -12.2086    8.8948   -6.2096
z     4.2840   -2.9561    1.9596   -1.1520    0.5432   -0.1593   -0.0595    0.2226   -0.3869    0.5211
z    -0.5679    0.5218   -0.4377    0.3749   -0.3477    0.3298   -0.2950    0.2447   -0.1970    0.1640
z    -0.1413    0.1193   -0.0954    0.0744   -0.0608    0.0532   -0.0467    0.0389   -0.0312    0.0257
z    -0.0226    0.0202   -0.0173    0.0140   -0.0113    0.0093   -0.0075    0.0058   -0.0043    0.0031
z    -0.0022    0.0013   -0.0004   -0.0002    0.0004   -0.0004    0.0005   -0.0008    0.0008   -0.0007
z     0.0004   -0.0002    0.0001   -0.0001    0.0000    0.0002   -0.0003    0.0003   -0.0003    0.0003
z    -0.0003    0.0003   -0.0002    0.0002   -0.0002    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001
z     0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 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
-10.938   0.000   0.042   0.000   0.003   0.199   0.000  -0.006
  0.000 -11.267   0.000  -0.102   0.000   0.000   0.239   0.000
  0.042   0.000 -11.241   0.000  -0.024  -0.006   0.000   0.237
  0.000  -0.102   0.000 -11.149   0.000   0.000   0.012   0.000
  0.003   0.000  -0.024   0.000 -10.935   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.237   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.225   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.198   0.000   0.000   0.000
  0.036   0.000   0.100   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.026   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.938   0.000   0.042   0.000   0.003   0.199   0.000  -0.006
  0.000 -11.267   0.000  -0.102   0.000   0.000   0.239   0.000
  0.042   0.000 -11.241   0.000  -0.024  -0.006   0.000   0.237
  0.000  -0.102   0.000 -11.149   0.000   0.000   0.012   0.000
  0.003   0.000  -0.024   0.000 -10.935   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.237   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.225   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.198   0.000   0.000   0.000
  0.036   0.000   0.100   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.026   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.960   0.000  -0.027   0.000   0.002   0.022   0.000   0.058   0.000  -0.014  -0.027   0.025   0.000   0.000   0.000   0.000
  0.000   1.585   0.000  -0.148   0.000   0.000   0.596   0.000   0.262   0.000   0.000   0.000   0.161   0.000   0.107  -0.035
 -0.027   0.000   1.790   0.000   0.019   0.044   0.000   0.352   0.000  -0.027  -0.231  -0.042   0.000   0.096   0.000   0.000
  0.000  -0.148   0.000   1.756   0.000   0.000   0.262   0.000   0.294   0.000   0.000   0.000   0.109   0.000   0.039   0.005
  0.002   0.000   0.019   0.000   1.966  -0.014   0.000  -0.036   0.000   0.004   0.011  -0.015   0.000   0.003   0.000   0.000
  0.022   0.000   0.044   0.000  -0.014   0.064   0.000   0.102   0.000  -0.025   0.195  -0.053   0.000   0.116   0.000   0.000
  0.000   0.596   0.000   0.262   0.000   0.000   0.330   0.000   0.108   0.000   0.000   0.000   0.058   0.000   0.066  -0.011
  0.058   0.000   0.352   0.000  -0.036   0.102   0.000   0.556   0.000  -0.058   0.697  -0.290   0.000   0.088   0.000   0.000
  0.000   0.262   0.000   0.294   0.000   0.000   0.108   0.000   0.206   0.000   0.000   0.000   0.065   0.000  -0.019  -0.006
 -0.014   0.000  -0.027   0.000   0.004  -0.025   0.000  -0.058   0.000   0.036  -0.111   0.031   0.000  -0.068   0.000   0.000
 -0.027   0.000  -0.231   0.000   0.011   0.195   0.000   0.697   0.000  -0.111   1.352  -0.432   0.000   0.268   0.000   0.000
  0.025   0.000  -0.042   0.000  -0.015  -0.053   0.000  -0.290   0.000   0.031  -0.432   0.191   0.000  -0.035   0.000   0.000
  0.000   0.161   0.000   0.109   0.000   0.000   0.058   0.000   0.065   0.000   0.000   0.000   0.044   0.000   0.012  -0.004
  0.000   0.000   0.096   0.000   0.003   0.116   0.000   0.088   0.000  -0.068   0.268  -0.035   0.000   0.307   0.000   0.000
  0.000   0.107   0.000   0.039   0.000   0.000   0.066   0.000  -0.019   0.000   0.000   0.000   0.012   0.000   0.031  -0.002
  0.000  -0.035   0.000   0.005   0.000   0.000  -0.011   0.000  -0.006   0.000   0.000   0.000  -0.004   0.000  -0.002   0.001
  0.002   0.000  -0.037   0.000  -0.001  -0.005   0.000  -0.009   0.000   0.003  -0.007   0.000   0.000  -0.014   0.000   0.000
  0.000   0.005   0.000  -0.041   0.000   0.000  -0.006   0.000  -0.004   0.000   0.000   0.000  -0.002   0.000  -0.002   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        0.639   0.275   8.027   8.941
  2        0.514   0.028   0.000   0.542
  3        0.514   0.028   0.000   0.542
  4        0.864   1.783   0.000   2.646
  5        0.864   1.782   0.000   2.646
  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   2.647
  9        0.864   1.783   0.000   2.646
 10        0.864   1.784   0.000   2.647
 11        0.863   1.782   0.000   2.646
 12        0.864   1.784   0.000   2.648
 13        0.864   1.782   0.000   2.646
 14        0.864   1.784   0.000   2.647
 15        0.864   1.784   0.000   2.648
 16        0.863   1.777   0.000   2.640
 17        0.856   1.772   0.000   2.629
 18        0.864   1.784   0.000   2.647
 19        0.864   1.782   0.000   2.646
 20        0.864   1.782   0.000   2.645
 21        0.863   1.781   0.000   2.644
 22        0.863   1.776   0.000   2.639
 23        0.863   1.783   0.000   2.646
 24        0.864   1.783   0.000   2.646
 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   1.783   0.000   2.647
 29        0.864   1.783   0.000   2.646
 30        0.864   1.783   0.000   2.647
 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   1.782   0.000   2.646
 35        0.863   1.783   0.000   2.646
 36        0.863   1.776   0.000   2.639
 37        0.863   1.781   0.000   2.644
 38        0.864   1.782   0.000   2.645
 39        0.864   1.784   0.000   2.647
 40        0.864   1.784   0.000   2.647
 41        0.856   1.772   0.000   2.629
 42        0.863   1.777   0.000   2.640
 43        0.864   1.784   0.000   2.648
 44        0.864   1.783   0.000   2.646
 45        0.864   1.782   0.000   2.646
 46        0.864   1.784   0.000   2.648
 47        0.863   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   1.783   0.000   2.647
 51        0.864   1.783   0.000   2.647
 52        0.864   1.782   0.000   2.646
 53        0.864   1.782   0.000   2.646
------------------------------------------------
tot       44.831  89.423   8.027 142.281
 


 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   90.31: CPU time   51.95
    FORLOC:  VPU time    1.09: CPU time    1.09
    FORNL :  VPU time  364.11: CPU time  182.46
    STRESS:  VPU time 1095.29: CPU time  550.52
    FORCOR:  VPU time    7.44: CPU time    7.44
    FORHAR:  VPU time    1.97: CPU time    1.97
    MIXING:  VPU time    0.13: CPU time    0.14
 d Force = 0.4363542E-05[ 0.504E-05, 0.369E-05]  d Energy =-0.2289098E-04 0.273E-04
 d Force = 0.2280124E+00[ 0.228E+00, 0.228E+00]  d Ewald  = 0.2621494E+01-0.239E+01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.644913 eV

  energy  without entropy=     -471.644913  energy(sigma->0) =     -471.644913
 

  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    40713.83  40730.81 -47415.19     14.71      0.00      0.00
  Hartree  40179.72  40183.49 -39433.99      3.27      0.00      0.00
  E(xc)     -779.72   -779.52   -807.25      0.17      0.00      0.00
  Local   -83186.78 -83201.31  84166.50    -12.58      0.00      0.00
  n-local   -215.77   -215.69   -203.83     -0.18      0.00      0.00
  augment     22.10     20.52     17.37     -1.37      0.00      0.00
  Kinetic   3168.48   3171.15   3582.00     -6.15      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.44     -0.39     -0.47      0.04      0.00      0.00
  in kB       -0.26     -0.23     -0.28      0.03      0.00      0.00
  external pressure =       -0.26 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
    12.348332599  0.001446365  0.000000000     0.080977119  0.046739583  0.000000000
    -6.172920354 10.694688959  0.000000000    -0.000010951  0.093498035  0.000000000
     0.000000000  0.000000000 19.974647792     0.000000000  0.000000000  0.050063461

  length of vectors
    12.348332684 12.348332584 19.974647792     0.093498034  0.093498035  0.050063461


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.403E-05 -.457E-04 -.959E+03   0.429E-05 -.274E-04 0.967E+03   -.947E-22 0.164E-20 -.795E+01   -.170E-07 0.122E-07 -.326E-02
   -.176E+02 -.305E+02 -.136E+03   0.184E+02 0.319E+02 0.138E+03   -.832E+00 -.144E+01 -.258E+01   -.825E-04 -.144E-03 -.193E-02
   0.176E+02 0.305E+02 -.136E+03   -.184E+02 -.319E+02 0.138E+03   0.832E+00 0.144E+01 -.258E+01   0.825E-04 0.144E-03 -.193E-02
   -.198E+01 0.115E+01 0.173E+02   0.199E+01 -.115E+01 -.173E+02   -.890E-02 0.514E-02 -.646E-02   0.581E-04 -.365E-04 0.246E-02
   0.579E+01 0.687E+01 0.200E+02   -.579E+01 -.691E+01 -.200E+02   0.619E-02 0.341E-01 -.167E-01   0.131E-03 -.801E-04 0.190E-02
   0.112E+02 0.507E+01 0.184E+02   -.112E+02 -.508E+01 -.183E+02   0.262E-01 0.815E-02 -.525E-01   0.136E-03 -.344E-03 0.361E-03
   0.453E+01 -.987E+00 0.163E+02   -.455E+01 0.100E+01 -.163E+02   0.183E-01 -.204E-01 -.244E-02   0.289E-03 -.393E-03 -.811E-04
   -.292E+01 -.241E+01 0.151E+02   0.294E+01 0.243E+01 -.151E+02   -.150E-01 -.147E-01 -.650E-03   0.220E-03 -.190E-03 0.114E-02
   0.625E+00 0.374E+01 0.151E+02   -.633E+00 -.376E+01 -.151E+02   0.524E-02 0.203E-01 -.650E-03   0.269E-03 -.102E-03 0.114E-02
   0.271E+01 0.182E+02 0.246E+02   -.272E+01 -.183E+02 -.246E+02   0.978E-02 0.109E+00 -.915E-02   0.150E-03 -.684E-03 0.354E-03
   0.214E+02 0.226E+02 0.395E+02   -.215E+02 -.228E+02 -.395E+02   0.118E+00 0.229E+00 -.204E-01   0.161E-03 -.421E-03 0.115E-03
   0.264E+02 -.448E+01 0.268E+02   -.267E+02 0.460E+01 -.267E+02   0.238E+00 -.118E+00 -.598E-01   -.317E-03 0.119E-03 -.272E-03
   0.918E+01 -.530E+01 0.156E+02   -.920E+01 0.531E+01 -.156E+02   0.139E-01 -.805E-02 0.479E-02   -.324E-03 0.181E-03 0.492E-03
   0.312E+01 -.343E+01 0.163E+02   -.314E+01 0.344E+01 -.163E+02   0.268E-01 -.565E-02 -.244E-02   0.483E-03 -.582E-04 -.895E-04
   -.606E+01 0.132E+02 0.198E+02   0.607E+01 -.132E+02 -.198E+02   -.314E-02 0.754E-01 -.126E-01   0.488E-03 -.390E-03 -.132E-03
   -.122E+02 0.334E+02 0.459E+02   0.123E+02 -.341E+02 -.463E+02   -.922E-01 0.677E+00 0.348E+00   0.220E-03 -.768E-03 -.245E-03
   0.263E+02 -.152E+02 0.695E+02   -.272E+02 0.157E+02 -.716E+02   0.962E+00 -.555E+00 0.209E+01   -.496E-03 0.284E-03 -.288E-02
   0.171E+02 -.207E+02 0.268E+02   -.173E+02 0.208E+02 -.267E+02   0.222E+00 -.147E+00 -.598E-01   -.263E-03 0.207E-03 -.277E-03
   0.122E+01 -.122E+02 0.184E+02   -.122E+01 0.123E+02 -.183E+02   0.605E-02 -.268E-01 -.525E-01   0.369E-03 0.531E-04 0.355E-03
   -.389E+01 0.152E+01 0.145E+02   0.389E+01 -.151E+01 -.144E+02   -.767E-02 0.570E-02 -.413E-01   0.464E-03 -.467E-04 0.655E-03
   -.182E+02 0.105E+02 0.210E+02   0.182E+02 -.105E+02 -.209E+02   -.626E-01 0.362E-01 -.125E+00   -.752E-05 0.796E-05 -.541E-03
   -.350E+02 -.610E+01 0.459E+02   0.357E+02 0.636E+01 -.463E+02   -.633E+00 -.259E+00 0.348E+00   0.778E-03 0.192E-03 -.242E-03
   -.883E+01 -.298E+02 0.395E+02   0.897E+01 0.300E+02 -.395E+02   -.139E+00 -.217E+00 -.204E-01   0.448E-03 0.672E-04 0.114E-03
   -.306E+01 -.845E+01 0.200E+02   0.308E+01 0.847E+01 -.200E+02   -.264E-01 -.224E-01 -.167E-01   0.136E-03 -.751E-04 0.189E-02
   0.126E+01 -.728E+00 0.149E+02   -.126E+01 0.727E+00 -.148E+02   -.156E-02 0.899E-03 -.320E-01   0.133E-03 -.747E-04 0.188E-02
   -.326E+01 0.261E+01 0.145E+02   0.326E+01 -.262E+01 -.144E+02   -.877E-02 0.379E-02 -.413E-01   0.274E-03 -.374E-03 0.660E-03
   -.144E+02 -.134E+01 0.198E+02   0.145E+02 0.137E+01 -.198E+02   -.669E-01 -.350E-01 -.126E-01   0.584E-03 -.229E-03 -.124E-03
   -.144E+02 -.114E+02 0.246E+02   0.145E+02 0.115E+02 -.246E+02   -.892E-01 -.628E-01 -.915E-02   0.670E-03 0.207E-03 0.357E-03
   0.306E+01 0.845E+01 0.200E+02   -.308E+01 -.847E+01 -.200E+02   0.264E-01 0.224E-01 -.167E-01   -.137E-03 0.751E-04 0.189E-02
   0.144E+02 0.114E+02 0.246E+02   -.145E+02 -.115E+02 -.246E+02   0.892E-01 0.628E-01 -.915E-02   -.670E-03 -.207E-03 0.357E-03
   0.144E+02 0.134E+01 0.198E+02   -.145E+02 -.137E+01 -.198E+02   0.669E-01 0.350E-01 -.126E-01   -.584E-03 0.229E-03 -.124E-03
   0.326E+01 -.261E+01 0.145E+02   -.326E+01 0.262E+01 -.144E+02   0.877E-02 -.379E-02 -.413E-01   -.274E-03 0.374E-03 0.660E-03
   -.126E+01 0.728E+00 0.149E+02   0.126E+01 -.727E+00 -.148E+02   0.156E-02 -.899E-03 -.320E-01   -.133E-03 0.747E-04 0.188E-02
   -.122E+01 0.122E+02 0.184E+02   0.122E+01 -.123E+02 -.183E+02   -.605E-02 0.268E-01 -.525E-01   -.369E-03 -.531E-04 0.355E-03
   0.883E+01 0.298E+02 0.395E+02   -.897E+01 -.300E+02 -.395E+02   0.139E+00 0.217E+00 -.204E-01   -.449E-03 -.671E-04 0.114E-03
   0.350E+02 0.610E+01 0.459E+02   -.357E+02 -.636E+01 -.463E+02   0.633E+00 0.259E+00 0.348E+00   -.778E-03 -.192E-03 -.242E-03
   0.182E+02 -.105E+02 0.210E+02   -.182E+02 0.105E+02 -.209E+02   0.626E-01 -.362E-01 -.125E+00   0.756E-05 -.798E-05 -.541E-03
   0.389E+01 -.152E+01 0.145E+02   -.389E+01 0.151E+01 -.144E+02   0.767E-02 -.570E-02 -.413E-01   -.464E-03 0.467E-04 0.655E-03
   -.312E+01 0.343E+01 0.163E+02   0.314E+01 -.344E+01 -.163E+02   -.268E-01 0.565E-02 -.244E-02   -.483E-03 0.582E-04 -.895E-04
   -.171E+02 0.207E+02 0.268E+02   0.173E+02 -.208E+02 -.267E+02   -.222E+00 0.147E+00 -.598E-01   0.263E-03 -.208E-03 -.277E-03
   -.263E+02 0.152E+02 0.695E+02   0.272E+02 -.157E+02 -.716E+02   -.962E+00 0.555E+00 0.209E+01   0.496E-03 -.284E-03 -.288E-02
   0.122E+02 -.334E+02 0.459E+02   -.123E+02 0.341E+02 -.463E+02   0.922E-01 -.677E+00 0.348E+00   -.220E-03 0.768E-03 -.245E-03
   0.606E+01 -.132E+02 0.198E+02   -.607E+01 0.132E+02 -.198E+02   0.314E-02 -.754E-01 -.126E-01   -.488E-03 0.390E-03 -.132E-03
   -.625E+00 -.374E+01 0.151E+02   0.633E+00 0.376E+01 -.151E+02   -.524E-02 -.203E-01 -.650E-03   -.269E-03 0.102E-03 0.114E-02
   -.918E+01 0.530E+01 0.156E+02   0.920E+01 -.531E+01 -.156E+02   -.139E-01 0.805E-02 0.479E-02   0.324E-03 -.181E-03 0.492E-03
   -.264E+02 0.448E+01 0.268E+02   0.267E+02 -.460E+01 -.267E+02   -.238E+00 0.118E+00 -.598E-01   0.317E-03 -.119E-03 -.272E-03
   -.214E+02 -.226E+02 0.395E+02   0.215E+02 0.228E+02 -.395E+02   -.118E+00 -.229E+00 -.204E-01   -.161E-03 0.422E-03 0.115E-03
   -.271E+01 -.182E+02 0.246E+02   0.272E+01 0.183E+02 -.246E+02   -.978E-02 -.109E+00 -.915E-02   -.150E-03 0.684E-03 0.354E-03
   0.198E+01 -.115E+01 0.173E+02   -.199E+01 0.115E+01 -.173E+02   0.890E-02 -.514E-02 -.646E-02   -.582E-04 0.365E-04 0.246E-02
   0.292E+01 0.241E+01 0.151E+02   -.294E+01 -.243E+01 -.151E+02   0.150E-01 0.147E-01 -.650E-03   -.220E-03 0.190E-03 0.114E-02
   -.453E+01 0.987E+00 0.163E+02   0.455E+01 -.100E+01 -.163E+02   -.183E-01 0.204E-01 -.244E-02   -.289E-03 0.393E-03 -.811E-04
   -.112E+02 -.507E+01 0.184E+02   0.112E+02 0.508E+01 -.183E+02   -.262E-01 -.815E-02 -.525E-01   -.136E-03 0.344E-03 0.361E-03
   -.579E+01 -.687E+01 0.200E+02   0.579E+01 0.691E+01 -.200E+02   -.619E-02 -.341E-01 -.167E-01   -.131E-03 0.801E-04 0.190E-02
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.306E-03 0.870E+01   0.170E-12 0.995E-13 0.586E-12   -.446E-15 -.278E-15 -.872E+01   -.287E-07 0.180E-07 0.109E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85296      6.06095     12.33774         0.000000      0.000000     -0.026308
      2.26204      6.76951     13.65407         0.004846      0.008393      0.015045
      1.44387      5.35239     13.65407        -0.004846     -0.008393      0.015045
      0.00057     -0.00033      9.95491         0.001075     -0.000621     -0.003415
     11.11295      2.13918      9.95687        -0.000400      0.001826     -0.000639
      9.87727      4.27889      9.96968         0.003271     -0.003975      0.001030
      8.64393      6.41836      9.96913        -0.004463     -0.007559      0.000072
     -4.93668      8.55579      9.96391        -0.001483      0.001850     -0.001482
      2.47046     -0.00117      9.96391        -0.002344      0.000359     -0.001482
      1.23476      2.13615      9.96941         0.001688     -0.004775     -0.000883
     -0.00409      4.27491      9.99879         0.003549      0.003623     -0.002031
     -1.23863      6.41618     10.00453         0.004937     -0.000819     -0.000611
     -2.46727      8.55523      9.97678        -0.008382      0.004839      0.001506
      4.93892      0.00110      9.96913         0.004315      0.007644      0.000072
      3.70502      2.13649      9.97739         0.005263      0.001082     -0.001130
      2.47078      4.26331     10.04190         0.000170     -0.002614      0.003093
      1.22851      6.42147     10.11285        -0.003001      0.001732      0.009309
     -0.00047      8.56073     10.00453         0.003178     -0.003866     -0.000611
      7.40843      0.00273      9.96968         0.005078     -0.000845      0.001030
      6.17379      2.13996      9.96969        -0.000904      0.009213     -0.000868
      4.94057      4.27831      9.99839        -0.000216      0.000125      0.000520
      3.71867      6.42472     10.04190         0.002348      0.001160      0.003093
      2.47119      8.56222      9.99879        -0.001363     -0.004885     -0.002031
      9.87931      0.00245      9.95687        -0.001781     -0.000567     -0.000639
      8.64324      2.14058      9.95999         0.000265     -0.000153     -0.002915
      7.40905      4.27949      9.96969        -0.008431     -0.003824     -0.000868
      6.17767      6.41925      9.97739         0.001694     -0.005099     -0.001130
      4.94283      8.55873      9.96941         0.004979      0.000926     -0.000883
     -0.00048      1.42477      9.95687         0.001781      0.000567     -0.000639
     -1.23692      3.56317      9.96941        -0.004979     -0.000926     -0.000883
     -2.47176      5.70265      9.97739        -0.001694      0.005099     -0.001130
     -3.70314      7.84241      9.96969         0.008431      0.003824     -0.000868
     -4.93733      9.98132      9.95999        -0.000265      0.000153     -0.002915
      2.47040      1.42448      9.96968        -0.005078      0.000845      0.001030
      1.23472      3.55968      9.99879         0.001363      0.004885     -0.002031
     -0.01276      5.69718     10.04190        -0.002348     -0.001160      0.003093
     -1.23466      7.84359      9.99839         0.000216     -0.000125      0.000520
     -2.46788      9.98194      9.96969         0.000904     -0.009213     -0.000868
      4.93991      1.42612      9.96913        -0.004315     -0.007644      0.000072
      3.70639      3.56117     10.00453        -0.003178      0.003866     -0.000611
      2.47740      5.70043     10.11285         0.003001     -0.001732      0.009309
      1.23513      7.85859     10.04190        -0.000170      0.002614      0.003093
      0.00089      9.98541      9.97739        -0.005263     -0.001082     -0.001130
      7.40837      1.42838      9.96391         0.002344     -0.000359     -0.001482
      6.17318      3.56667      9.97678         0.008382     -0.004839      0.001506
      4.94454      5.70572     10.00453        -0.004937      0.000819     -0.000611
      3.71000      7.84699      9.99879        -0.003549     -0.003623     -0.002031
      2.47116      9.98575      9.96941        -0.001688      0.004775     -0.000883
      9.87827      1.42754      9.95491        -0.001075      0.000621     -0.003415
      8.64259      3.56611      9.96391         0.001483     -0.001850     -0.001482
      7.41032      5.70499      9.96913         0.004463      0.007559      0.000072
      6.17698      7.84446      9.96968        -0.003271      0.003975      0.001030
      4.94129      9.98417      9.95687         0.000400     -0.001826     -0.000639
 -----------------------------------------------------------------------------------
    total drift:                               -0.001814      0.000306     -0.009116


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


 Conjugate gradient step on ions:
 trial-energy change:    0.000023  1 .order   -0.000009   -0.000012   -0.000006
  (g-gl).g = 0.254E-03      g.g   = 0.252E-03  gl.gl    = 0.868E-04
 g(Force)  = 0.191E-03   g(Stress)= 0.604E-04 ortho     =-0.347E-05
 gamma     =   2.92299
 trial     =   0.04957
 opt step  =   0.10465  (harmonic =   0.10465) maximal distance =0.00041505
 next E    =  -471.644949   (d E  =  -0.00001)


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


    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  150.59: CPU time   75.38
     LOOP+:  VPU time 4339.95: CPU time 2224.04


----------------------------------------- Iteration   28(   1)  ---------------------------------------


    POTLOK:  VPU time    7.75: CPU time    7.74
    SETDIJ:  VPU time    0.28: CPU time    0.29
    EDDAV :  VPU time 1355.78: CPU time  692.15
 BZINTS: Fermi energy: -3.149077;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   90.36: CPU time   45.52
    MIXING:  VPU time    0.13: CPU time    0.12
    ------------------------------------------
      LOOP:  VPU time 1454.35: CPU time  745.85

 eigenvalue-minimisations  :  5376
 total energy-change (2. order) :-0.4716449E+03  (-0.6397401E-04)
 number of electron  212.0000031 magnetization    0.0000000
 augmentation part     7.9594334 magnetization   -0.0000006

 Broyden mixing:
  rms(total) = 0.73811E-03    rms(broyden)= 0.73791E-03
  rms(prec ) = 0.85898E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34026.56588288
  -1/2 Hartree   DENC   =    -40927.08301467
  -V(xc)+E(xc)   XCENC  =       726.57640601
  PAW double counting   =      4092.13839565    -4130.50911823
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2464.77331494
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64490969 eV

  energy without entropy =     -471.64490969  energy(sigma->0) =     -471.64490969


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




----------------------------------------- Iteration   28(   2)  ---------------------------------------


    POTLOK:  VPU time    7.73: CPU time    7.73
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1180.68: CPU time  603.07
 BZINTS: Fermi energy: -3.148994;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1188.73: CPU time  611.12

 eigenvalue-minimisations  :  4400
 total energy-change (2. order) : 0.2568093E-05  (-0.1369263E-05)
 number of electron  212.0000031 magnetization    0.0000000
 augmentation part     7.9594334 magnetization   -0.0000006

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34026.56588288
  -1/2 Hartree   DENC   =    -40926.96187030
  -V(xc)+E(xc)   XCENC  =       726.57346220
  PAW double counting   =      4092.07780584    -4130.44837683
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2464.89166450
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64490712 eV

  energy without entropy =     -471.64490712  energy(sigma->0) =     -471.64490712


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




 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 -58.5323       2 -39.9766       3 -39.9766       4 -58.2444       5 -58.2489
       6 -58.2561       7 -58.2467       8 -58.2451       9 -58.2451      10 -58.2609
      11 -58.3158      12 -58.2925      13 -58.2499      14 -58.2467      15 -58.2577
      16 -58.4374      17 -58.7302      18 -58.2925      19 -58.2561      20 -58.2503
      21 -58.2774      22 -58.4374      23 -58.3158      24 -58.2489      25 -58.2440
      26 -58.2503      27 -58.2578      28 -58.2609      29 -58.2488      30 -58.2608
      31 -58.2576      32 -58.2503      33 -58.2439      34 -58.2560      35 -58.3157
      36 -58.4373      37 -58.2773      38 -58.2503      39 -58.2466      40 -58.2924
      41 -58.7301      42 -58.4373      43 -58.2576      44 -58.2450      45 -58.2498
      46 -58.2924      47 -58.3157      48 -58.2608      49 -58.2443      50 -58.2450
      51 -58.2466      52 -58.2560      53 -58.2488
 
 
 
 E-fermi :  -3.1490     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     -22.3540      1.00000
      2     -21.5336      1.00000
      3     -21.4047      1.00000
      4     -21.4041      1.00000
      5     -21.3728      1.00000
      6     -21.3638      1.00000
      7     -21.3563      1.00000
      8     -19.6437      1.00000
      9     -19.5698      1.00000
     10     -19.5631      1.00000
     11     -19.5565      1.00000
     12     -19.5388      1.00000
     13     -19.5357      1.00000
     14     -18.7257      1.00000
     15     -18.6781      1.00000
     16     -18.6701      1.00000
     17     -18.6569      1.00000
     18     -18.6415      1.00000
     19     -18.6398      1.00000
     20     -16.5834      1.00000
     21     -16.5253      1.00000
     22     -16.5228      1.00000
     23     -16.5097      1.00000
     24     -16.4859      1.00000
     25     -16.4838      1.00000
     26     -15.5564      1.00000
     27     -15.5248      1.00000
     28     -15.5241      1.00000
     29     -15.4979      1.00000
     30     -15.4926      1.00000
     31     -15.4871      1.00000
     32     -14.2044      1.00000
     33     -14.1784      1.00000
     34     -14.1663      1.00000
     35     -14.1632      1.00000
     36     -14.1584      1.00000
     37     -14.1474      1.00000
     38     -11.8812      1.00000
     39     -11.8071      1.00000
     40     -11.7909      1.00000
     41     -11.7908      1.00000
     42     -11.7872      1.00000
     43     -11.7818      1.00000
     44     -11.7029      1.00000
     45     -11.6965      1.00000
     46     -11.6715      1.00000
     47     -11.6561      1.00000
     48     -11.6560      1.00000
     49     -11.6493      1.00000
     50     -10.6686      1.00000
     51     -10.3272      1.00000
     52     -10.3193      1.00000
     53     -10.3043      1.00000
     54     -10.3024      1.00000
     55     -10.2898      1.00000
     56     -10.2766      1.00000
     57      -9.9222      1.00000
     58      -9.3707      1.00000
     59      -9.3577      1.00000
     60      -9.2988      1.00000
     61      -9.2906      1.00000
     62      -9.2837      1.00000
     63      -9.0906      1.00000
     64      -9.0526      1.00000
     65      -9.0480      1.00000
     66      -9.0252      1.00000
     67      -9.0058      1.00000
     68      -9.0003      1.00000
     69      -9.0002      1.00000
     70      -8.9935      1.00000
     71      -8.9911      1.00000
     72      -8.9716      1.00000
     73      -8.9633      1.00000
     74      -8.9543      1.00000
     75      -8.4871      1.00000
     76      -7.5170      1.00000
     77      -7.4092      1.00000
     78      -7.4092      1.00000
     79      -7.3963      1.00000
     80      -7.3826      1.00000
     81      -7.3638      1.00000
     82      -7.3397      1.00000
     83      -7.3104      1.00000
     84      -7.2660      1.00000
     85      -7.2053      1.00000
     86      -7.1793      1.00000
     87      -7.1788      1.00000
     88      -7.0795      1.00000
     89      -6.5060      1.00000
     90      -6.4594      1.00000
     91      -6.3536      1.00000
     92      -6.2932      1.00000
     93      -6.2869      1.00000
     94      -6.2857      1.00000
     95      -5.8965      1.00000
     96      -5.8843      1.00000
     97      -5.0401      1.00000
     98      -4.9355      1.00000
     99      -4.5365      1.00000
    100      -4.3403      1.00000
    101      -4.3179      1.00000
    102      -4.3166      1.00000
    103      -4.1153      1.00000
    104      -3.9112      1.00000
    105      -3.9006      1.00000
    106      -3.8256      1.00000
    107      -1.6818      0.00000
    108      -1.6673      0.00000
    109      -1.5368      0.00000
    110      -1.5347      0.00000
    111      -1.5238      0.00000
    112      -1.5090      0.00000
    113      -0.5878      0.00000
    114       0.1340      0.00000
    115       0.2070      0.00000
    116       0.3242      0.00000
    117       0.3265      0.00000
    118       0.3336      0.00000
    119       0.4935      0.00000
    120       0.6099      0.00000
    121       1.2616      0.00000
    122       1.2890      0.00000
    123       1.5438      0.00000
    124       1.7545      0.00000
    125       1.8171      0.00000
    126       1.8208      0.00000
    127       1.8263      0.00000
    128       1.9473      0.00000
    129       1.9934      0.00000
    130       2.0310      0.00000
    131       2.0450      0.00000
    132       2.0503      0.00000
    133       2.0572      0.00000
    134       2.0659      0.00000
    135       2.3184      0.00000
    136       2.3297      0.00000
    137       2.6489      0.00000
    138       2.6574      0.00000
    139       2.6894      0.00000
    140       2.7352      0.00000
    141       2.8864      0.00000
    142       2.9939      0.00000
    143       3.0118      0.00000
    144       3.0368      0.00000
    145       3.0389      0.00000
    146       3.0400      0.00000
    147       3.0858      0.00000
    148       3.2508      0.00000
    149       3.4403      0.00000
    150       3.5574      0.00000
    151       3.7820      0.00000
    152       3.9484      0.00000
    153       3.9602      0.00000
    154       3.9653      0.00000
    155       3.9672      0.00000
    156       4.0089      0.00000
    157       4.1862      0.00000
    158       4.2681      0.00000
    159       4.2941      0.00000
    160       4.2955      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3174      1.00000
      2     -21.7588      1.00000
      3     -21.5683      1.00000
      4     -21.5357      1.00000
      5     -21.2054      1.00000
      6     -21.1608      1.00000
      7     -20.9850      1.00000
      8     -20.0994      1.00000
      9     -20.0556      1.00000
     10     -19.5442      1.00000
     11     -19.5197      1.00000
     12     -19.3471      1.00000
     13     -19.0226      1.00000
     14     -18.9877      1.00000
     15     -18.9794      1.00000
     16     -18.9674      1.00000
     17     -18.2955      1.00000
     18     -18.2764      1.00000
     19     -17.9502      1.00000
     20     -17.0075      1.00000
     21     -16.9580      1.00000
     22     -16.8769      1.00000
     23     -16.8676      1.00000
     24     -16.4033      1.00000
     25     -16.3889      1.00000
     26     -15.5498      1.00000
     27     -15.5342      1.00000
     28     -15.1957      1.00000
     29     -15.1674      1.00000
     30     -15.1130      1.00000
     31     -15.0262      1.00000
     32     -15.0013      1.00000
     33     -14.6345      1.00000
     34     -14.6229      1.00000
     35     -13.6658      1.00000
     36     -13.6505      1.00000
     37     -13.1681      1.00000
     38     -12.5495      1.00000
     39     -12.5166      1.00000
     40     -12.3892      1.00000
     41     -12.3762      1.00000
     42     -12.0557      1.00000
     43     -12.0331      1.00000
     44     -11.6572      1.00000
     45     -11.6156      1.00000
     46     -11.1790      1.00000
     47     -11.1559      1.00000
     48     -10.9629      1.00000
     49     -10.9390      1.00000
     50     -10.8713      1.00000
     51     -10.8358      1.00000
     52     -10.5988      1.00000
     53     -10.0916      1.00000
     54     -10.0870      1.00000
     55     -10.0440      1.00000
     56      -9.9682      1.00000
     57      -9.6523      1.00000
     58      -9.6278      1.00000
     59      -9.5904      1.00000
     60      -9.5279      1.00000
     61      -9.5098      1.00000
     62      -9.4780      1.00000
     63      -9.2620      1.00000
     64      -9.2396      1.00000
     65      -9.2193      1.00000
     66      -9.1651      1.00000
     67      -9.0668      1.00000
     68      -9.0454      1.00000
     69      -9.0399      1.00000
     70      -8.8808      1.00000
     71      -8.8052      1.00000
     72      -8.5736      1.00000
     73      -8.5215      1.00000
     74      -8.4537      1.00000
     75      -8.0342      1.00000
     76      -7.8089      1.00000
     77      -7.8054      1.00000
     78      -7.7913      1.00000
     79      -7.6993      1.00000
     80      -7.6895      1.00000
     81      -7.3679      1.00000
     82      -7.2719      1.00000
     83      -7.2638      1.00000
     84      -7.2165      1.00000
     85      -7.1721      1.00000
     86      -7.0083      1.00000
     87      -6.9465      1.00000
     88      -6.7446      1.00000
     89      -6.6710      1.00000
     90      -6.5935      1.00000
     91      -6.5584      1.00000
     92      -6.0496      1.00000
     93      -6.0454      1.00000
     94      -6.0206      1.00000
     95      -5.9583      1.00000
     96      -5.7354      1.00000
     97      -5.1505      1.00000
     98      -4.9877      1.00000
     99      -4.7172      1.00000
    100      -4.6105      1.00000
    101      -4.4383      1.00000
    102      -4.3728      1.00000
    103      -4.1206      1.00000
    104      -3.8671      1.00000
    105      -3.8265      1.00000
    106      -3.7897      1.00000
    107      -1.7847      0.00000
    108      -1.7387      0.00000
    109      -1.3947      0.00000
    110      -1.3457      0.00000
    111      -1.2651      0.00000
    112      -1.2259      0.00000
    113      -0.7460      0.00000
    114      -0.3802      0.00000
    115      -0.2203      0.00000
    116      -0.0203      0.00000
    117       0.5982      0.00000
    118       0.7413      0.00000
    119       0.7657      0.00000
    120       1.0506      0.00000
    121       1.1417      0.00000
    122       1.2516      0.00000
    123       1.2804      0.00000
    124       1.4244      0.00000
    125       1.4924      0.00000
    126       1.6037      0.00000
    127       1.7448      0.00000
    128       1.8406      0.00000
    129       1.8939      0.00000
    130       1.9627      0.00000
    131       2.0998      0.00000
    132       2.2562      0.00000
    133       2.2643      0.00000
    134       2.3232      0.00000
    135       2.5019      0.00000
    136       2.5889      0.00000
    137       2.6517      0.00000
    138       2.7819      0.00000
    139       2.7933      0.00000
    140       2.8130      0.00000
    141       2.8705      0.00000
    142       2.8859      0.00000
    143       2.9412      0.00000
    144       3.1176      0.00000
    145       3.2942      0.00000
    146       3.3083      0.00000
    147       3.3438      0.00000
    148       3.3691      0.00000
    149       3.4765      0.00000
    150       3.5717      0.00000
    151       3.6227      0.00000
    152       3.6801      0.00000
    153       3.7153      0.00000
    154       3.9230      0.00000
    155       3.9391      0.00000
    156       3.9942      0.00000
    157       4.0847      0.00000
    158       4.2150      0.00000
    159       4.2595      0.00000
    160       4.3038      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2116      1.00000
      2     -22.0056      1.00000
      3     -21.6469      1.00000
      4     -21.6101      1.00000
      5     -20.9106      1.00000
      6     -20.8645      1.00000
      7     -20.5434      1.00000
      8     -20.5042      1.00000
      9     -20.4939      1.00000
     10     -19.9615      1.00000
     11     -19.4403      1.00000
     12     -19.4134      1.00000
     13     -19.2397      1.00000
     14     -19.2254      1.00000
     15     -18.3820      1.00000
     16     -18.3381      1.00000
     17     -17.8582      1.00000
     18     -17.8374      1.00000
     19     -17.6959      1.00000
     20     -17.6536      1.00000
     21     -17.3704      1.00000
     22     -17.3546      1.00000
     23     -17.2727      1.00000
     24     -16.3998      1.00000
     25     -16.3852      1.00000
     26     -15.8946      1.00000
     27     -15.3507      1.00000
     28     -15.3356      1.00000
     29     -15.0331      1.00000
     30     -15.0193      1.00000
     31     -14.7979      1.00000
     32     -14.7734      1.00000
     33     -14.2204      1.00000
     34     -14.1885      1.00000
     35     -13.3696      1.00000
     36     -13.3360      1.00000
     37     -13.1183      1.00000
     38     -13.1010      1.00000
     39     -12.9143      1.00000
     40     -12.9009      1.00000
     41     -12.5553      1.00000
     42     -12.5375      1.00000
     43     -12.1317      1.00000
     44     -11.5198      1.00000
     45     -11.4725      1.00000
     46     -11.2517      1.00000
     47     -11.2185      1.00000
     48     -11.0781      1.00000
     49     -10.6555      1.00000
     50     -10.5880      1.00000
     51     -10.5206      1.00000
     52     -10.2561      1.00000
     53     -10.2478      1.00000
     54     -10.1208      1.00000
     55     -10.0476      1.00000
     56     -10.0403      1.00000
     57      -9.7670      1.00000
     58      -9.7035      1.00000
     59      -9.6788      1.00000
     60      -9.6295      1.00000
     61      -9.6249      1.00000
     62      -9.5864      1.00000
     63      -9.2929      1.00000
     64      -9.2839      1.00000
     65      -9.2520      1.00000
     66      -9.0829      1.00000
     67      -8.8957      1.00000
     68      -8.8820      1.00000
     69      -8.7232      1.00000
     70      -8.5855      1.00000
     71      -8.5131      1.00000
     72      -8.3293      1.00000
     73      -8.3011      1.00000
     74      -8.2630      1.00000
     75      -8.2320      1.00000
     76      -8.1941      1.00000
     77      -8.1854      1.00000
     78      -8.1698      1.00000
     79      -8.0951      1.00000
     80      -7.6869      1.00000
     81      -7.3599      1.00000
     82      -7.3100      1.00000
     83      -7.2651      1.00000
     84      -7.1864      1.00000
     85      -7.1256      1.00000
     86      -7.0760      1.00000
     87      -6.9059      1.00000
     88      -6.8816      1.00000
     89      -6.5485      1.00000
     90      -6.4918      1.00000
     91      -6.2090      1.00000
     92      -6.0675      1.00000
     93      -5.9401      1.00000
     94      -5.7124      1.00000
     95      -5.6319      1.00000
     96      -5.4510      1.00000
     97      -5.3035      1.00000
     98      -5.2332      1.00000
     99      -5.1514      1.00000
    100      -5.1509      1.00000
    101      -4.5188      1.00000
    102      -4.4697      1.00000
    103      -4.1400      1.00000
    104      -3.8296      1.00000
    105      -3.7561      1.00000
    106      -3.6798      1.00000
    107      -1.8705      0.00000
    108      -1.8240      0.00000
    109      -1.2775      0.00000
    110      -1.0357      0.00000
    111      -1.0119      0.00000
    112      -0.7130      0.00000
    113      -0.6398      0.00000
    114      -0.5884      0.00000
    115      -0.5462      0.00000
    116      -0.2053      0.00000
    117       0.2519      0.00000
    118       0.2784      0.00000
    119       0.7716      0.00000
    120       0.9526      0.00000
    121       1.1371      0.00000
    122       1.2334      0.00000
    123       1.3248      0.00000
    124       1.4192      0.00000
    125       1.6140      0.00000
    126       1.6358      0.00000
    127       1.7262      0.00000
    128       1.8178      0.00000
    129       1.9381      0.00000
    130       2.0386      0.00000
    131       2.0673      0.00000
    132       2.2836      0.00000
    133       2.4008      0.00000
    134       2.4540      0.00000
    135       2.5579      0.00000
    136       2.6474      0.00000
    137       2.7082      0.00000
    138       2.7787      0.00000
    139       2.8489      0.00000
    140       2.8947      0.00000
    141       3.0525      0.00000
    142       3.1064      0.00000
    143       3.2096      0.00000
    144       3.2529      0.00000
    145       3.3979      0.00000
    146       3.4335      0.00000
    147       3.5044      0.00000
    148       3.5868      0.00000
    149       3.6138      0.00000
    150       3.6334      0.00000
    151       3.6559      0.00000
    152       3.7400      0.00000
    153       3.7535      0.00000
    154       3.7644      0.00000
    155       3.8073      0.00000
    156       3.9036      0.00000
    157       3.9938      0.00000
    158       4.0197      0.00000
    159       4.1923      0.00000
    160       4.2236      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2455      1.00000
      2     -21.8912      1.00000
      3     -21.8209      1.00000
      4     -21.3094      1.00000
      5     -21.2793      1.00000
      6     -20.7682      1.00000
      7     -20.7025      1.00000
      8     -20.5539      1.00000
      9     -20.0070      1.00000
     10     -19.9991      1.00000
     11     -19.6458      1.00000
     12     -19.6215      1.00000
     13     -18.9277      1.00000
     14     -18.9188      1.00000
     15     -18.5689      1.00000
     16     -18.5548      1.00000
     17     -18.3918      1.00000
     18     -17.6127      1.00000
     19     -17.5568      1.00000
     20     -17.5517      1.00000
     21     -17.5102      1.00000
     22     -17.0543      1.00000
     23     -17.0363      1.00000
     24     -16.8904      1.00000
     25     -15.9286      1.00000
     26     -15.8651      1.00000
     27     -15.5142      1.00000
     28     -15.5140      1.00000
     29     -15.2264      1.00000
     30     -14.7930      1.00000
     31     -14.7655      1.00000
     32     -14.5133      1.00000
     33     -14.4695      1.00000
     34     -14.1002      1.00000
     35     -14.0892      1.00000
     36     -13.0753      1.00000
     37     -13.0307      1.00000
     38     -12.9649      1.00000
     39     -12.9531      1.00000
     40     -12.6438      1.00000
     41     -12.6367      1.00000
     42     -12.2722      1.00000
     43     -12.2410      1.00000
     44     -11.5855      1.00000
     45     -11.5594      1.00000
     46     -11.5047      1.00000
     47     -10.9018      1.00000
     48     -10.8495      1.00000
     49     -10.6172      1.00000
     50     -10.5579      1.00000
     51     -10.4833      1.00000
     52     -10.4324      1.00000
     53     -10.4224      1.00000
     54     -10.3700      1.00000
     55     -10.2918      1.00000
     56     -10.0625      1.00000
     57      -9.8315      1.00000
     58      -9.5461      1.00000
     59      -9.4866      1.00000
     60      -9.4666      1.00000
     61      -9.3449      1.00000
     62      -9.3293      1.00000
     63      -9.3090      1.00000
     64      -9.3069      1.00000
     65      -9.2126      1.00000
     66      -9.1106      1.00000
     67      -9.0794      1.00000
     68      -9.0485      1.00000
     69      -8.8443      1.00000
     70      -8.7916      1.00000
     71      -8.7728      1.00000
     72      -8.5256      1.00000
     73      -8.4725      1.00000
     74      -8.2171      1.00000
     75      -8.1083      1.00000
     76      -8.0985      1.00000
     77      -7.8050      1.00000
     78      -7.7816      1.00000
     79      -7.7807      1.00000
     80      -7.6715      1.00000
     81      -7.6309      1.00000
     82      -7.6290      1.00000
     83      -7.4030      1.00000
     84      -7.3233      1.00000
     85      -7.2058      1.00000
     86      -6.8385      1.00000
     87      -6.8285      1.00000
     88      -6.6584      1.00000
     89      -6.5378      1.00000
     90      -6.3433      1.00000
     91      -6.3061      1.00000
     92      -6.1833      1.00000
     93      -6.1464      1.00000
     94      -5.9767      1.00000
     95      -5.5710      1.00000
     96      -5.4248      1.00000
     97      -5.2578      1.00000
     98      -5.2448      1.00000
     99      -5.1480      1.00000
    100      -4.6946      1.00000
    101      -4.6646      1.00000
    102      -4.3490      1.00000
    103      -4.3118      1.00000
    104      -3.9626      1.00000
    105      -3.8221      1.00000
    106      -3.3902      1.00000
    107      -2.2197      0.00000
    108      -1.3760      0.00000
    109      -1.2868      0.00000
    110      -1.1735      0.00000
    111      -1.0781      0.00000
    112      -0.8937      0.00000
    113      -0.7686      0.00000
    114      -0.7573      0.00000
    115      -0.2216      0.00000
    116       0.1133      0.00000
    117       0.2634      0.00000
    118       0.3455      0.00000
    119       0.7461      0.00000
    120       0.9059      0.00000
    121       0.9737      0.00000
    122       1.1013      0.00000
    123       1.2176      0.00000
    124       1.5393      0.00000
    125       1.5905      0.00000
    126       1.7226      0.00000
    127       1.8391      0.00000
    128       1.8625      0.00000
    129       1.9462      0.00000
    130       2.0321      0.00000
    131       2.1489      0.00000
    132       2.2971      0.00000
    133       2.4068      0.00000
    134       2.4675      0.00000
    135       2.4817      0.00000
    136       2.6668      0.00000
    137       2.6878      0.00000
    138       2.7504      0.00000
    139       2.7563      0.00000
    140       2.9079      0.00000
    141       3.0399      0.00000
    142       3.0973      0.00000
    143       3.1675      0.00000
    144       3.2108      0.00000
    145       3.2590      0.00000
    146       3.2831      0.00000
    147       3.3710      0.00000
    148       3.4940      0.00000
    149       3.5549      0.00000
    150       3.7143      0.00000
    151       3.7644      0.00000
    152       3.7710      0.00000
    153       3.8303      0.00000
    154       3.8981      0.00000
    155       3.9654      0.00000
    156       3.9760      0.00000
    157       4.0032      0.00000
    158       4.0386      0.00000
    159       4.0415      0.00000
    160       4.0887      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1392      1.00000
      2     -22.0447      1.00000
      3     -21.8844      1.00000
      4     -21.3324      1.00000
      5     -20.9795      1.00000
      6     -20.9412      1.00000
      7     -20.4311      1.00000
      8     -20.3887      1.00000
      9     -20.2244      1.00000
     10     -20.2032      1.00000
     11     -19.8869      1.00000
     12     -19.8197      1.00000
     13     -18.8128      1.00000
     14     -18.7422      1.00000
     15     -18.2877      1.00000
     16     -18.2348      1.00000
     17     -18.0839      1.00000
     18     -18.0643      1.00000
     19     -17.7595      1.00000
     20     -17.7176      1.00000
     21     -17.1871      1.00000
     22     -17.1688      1.00000
     23     -17.0980      1.00000
     24     -17.0623      1.00000
     25     -16.0360      1.00000
     26     -15.8210      1.00000
     27     -15.7981      1.00000
     28     -15.7632      1.00000
     29     -15.1722      1.00000
     30     -14.4895      1.00000
     31     -14.4571      1.00000
     32     -14.2163      1.00000
     33     -13.8936      1.00000
     34     -13.8888      1.00000
     35     -13.7546      1.00000
     36     -13.7349      1.00000
     37     -13.5499      1.00000
     38     -13.5019      1.00000
     39     -13.2979      1.00000
     40     -12.5625      1.00000
     41     -12.1233      1.00000
     42     -12.0651      1.00000
     43     -12.0079      1.00000
     44     -11.9501      1.00000
     45     -11.6092      1.00000
     46     -11.5869      1.00000
     47     -11.0835      1.00000
     48     -11.0510      1.00000
     49     -10.7502      1.00000
     50     -10.6629      1.00000
     51     -10.5217      1.00000
     52     -10.1468      1.00000
     53     -10.1370      1.00000
     54     -10.0946      1.00000
     55      -9.9517      1.00000
     56      -9.9459      1.00000
     57      -9.9159      1.00000
     58      -9.7363      1.00000
     59      -9.7295      1.00000
     60      -9.6997      1.00000
     61      -9.6899      1.00000
     62      -9.4257      1.00000
     63      -9.3617      1.00000
     64      -9.0824      1.00000
     65      -9.0052      1.00000
     66      -8.9735      1.00000
     67      -8.8869      1.00000
     68      -8.8099      1.00000
     69      -8.6561      1.00000
     70      -8.6337      1.00000
     71      -8.5745      1.00000
     72      -8.4773      1.00000
     73      -8.4662      1.00000
     74      -8.3967      1.00000
     75      -8.3932      1.00000
     76      -8.1825      1.00000
     77      -8.1108      1.00000
     78      -7.9762      1.00000
     79      -7.9117      1.00000
     80      -7.8459      1.00000
     81      -7.6147      1.00000
     82      -7.5292      1.00000
     83      -7.4684      1.00000
     84      -7.2656      1.00000
     85      -6.9336      1.00000
     86      -6.8570      1.00000
     87      -6.8107      1.00000
     88      -6.5713      1.00000
     89      -6.4656      1.00000
     90      -6.4201      1.00000
     91      -6.3559      1.00000
     92      -6.0495      1.00000
     93      -5.8758      1.00000
     94      -5.7518      1.00000
     95      -5.7208      1.00000
     96      -5.4748      1.00000
     97      -5.3445      1.00000
     98      -5.1793      1.00000
     99      -5.1552      1.00000
    100      -5.1539      1.00000
    101      -4.7058      1.00000
    102      -4.4403      1.00000
    103      -4.2522      1.00000
    104      -3.9937      1.00000
    105      -3.8209      1.00000
    106      -3.1564      1.00000
    107      -2.4629      0.00000
    108      -1.3788      0.00000
    109      -1.2407      0.00000
    110      -1.1462      0.00000
    111      -1.1147      0.00000
    112      -0.5647      0.00000
    113      -0.4350      0.00000
    114      -0.4303      0.00000
    115      -0.3103      0.00000
    116      -0.1910      0.00000
    117       0.0616      0.00000
    118       0.1156      0.00000
    119       0.5404      0.00000
    120       0.6838      0.00000
    121       0.8820      0.00000
    122       0.9804      0.00000
    123       1.1219      0.00000
    124       1.5060      0.00000
    125       1.6784      0.00000
    126       1.8398      0.00000
    127       1.8957      0.00000
    128       2.0865      0.00000
    129       2.1197      0.00000
    130       2.1674      0.00000
    131       2.2205      0.00000
    132       2.3289      0.00000
    133       2.3407      0.00000
    134       2.4828      0.00000
    135       2.5646      0.00000
    136       2.6886      0.00000
    137       2.8908      0.00000
    138       2.9381      0.00000
    139       2.9794      0.00000
    140       3.0048      0.00000
    141       3.0551      0.00000
    142       3.1392      0.00000
    143       3.1677      0.00000
    144       3.2566      0.00000
    145       3.3050      0.00000
    146       3.3435      0.00000
    147       3.3543      0.00000
    148       3.3897      0.00000
    149       3.4245      0.00000
    150       3.5127      0.00000
    151       3.5636      0.00000
    152       3.6253      0.00000
    153       3.6537      0.00000
    154       3.7019      0.00000
    155       3.7275      0.00000
    156       3.9340      0.00000
    157       3.9471      0.00000
    158       4.0765      0.00000
    159       4.1182      0.00000
    160       4.2274      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2453      1.00000
      2     -21.8926      1.00000
      3     -21.8195      1.00000
      4     -21.3139      1.00000
      5     -21.2753      1.00000
      6     -20.7692      1.00000
      7     -20.7006      1.00000
      8     -20.5524      1.00000
      9     -20.0205      1.00000
     10     -19.9885      1.00000
     11     -19.6483      1.00000
     12     -19.6174      1.00000
     13     -18.9412      1.00000
     14     -18.9068      1.00000
     15     -18.5818      1.00000
     16     -18.5449      1.00000
     17     -18.3903      1.00000
     18     -17.5999      1.00000
     19     -17.5691      1.00000
     20     -17.5397      1.00000
     21     -17.5071      1.00000
     22     -17.0724      1.00000
     23     -17.0261      1.00000
     24     -16.8985      1.00000
     25     -15.9438      1.00000
     26     -15.8493      1.00000
     27     -15.5312      1.00000
     28     -15.5049      1.00000
     29     -15.2079      1.00000
     30     -14.8118      1.00000
     31     -14.7600      1.00000
     32     -14.5080      1.00000
     33     -14.4667      1.00000
     34     -14.0945      1.00000
     35     -14.0916      1.00000
     36     -13.1030      1.00000
     37     -13.0276      1.00000
     38     -12.9554      1.00000
     39     -12.9484      1.00000
     40     -12.6542      1.00000
     41     -12.6262      1.00000
     42     -12.2722      1.00000
     43     -12.2452      1.00000
     44     -11.5713      1.00000
     45     -11.5523      1.00000
     46     -11.4990      1.00000
     47     -10.8762      1.00000
     48     -10.8665      1.00000
     49     -10.6772      1.00000
     50     -10.5242      1.00000
     51     -10.5184      1.00000
     52     -10.4319      1.00000
     53     -10.4146      1.00000
     54     -10.3690      1.00000
     55     -10.2867      1.00000
     56     -10.0580      1.00000
     57      -9.8304      1.00000
     58      -9.5567      1.00000
     59      -9.4836      1.00000
     60      -9.4414      1.00000
     61      -9.3537      1.00000
     62      -9.3381      1.00000
     63      -9.3068      1.00000
     64      -9.3012      1.00000
     65      -9.2044      1.00000
     66      -9.0982      1.00000
     67      -9.0674      1.00000
     68      -9.0479      1.00000
     69      -8.8468      1.00000
     70      -8.7951      1.00000
     71      -8.7764      1.00000
     72      -8.5253      1.00000
     73      -8.4935      1.00000
     74      -8.2220      1.00000
     75      -8.1281      1.00000
     76      -8.0916      1.00000
     77      -7.8052      1.00000
     78      -7.7666      1.00000
     79      -7.7388      1.00000
     80      -7.7000      1.00000
     81      -7.6345      1.00000
     82      -7.6240      1.00000
     83      -7.3886      1.00000
     84      -7.3441      1.00000
     85      -7.2245      1.00000
     86      -6.8428      1.00000
     87      -6.8198      1.00000
     88      -6.6370      1.00000
     89      -6.5283      1.00000
     90      -6.3409      1.00000
     91      -6.2714      1.00000
     92      -6.1941      1.00000
     93      -6.1311      1.00000
     94      -6.0192      1.00000
     95      -5.6333      1.00000
     96      -5.5073      1.00000
     97      -5.2968      1.00000
     98      -5.1554      1.00000
     99      -5.0387      1.00000
    100      -4.7242      1.00000
    101      -4.6848      1.00000
    102      -4.3674      1.00000
    103      -4.1825      1.00000
    104      -4.0066      1.00000
    105      -3.8204      1.00000
    106      -3.4837      1.00000
    107      -2.1648      0.00000
    108      -1.3832      0.00000
    109      -1.2354      0.00000
    110      -1.1855      0.00000
    111      -1.0140      0.00000
    112      -0.9555      0.00000
    113      -0.7975      0.00000
    114      -0.7524      0.00000
    115      -0.3679      0.00000
    116       0.2454      0.00000
    117       0.2764      0.00000
    118       0.3635      0.00000
    119       0.7119      0.00000
    120       0.8698      0.00000
    121       0.9657      0.00000
    122       1.1346      0.00000
    123       1.2481      0.00000
    124       1.4623      0.00000
    125       1.5861      0.00000
    126       1.7851      0.00000
    127       1.8465      0.00000
    128       1.8724      0.00000
    129       2.0033      0.00000
    130       2.0430      0.00000
    131       2.1829      0.00000
    132       2.2368      0.00000
    133       2.4007      0.00000
    134       2.4247      0.00000
    135       2.5075      0.00000
    136       2.6602      0.00000
    137       2.6848      0.00000
    138       2.7445      0.00000
    139       2.7832      0.00000
    140       2.8766      0.00000
    141       2.9896      0.00000
    142       3.0948      0.00000
    143       3.1565      0.00000
    144       3.2075      0.00000
    145       3.2663      0.00000
    146       3.3013      0.00000
    147       3.3416      0.00000
    148       3.4948      0.00000
    149       3.5378      0.00000
    150       3.7192      0.00000
    151       3.7396      0.00000
    152       3.7717      0.00000
    153       3.8664      0.00000
    154       3.8809      0.00000
    155       3.9072      0.00000
    156       3.9684      0.00000
    157       4.0102      0.00000
    158       4.0436      0.00000
    159       4.0470      0.00000
    160       4.0938      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3173      1.00000
      2     -21.7591      1.00000
      3     -21.5655      1.00000
      4     -21.5386      1.00000
      5     -21.2026      1.00000
      6     -21.1642      1.00000
      7     -20.9838      1.00000
      8     -20.0964      1.00000
      9     -20.0581      1.00000
     10     -19.5442      1.00000
     11     -19.5241      1.00000
     12     -19.3431      1.00000
     13     -19.0260      1.00000
     14     -18.9864      1.00000
     15     -18.9756      1.00000
     16     -18.9701      1.00000
     17     -18.2941      1.00000
     18     -18.2807      1.00000
     19     -17.9448      1.00000
     20     -16.9987      1.00000
     21     -16.9585      1.00000
     22     -16.8810      1.00000
     23     -16.8683      1.00000
     24     -16.4142      1.00000
     25     -16.3917      1.00000
     26     -15.5390      1.00000
     27     -15.5357      1.00000
     28     -15.1715      1.00000
     29     -15.1700      1.00000
     30     -15.1292      1.00000
     31     -15.0348      1.00000
     32     -14.9994      1.00000
     33     -14.6316      1.00000
     34     -14.6249      1.00000
     35     -13.6611      1.00000
     36     -13.6516      1.00000
     37     -13.1697      1.00000
     38     -12.5713      1.00000
     39     -12.5120      1.00000
     40     -12.3840      1.00000
     41     -12.3835      1.00000
     42     -12.0342      1.00000
     43     -12.0304      1.00000
     44     -11.6529      1.00000
     45     -11.6129      1.00000
     46     -11.2043      1.00000
     47     -11.1557      1.00000
     48     -10.9535      1.00000
     49     -10.9410      1.00000
     50     -10.8587      1.00000
     51     -10.8267      1.00000
     52     -10.6204      1.00000
     53     -10.1439      1.00000
     54     -10.0829      1.00000
     55     -10.0240      1.00000
     56      -9.9435      1.00000
     57      -9.6295      1.00000
     58      -9.6282      1.00000
     59      -9.6017      1.00000
     60      -9.5390      1.00000
     61      -9.5024      1.00000
     62      -9.4778      1.00000
     63      -9.2700      1.00000
     64      -9.2343      1.00000
     65      -9.2058      1.00000
     66      -9.1778      1.00000
     67      -9.0610      1.00000
     68      -9.0459      1.00000
     69      -9.0425      1.00000
     70      -8.8754      1.00000
     71      -8.8070      1.00000
     72      -8.5317      1.00000
     73      -8.5317      1.00000
     74      -8.4942      1.00000
     75      -8.0304      1.00000
     76      -7.8309      1.00000
     77      -7.7964      1.00000
     78      -7.7731      1.00000
     79      -7.7026      1.00000
     80      -7.6835      1.00000
     81      -7.4186      1.00000
     82      -7.2865      1.00000
     83      -7.2506      1.00000
     84      -7.2017      1.00000
     85      -7.0797      1.00000
     86      -7.0779      1.00000
     87      -6.9375      1.00000
     88      -6.7091      1.00000
     89      -6.6726      1.00000
     90      -6.6284      1.00000
     91      -6.5568      1.00000
     92      -6.0706      1.00000
     93      -6.0303      1.00000
     94      -6.0000      1.00000
     95      -5.9369      1.00000
     96      -5.7981      1.00000
     97      -5.1772      1.00000
     98      -4.8922      1.00000
     99      -4.7922      1.00000
    100      -4.6107      1.00000
    101      -4.5119      1.00000
    102      -4.1385      1.00000
    103      -4.0899      1.00000
    104      -3.9301      1.00000
    105      -3.9151      1.00000
    106      -3.8198      1.00000
    107      -1.7521      0.00000
    108      -1.6965      0.00000
    109      -1.4102      0.00000
    110      -1.3707      0.00000
    111      -1.2647      0.00000
    112      -1.2356      0.00000
    113      -0.6255      0.00000
    114      -0.5985      0.00000
    115      -0.1899      0.00000
    116       0.0405      0.00000
    117       0.5944      0.00000
    118       0.7436      0.00000
    119       0.8487      0.00000
    120       0.9303      0.00000
    121       1.1671      0.00000
    122       1.2166      0.00000
    123       1.2503      0.00000
    124       1.4402      0.00000
    125       1.6038      0.00000
    126       1.6541      0.00000
    127       1.7194      0.00000
    128       1.7825      0.00000
    129       1.9182      0.00000
    130       1.9392      0.00000
    131       2.1519      0.00000
    132       2.1897      0.00000
    133       2.2681      0.00000
    134       2.3259      0.00000
    135       2.5616      0.00000
    136       2.5926      0.00000
    137       2.5970      0.00000
    138       2.7694      0.00000
    139       2.7965      0.00000
    140       2.8017      0.00000
    141       2.8939      0.00000
    142       2.9174      0.00000
    143       3.0327      0.00000
    144       3.0552      0.00000
    145       3.1222      0.00000
    146       3.3100      0.00000
    147       3.3234      0.00000
    148       3.3883      0.00000
    149       3.4875      0.00000
    150       3.5856      0.00000
    151       3.6527      0.00000
    152       3.6640      0.00000
    153       3.6852      0.00000
    154       3.9084      0.00000
    155       3.9833      0.00000
    156       4.0216      0.00000
    157       4.0938      0.00000
    158       4.2527      0.00000
    159       4.2645      0.00000
    160       4.2745      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1383      1.00000
      2     -22.0460      1.00000
      3     -21.8839      1.00000
      4     -21.3333      1.00000
      5     -20.9745      1.00000
      6     -20.9452      1.00000
      7     -20.4259      1.00000
      8     -20.3940      1.00000
      9     -20.2144      1.00000
     10     -20.2121      1.00000
     11     -19.8857      1.00000
     12     -19.8221      1.00000
     13     -18.8156      1.00000
     14     -18.7451      1.00000
     15     -18.2643      1.00000
     16     -18.2499      1.00000
     17     -18.0789      1.00000
     18     -18.0718      1.00000
     19     -17.7445      1.00000
     20     -17.7285      1.00000
     21     -17.1933      1.00000
     22     -17.1698      1.00000
     23     -17.0879      1.00000
     24     -17.0663      1.00000
     25     -16.0519      1.00000
     26     -15.8067      1.00000
     27     -15.7971      1.00000
     28     -15.7759      1.00000
     29     -15.1583      1.00000
     30     -14.4838      1.00000
     31     -14.4627      1.00000
     32     -14.2034      1.00000
     33     -13.9149      1.00000
     34     -13.8855      1.00000
     35     -13.7577      1.00000
     36     -13.7377      1.00000
     37     -13.5351      1.00000
     38     -13.5089      1.00000
     39     -13.2994      1.00000
     40     -12.5746      1.00000
     41     -12.1001      1.00000
     42     -12.0757      1.00000
     43     -11.9968      1.00000
     44     -11.9492      1.00000
     45     -11.6044      1.00000
     46     -11.5970      1.00000
     47     -11.0829      1.00000
     48     -11.0595      1.00000
     49     -10.7298      1.00000
     50     -10.6630      1.00000
     51     -10.5535      1.00000
     52     -10.1385      1.00000
     53     -10.1341      1.00000
     54     -10.0991      1.00000
     55      -9.9647      1.00000
     56      -9.9243      1.00000
     57      -9.9201      1.00000
     58      -9.7498      1.00000
     59      -9.7281      1.00000
     60      -9.6964      1.00000
     61      -9.6933      1.00000
     62      -9.3976      1.00000
     63      -9.3874      1.00000
     64      -9.0656      1.00000
     65      -8.9807      1.00000
     66      -8.9805      1.00000
     67      -8.9048      1.00000
     68      -8.8108      1.00000
     69      -8.6485      1.00000
     70      -8.6327      1.00000
     71      -8.5435      1.00000
     72      -8.5002      1.00000
     73      -8.4816      1.00000
     74      -8.3930      1.00000
     75      -8.3819      1.00000
     76      -8.2078      1.00000
     77      -8.0991      1.00000
     78      -8.0054      1.00000
     79      -7.8995      1.00000
     80      -7.8414      1.00000
     81      -7.6204      1.00000
     82      -7.5317      1.00000
     83      -7.4564      1.00000
     84      -7.2614      1.00000
     85      -6.9417      1.00000
     86      -6.8684      1.00000
     87      -6.8096      1.00000
     88      -6.4772      1.00000
     89      -6.4678      1.00000
     90      -6.4087      1.00000
     91      -6.3586      1.00000
     92      -6.1846      1.00000
     93      -5.8572      1.00000
     94      -5.7370      1.00000
     95      -5.7103      1.00000
     96      -5.5210      1.00000
     97      -5.3283      1.00000
     98      -5.1718      1.00000
     99      -5.1667      1.00000
    100      -5.1331      1.00000
    101      -4.6953      1.00000
    102      -4.3483      1.00000
    103      -4.2761      1.00000
    104      -4.0263      1.00000
    105      -3.8219      1.00000
    106      -3.2325      1.00000
    107      -2.4059      0.00000
    108      -1.3452      0.00000
    109      -1.2434      0.00000
    110      -1.1540      0.00000
    111      -1.1084      0.00000
    112      -0.5838      0.00000
    113      -0.5212      0.00000
    114      -0.4342      0.00000
    115      -0.2747      0.00000
    116      -0.0722      0.00000
    117      -0.0116      0.00000
    118       0.0595      0.00000
    119       0.5839      0.00000
    120       0.7101      0.00000
    121       0.8200      0.00000
    122       0.9549      0.00000
    123       1.1952      0.00000
    124       1.5322      0.00000
    125       1.6306      0.00000
    126       1.8869      0.00000
    127       2.0247      0.00000
    128       2.0609      0.00000
    129       2.0927      0.00000
    130       2.1392      0.00000
    131       2.2295      0.00000
    132       2.2867      0.00000
    133       2.3383      0.00000
    134       2.4283      0.00000
    135       2.6114      0.00000
    136       2.7159      0.00000
    137       2.8486      0.00000
    138       2.9146      0.00000
    139       2.9448      0.00000
    140       3.0236      0.00000
    141       3.0598      0.00000
    142       3.1277      0.00000
    143       3.1764      0.00000
    144       3.2309      0.00000
    145       3.3096      0.00000
    146       3.3223      0.00000
    147       3.3628      0.00000
    148       3.3816      0.00000
    149       3.4371      0.00000
    150       3.4586      0.00000
    151       3.5672      0.00000
    152       3.6128      0.00000
    153       3.6569      0.00000
    154       3.7007      0.00000
    155       3.8719      0.00000
    156       3.9152      0.00000
    157       3.9472      0.00000
    158       3.9693      0.00000
    159       4.1817      0.00000
    160       4.2078      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2112      1.00000
      2     -22.0062      1.00000
      3     -21.6441      1.00000
      4     -21.6132      1.00000
      5     -20.9076      1.00000
      6     -20.8674      1.00000
      7     -20.5371      1.00000
      8     -20.5049      1.00000
      9     -20.4982      1.00000
     10     -19.9607      1.00000
     11     -19.4390      1.00000
     12     -19.4170      1.00000
     13     -19.2381      1.00000
     14     -19.2311      1.00000
     15     -18.3744      1.00000
     16     -18.3398      1.00000
     17     -17.8572      1.00000
     18     -17.8412      1.00000
     19     -17.6897      1.00000
     20     -17.6543      1.00000
     21     -17.3707      1.00000
     22     -17.3566      1.00000
     23     -17.2664      1.00000
     24     -16.4117      1.00000
     25     -16.3885      1.00000
     26     -15.9029      1.00000
     27     -15.3418      1.00000
     28     -15.3371      1.00000
     29     -15.0294      1.00000
     30     -15.0199      1.00000
     31     -14.7756      1.00000
     32     -14.7733      1.00000
     33     -14.2362      1.00000
     34     -14.1858      1.00000
     35     -13.3863      1.00000
     36     -13.3323      1.00000
     37     -13.1097      1.00000
     38     -13.1019      1.00000
     39     -12.9160      1.00000
     40     -12.9104      1.00000
     41     -12.5442      1.00000
     42     -12.5367      1.00000
     43     -12.1325      1.00000
     44     -11.5119      1.00000
     45     -11.4678      1.00000
     46     -11.2430      1.00000
     47     -11.2117      1.00000
     48     -11.0852      1.00000
     49     -10.7011      1.00000
     50     -10.5941      1.00000
     51     -10.5067      1.00000
     52     -10.2505      1.00000
     53     -10.2464      1.00000
     54     -10.1197      1.00000
     55     -10.0527      1.00000
     56     -10.0381      1.00000
     57      -9.7822      1.00000
     58      -9.6860      1.00000
     59      -9.6724      1.00000
     60      -9.6367      1.00000
     61      -9.6270      1.00000
     62      -9.5846      1.00000
     63      -9.2943      1.00000
     64      -9.2827      1.00000
     65      -9.2514      1.00000
     66      -9.0599      1.00000
     67      -8.8940      1.00000
     68      -8.8830      1.00000
     69      -8.7174      1.00000
     70      -8.5772      1.00000
     71      -8.5246      1.00000
     72      -8.3489      1.00000
     73      -8.3037      1.00000
     74      -8.2426      1.00000
     75      -8.2374      1.00000
     76      -8.1936      1.00000
     77      -8.1813      1.00000
     78      -8.1683      1.00000
     79      -8.1018      1.00000
     80      -7.6878      1.00000
     81      -7.4235      1.00000
     82      -7.3422      1.00000
     83      -7.2588      1.00000
     84      -7.1683      1.00000
     85      -7.1091      1.00000
     86      -7.0051      1.00000
     87      -6.9025      1.00000
     88      -6.8480      1.00000
     89      -6.5412      1.00000
     90      -6.4981      1.00000
     91      -6.2071      1.00000
     92      -6.2009      1.00000
     93      -5.8941      1.00000
     94      -5.6721      1.00000
     95      -5.6051      1.00000
     96      -5.5794      1.00000
     97      -5.2528      1.00000
     98      -5.2307      1.00000
     99      -5.1641      1.00000
    100      -5.1340      1.00000
    101      -4.5991      1.00000
    102      -4.2464      1.00000
    103      -4.0428      1.00000
    104      -3.8839      1.00000
    105      -3.8361      1.00000
    106      -3.7983      1.00000
    107      -1.8083      0.00000
    108      -1.7814      0.00000
    109      -1.2253      0.00000
    110      -1.1749      0.00000
    111      -0.9740      0.00000
    112      -0.7347      0.00000
    113      -0.6499      0.00000
    114      -0.5941      0.00000
    115      -0.5496      0.00000
    116      -0.1556      0.00000
    117       0.1760      0.00000
    118       0.2878      0.00000
    119       0.7170      0.00000
    120       0.9597      0.00000
    121       1.1715      0.00000
    122       1.2772      0.00000
    123       1.3569      0.00000
    124       1.5264      0.00000
    125       1.6182      0.00000
    126       1.6384      0.00000
    127       1.6962      0.00000
    128       1.7808      0.00000
    129       1.8780      0.00000
    130       2.0424      0.00000
    131       2.1684      0.00000
    132       2.2858      0.00000
    133       2.4212      0.00000
    134       2.4235      0.00000
    135       2.5774      0.00000
    136       2.6415      0.00000
    137       2.6955      0.00000
    138       2.6995      0.00000
    139       2.7755      0.00000
    140       2.9153      0.00000
    141       3.0615      0.00000
    142       3.0753      0.00000
    143       3.2046      0.00000
    144       3.2926      0.00000
    145       3.4068      0.00000
    146       3.4241      0.00000
    147       3.4668      0.00000
    148       3.5519      0.00000
    149       3.5923      0.00000
    150       3.6425      0.00000
    151       3.6764      0.00000
    152       3.7015      0.00000
    153       3.7559      0.00000
    154       3.7607      0.00000
    155       3.8438      0.00000
    156       3.9154      0.00000
    157       3.9171      0.00000
    158       3.9818      0.00000
    159       4.2022      0.00000
    160       4.2403      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3540      1.00000
      2     -21.5336      1.00000
      3     -21.4047      1.00000
      4     -21.4041      1.00000
      5     -21.3728      1.00000
      6     -21.3638      1.00000
      7     -21.3563      1.00000
      8     -19.6437      1.00000
      9     -19.5698      1.00000
     10     -19.5631      1.00000
     11     -19.5565      1.00000
     12     -19.5388      1.00000
     13     -19.5357      1.00000
     14     -18.7257      1.00000
     15     -18.6781      1.00000
     16     -18.6701      1.00000
     17     -18.6569      1.00000
     18     -18.6415      1.00000
     19     -18.6398      1.00000
     20     -16.5834      1.00000
     21     -16.5253      1.00000
     22     -16.5228      1.00000
     23     -16.5097      1.00000
     24     -16.4859      1.00000
     25     -16.4838      1.00000
     26     -15.5564      1.00000
     27     -15.5248      1.00000
     28     -15.5241      1.00000
     29     -15.4979      1.00000
     30     -15.4926      1.00000
     31     -15.4871      1.00000
     32     -14.2044      1.00000
     33     -14.1784      1.00000
     34     -14.1663      1.00000
     35     -14.1632      1.00000
     36     -14.1584      1.00000
     37     -14.1474      1.00000
     38     -11.8812      1.00000
     39     -11.8071      1.00000
     40     -11.7909      1.00000
     41     -11.7908      1.00000
     42     -11.7872      1.00000
     43     -11.7818      1.00000
     44     -11.7029      1.00000
     45     -11.6965      1.00000
     46     -11.6715      1.00000
     47     -11.6561      1.00000
     48     -11.6560      1.00000
     49     -11.6493      1.00000
     50     -10.6686      1.00000
     51     -10.3272      1.00000
     52     -10.3193      1.00000
     53     -10.3043      1.00000
     54     -10.3024      1.00000
     55     -10.2898      1.00000
     56     -10.2766      1.00000
     57      -9.9222      1.00000
     58      -9.3707      1.00000
     59      -9.3577      1.00000
     60      -9.2988      1.00000
     61      -9.2906      1.00000
     62      -9.2837      1.00000
     63      -9.0906      1.00000
     64      -9.0526      1.00000
     65      -9.0480      1.00000
     66      -9.0252      1.00000
     67      -9.0058      1.00000
     68      -9.0003      1.00000
     69      -9.0002      1.00000
     70      -8.9935      1.00000
     71      -8.9911      1.00000
     72      -8.9716      1.00000
     73      -8.9633      1.00000
     74      -8.9543      1.00000
     75      -8.4871      1.00000
     76      -7.5170      1.00000
     77      -7.4092      1.00000
     78      -7.4092      1.00000
     79      -7.3963      1.00000
     80      -7.3826      1.00000
     81      -7.3638      1.00000
     82      -7.3397      1.00000
     83      -7.3104      1.00000
     84      -7.2660      1.00000
     85      -7.2053      1.00000
     86      -7.1793      1.00000
     87      -7.1788      1.00000
     88      -7.0795      1.00000
     89      -6.5060      1.00000
     90      -6.4594      1.00000
     91      -6.3536      1.00000
     92      -6.2932      1.00000
     93      -6.2869      1.00000
     94      -6.2857      1.00000
     95      -5.8965      1.00000
     96      -5.8843      1.00000
     97      -5.0401      1.00000
     98      -4.9355      1.00000
     99      -4.5365      1.00000
    100      -4.3403      1.00000
    101      -4.3179      1.00000
    102      -4.3166      1.00000
    103      -4.1153      1.00000
    104      -3.9112      1.00000
    105      -3.9006      1.00000
    106      -3.8256      1.00000
    107      -1.6818      0.00000
    108      -1.6673      0.00000
    109      -1.5368      0.00000
    110      -1.5347      0.00000
    111      -1.5238      0.00000
    112      -1.5090      0.00000
    113      -0.5878      0.00000
    114       0.1340      0.00000
    115       0.2070      0.00000
    116       0.3242      0.00000
    117       0.3265      0.00000
    118       0.3336      0.00000
    119       0.4935      0.00000
    120       0.6099      0.00000
    121       1.2616      0.00000
    122       1.2890      0.00000
    123       1.5439      0.00000
    124       1.7545      0.00000
    125       1.8171      0.00000
    126       1.8208      0.00000
    127       1.8264      0.00000
    128       1.9473      0.00000
    129       1.9934      0.00000
    130       2.0310      0.00000
    131       2.0450      0.00000
    132       2.0503      0.00000
    133       2.0572      0.00000
    134       2.0659      0.00000
    135       2.3184      0.00000
    136       2.3297      0.00000
    137       2.6489      0.00000
    138       2.6574      0.00000
    139       2.6894      0.00000
    140       2.7352      0.00000
    141       2.8864      0.00000
    142       2.9939      0.00000
    143       3.0119      0.00000
    144       3.0368      0.00000
    145       3.0389      0.00000
    146       3.0401      0.00000
    147       3.0858      0.00000
    148       3.2508      0.00000
    149       3.4403      0.00000
    150       3.5574      0.00000
    151       3.7820      0.00000
    152       3.9485      0.00000
    153       3.9602      0.00000
    154       3.9654      0.00000
    155       3.9672      0.00000
    156       4.0089      0.00000
    157       4.1863      0.00000
    158       4.2681      0.00000
    159       4.2941      0.00000
    160       4.2955      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3174      1.00000
      2     -21.7588      1.00000
      3     -21.5683      1.00000
      4     -21.5357      1.00000
      5     -21.2054      1.00000
      6     -21.1608      1.00000
      7     -20.9850      1.00000
      8     -20.0994      1.00000
      9     -20.0556      1.00000
     10     -19.5442      1.00000
     11     -19.5197      1.00000
     12     -19.3471      1.00000
     13     -19.0226      1.00000
     14     -18.9877      1.00000
     15     -18.9794      1.00000
     16     -18.9674      1.00000
     17     -18.2955      1.00000
     18     -18.2764      1.00000
     19     -17.9502      1.00000
     20     -17.0075      1.00000
     21     -16.9580      1.00000
     22     -16.8769      1.00000
     23     -16.8676      1.00000
     24     -16.4033      1.00000
     25     -16.3889      1.00000
     26     -15.5498      1.00000
     27     -15.5342      1.00000
     28     -15.1957      1.00000
     29     -15.1674      1.00000
     30     -15.1130      1.00000
     31     -15.0262      1.00000
     32     -15.0013      1.00000
     33     -14.6345      1.00000
     34     -14.6229      1.00000
     35     -13.6658      1.00000
     36     -13.6505      1.00000
     37     -13.1681      1.00000
     38     -12.5495      1.00000
     39     -12.5166      1.00000
     40     -12.3892      1.00000
     41     -12.3762      1.00000
     42     -12.0557      1.00000
     43     -12.0331      1.00000
     44     -11.6572      1.00000
     45     -11.6156      1.00000
     46     -11.1790      1.00000
     47     -11.1559      1.00000
     48     -10.9629      1.00000
     49     -10.9390      1.00000
     50     -10.8713      1.00000
     51     -10.8358      1.00000
     52     -10.5988      1.00000
     53     -10.0916      1.00000
     54     -10.0870      1.00000
     55     -10.0440      1.00000
     56      -9.9682      1.00000
     57      -9.6523      1.00000
     58      -9.6278      1.00000
     59      -9.5904      1.00000
     60      -9.5279      1.00000
     61      -9.5098      1.00000
     62      -9.4780      1.00000
     63      -9.2620      1.00000
     64      -9.2396      1.00000
     65      -9.2193      1.00000
     66      -9.1651      1.00000
     67      -9.0668      1.00000
     68      -9.0454      1.00000
     69      -9.0399      1.00000
     70      -8.8808      1.00000
     71      -8.8052      1.00000
     72      -8.5736      1.00000
     73      -8.5215      1.00000
     74      -8.4537      1.00000
     75      -8.0342      1.00000
     76      -7.8089      1.00000
     77      -7.8054      1.00000
     78      -7.7913      1.00000
     79      -7.6993      1.00000
     80      -7.6895      1.00000
     81      -7.3679      1.00000
     82      -7.2719      1.00000
     83      -7.2638      1.00000
     84      -7.2165      1.00000
     85      -7.1721      1.00000
     86      -7.0083      1.00000
     87      -6.9465      1.00000
     88      -6.7446      1.00000
     89      -6.6710      1.00000
     90      -6.5935      1.00000
     91      -6.5584      1.00000
     92      -6.0496      1.00000
     93      -6.0454      1.00000
     94      -6.0206      1.00000
     95      -5.9583      1.00000
     96      -5.7354      1.00000
     97      -5.1505      1.00000
     98      -4.9877      1.00000
     99      -4.7172      1.00000
    100      -4.6105      1.00000
    101      -4.4383      1.00000
    102      -4.3728      1.00000
    103      -4.1206      1.00000
    104      -3.8671      1.00000
    105      -3.8265      1.00000
    106      -3.7897      1.00000
    107      -1.7847      0.00000
    108      -1.7387      0.00000
    109      -1.3947      0.00000
    110      -1.3457      0.00000
    111      -1.2651      0.00000
    112      -1.2259      0.00000
    113      -0.7460      0.00000
    114      -0.3802      0.00000
    115      -0.2203      0.00000
    116      -0.0203      0.00000
    117       0.5982      0.00000
    118       0.7413      0.00000
    119       0.7657      0.00000
    120       1.0506      0.00000
    121       1.1417      0.00000
    122       1.2516      0.00000
    123       1.2804      0.00000
    124       1.4244      0.00000
    125       1.4924      0.00000
    126       1.6037      0.00000
    127       1.7448      0.00000
    128       1.8406      0.00000
    129       1.8939      0.00000
    130       1.9627      0.00000
    131       2.0998      0.00000
    132       2.2562      0.00000
    133       2.2643      0.00000
    134       2.3233      0.00000
    135       2.5020      0.00000
    136       2.5890      0.00000
    137       2.6517      0.00000
    138       2.7819      0.00000
    139       2.7933      0.00000
    140       2.8131      0.00000
    141       2.8705      0.00000
    142       2.8859      0.00000
    143       2.9412      0.00000
    144       3.1176      0.00000
    145       3.2942      0.00000
    146       3.3083      0.00000
    147       3.3438      0.00000
    148       3.3691      0.00000
    149       3.4765      0.00000
    150       3.5717      0.00000
    151       3.6228      0.00000
    152       3.6802      0.00000
    153       3.7154      0.00000
    154       3.9230      0.00000
    155       3.9392      0.00000
    156       3.9942      0.00000
    157       4.0848      0.00000
    158       4.2151      0.00000
    159       4.2596      0.00000
    160       4.3038      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2116      1.00000
      2     -22.0056      1.00000
      3     -21.6469      1.00000
      4     -21.6101      1.00000
      5     -20.9106      1.00000
      6     -20.8645      1.00000
      7     -20.5434      1.00000
      8     -20.5042      1.00000
      9     -20.4939      1.00000
     10     -19.9615      1.00000
     11     -19.4403      1.00000
     12     -19.4134      1.00000
     13     -19.2397      1.00000
     14     -19.2254      1.00000
     15     -18.3820      1.00000
     16     -18.3381      1.00000
     17     -17.8582      1.00000
     18     -17.8374      1.00000
     19     -17.6959      1.00000
     20     -17.6536      1.00000
     21     -17.3704      1.00000
     22     -17.3546      1.00000
     23     -17.2727      1.00000
     24     -16.3998      1.00000
     25     -16.3852      1.00000
     26     -15.8946      1.00000
     27     -15.3507      1.00000
     28     -15.3356      1.00000
     29     -15.0331      1.00000
     30     -15.0193      1.00000
     31     -14.7979      1.00000
     32     -14.7734      1.00000
     33     -14.2204      1.00000
     34     -14.1885      1.00000
     35     -13.3696      1.00000
     36     -13.3360      1.00000
     37     -13.1183      1.00000
     38     -13.1010      1.00000
     39     -12.9143      1.00000
     40     -12.9009      1.00000
     41     -12.5553      1.00000
     42     -12.5375      1.00000
     43     -12.1317      1.00000
     44     -11.5198      1.00000
     45     -11.4725      1.00000
     46     -11.2517      1.00000
     47     -11.2185      1.00000
     48     -11.0781      1.00000
     49     -10.6555      1.00000
     50     -10.5880      1.00000
     51     -10.5206      1.00000
     52     -10.2561      1.00000
     53     -10.2478      1.00000
     54     -10.1208      1.00000
     55     -10.0476      1.00000
     56     -10.0403      1.00000
     57      -9.7670      1.00000
     58      -9.7035      1.00000
     59      -9.6788      1.00000
     60      -9.6295      1.00000
     61      -9.6249      1.00000
     62      -9.5864      1.00000
     63      -9.2929      1.00000
     64      -9.2839      1.00000
     65      -9.2520      1.00000
     66      -9.0829      1.00000
     67      -8.8957      1.00000
     68      -8.8820      1.00000
     69      -8.7232      1.00000
     70      -8.5855      1.00000
     71      -8.5131      1.00000
     72      -8.3293      1.00000
     73      -8.3011      1.00000
     74      -8.2630      1.00000
     75      -8.2320      1.00000
     76      -8.1941      1.00000
     77      -8.1854      1.00000
     78      -8.1698      1.00000
     79      -8.0951      1.00000
     80      -7.6869      1.00000
     81      -7.3599      1.00000
     82      -7.3100      1.00000
     83      -7.2651      1.00000
     84      -7.1864      1.00000
     85      -7.1256      1.00000
     86      -7.0760      1.00000
     87      -6.9059      1.00000
     88      -6.8816      1.00000
     89      -6.5485      1.00000
     90      -6.4918      1.00000
     91      -6.2090      1.00000
     92      -6.0675      1.00000
     93      -5.9401      1.00000
     94      -5.7124      1.00000
     95      -5.6319      1.00000
     96      -5.4510      1.00000
     97      -5.3035      1.00000
     98      -5.2332      1.00000
     99      -5.1514      1.00000
    100      -5.1509      1.00000
    101      -4.5188      1.00000
    102      -4.4697      1.00000
    103      -4.1400      1.00000
    104      -3.8296      1.00000
    105      -3.7561      1.00000
    106      -3.6798      1.00000
    107      -1.8705      0.00000
    108      -1.8240      0.00000
    109      -1.2775      0.00000
    110      -1.0357      0.00000
    111      -1.0119      0.00000
    112      -0.7130      0.00000
    113      -0.6398      0.00000
    114      -0.5884      0.00000
    115      -0.5462      0.00000
    116      -0.2053      0.00000
    117       0.2519      0.00000
    118       0.2784      0.00000
    119       0.7716      0.00000
    120       0.9526      0.00000
    121       1.1371      0.00000
    122       1.2334      0.00000
    123       1.3248      0.00000
    124       1.4192      0.00000
    125       1.6140      0.00000
    126       1.6358      0.00000
    127       1.7263      0.00000
    128       1.8178      0.00000
    129       1.9381      0.00000
    130       2.0387      0.00000
    131       2.0674      0.00000
    132       2.2837      0.00000
    133       2.4008      0.00000
    134       2.4540      0.00000
    135       2.5579      0.00000
    136       2.6474      0.00000
    137       2.7082      0.00000
    138       2.7787      0.00000
    139       2.8489      0.00000
    140       2.8948      0.00000
    141       3.0525      0.00000
    142       3.1064      0.00000
    143       3.2096      0.00000
    144       3.2529      0.00000
    145       3.3980      0.00000
    146       3.4335      0.00000
    147       3.5045      0.00000
    148       3.5869      0.00000
    149       3.6138      0.00000
    150       3.6334      0.00000
    151       3.6559      0.00000
    152       3.7400      0.00000
    153       3.7535      0.00000
    154       3.7645      0.00000
    155       3.8073      0.00000
    156       3.9037      0.00000
    157       3.9938      0.00000
    158       4.0197      0.00000
    159       4.1923      0.00000
    160       4.2237      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2455      1.00000
      2     -21.8912      1.00000
      3     -21.8209      1.00000
      4     -21.3094      1.00000
      5     -21.2793      1.00000
      6     -20.7682      1.00000
      7     -20.7025      1.00000
      8     -20.5539      1.00000
      9     -20.0070      1.00000
     10     -19.9991      1.00000
     11     -19.6458      1.00000
     12     -19.6215      1.00000
     13     -18.9277      1.00000
     14     -18.9188      1.00000
     15     -18.5689      1.00000
     16     -18.5548      1.00000
     17     -18.3918      1.00000
     18     -17.6127      1.00000
     19     -17.5568      1.00000
     20     -17.5517      1.00000
     21     -17.5102      1.00000
     22     -17.0543      1.00000
     23     -17.0363      1.00000
     24     -16.8904      1.00000
     25     -15.9286      1.00000
     26     -15.8651      1.00000
     27     -15.5142      1.00000
     28     -15.5140      1.00000
     29     -15.2264      1.00000
     30     -14.7930      1.00000
     31     -14.7655      1.00000
     32     -14.5133      1.00000
     33     -14.4695      1.00000
     34     -14.1002      1.00000
     35     -14.0892      1.00000
     36     -13.0753      1.00000
     37     -13.0307      1.00000
     38     -12.9649      1.00000
     39     -12.9531      1.00000
     40     -12.6438      1.00000
     41     -12.6367      1.00000
     42     -12.2722      1.00000
     43     -12.2410      1.00000
     44     -11.5855      1.00000
     45     -11.5594      1.00000
     46     -11.5047      1.00000
     47     -10.9018      1.00000
     48     -10.8495      1.00000
     49     -10.6172      1.00000
     50     -10.5579      1.00000
     51     -10.4833      1.00000
     52     -10.4324      1.00000
     53     -10.4224      1.00000
     54     -10.3700      1.00000
     55     -10.2918      1.00000
     56     -10.0625      1.00000
     57      -9.8315      1.00000
     58      -9.5461      1.00000
     59      -9.4866      1.00000
     60      -9.4666      1.00000
     61      -9.3449      1.00000
     62      -9.3293      1.00000
     63      -9.3090      1.00000
     64      -9.3069      1.00000
     65      -9.2126      1.00000
     66      -9.1106      1.00000
     67      -9.0794      1.00000
     68      -9.0485      1.00000
     69      -8.8443      1.00000
     70      -8.7916      1.00000
     71      -8.7728      1.00000
     72      -8.5256      1.00000
     73      -8.4725      1.00000
     74      -8.2171      1.00000
     75      -8.1083      1.00000
     76      -8.0985      1.00000
     77      -7.8050      1.00000
     78      -7.7816      1.00000
     79      -7.7807      1.00000
     80      -7.6715      1.00000
     81      -7.6309      1.00000
     82      -7.6290      1.00000
     83      -7.4030      1.00000
     84      -7.3233      1.00000
     85      -7.2058      1.00000
     86      -6.8385      1.00000
     87      -6.8285      1.00000
     88      -6.6584      1.00000
     89      -6.5378      1.00000
     90      -6.3433      1.00000
     91      -6.3061      1.00000
     92      -6.1833      1.00000
     93      -6.1464      1.00000
     94      -5.9767      1.00000
     95      -5.5710      1.00000
     96      -5.4248      1.00000
     97      -5.2578      1.00000
     98      -5.2448      1.00000
     99      -5.1480      1.00000
    100      -4.6946      1.00000
    101      -4.6646      1.00000
    102      -4.3490      1.00000
    103      -4.3118      1.00000
    104      -3.9626      1.00000
    105      -3.8221      1.00000
    106      -3.3902      1.00000
    107      -2.2197      0.00000
    108      -1.3760      0.00000
    109      -1.2868      0.00000
    110      -1.1735      0.00000
    111      -1.0781      0.00000
    112      -0.8937      0.00000
    113      -0.7686      0.00000
    114      -0.7573      0.00000
    115      -0.2216      0.00000
    116       0.1133      0.00000
    117       0.2634      0.00000
    118       0.3455      0.00000
    119       0.7461      0.00000
    120       0.9059      0.00000
    121       0.9737      0.00000
    122       1.1013      0.00000
    123       1.2176      0.00000
    124       1.5393      0.00000
    125       1.5905      0.00000
    126       1.7226      0.00000
    127       1.8391      0.00000
    128       1.8625      0.00000
    129       1.9463      0.00000
    130       2.0322      0.00000
    131       2.1490      0.00000
    132       2.2971      0.00000
    133       2.4069      0.00000
    134       2.4675      0.00000
    135       2.4818      0.00000
    136       2.6668      0.00000
    137       2.6878      0.00000
    138       2.7504      0.00000
    139       2.7563      0.00000
    140       2.9079      0.00000
    141       3.0399      0.00000
    142       3.0973      0.00000
    143       3.1676      0.00000
    144       3.2109      0.00000
    145       3.2590      0.00000
    146       3.2831      0.00000
    147       3.3710      0.00000
    148       3.4940      0.00000
    149       3.5550      0.00000
    150       3.7143      0.00000
    151       3.7645      0.00000
    152       3.7710      0.00000
    153       3.8303      0.00000
    154       3.8982      0.00000
    155       3.9654      0.00000
    156       3.9760      0.00000
    157       4.0032      0.00000
    158       4.0386      0.00000
    159       4.0416      0.00000
    160       4.0887      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1392      1.00000
      2     -22.0447      1.00000
      3     -21.8844      1.00000
      4     -21.3324      1.00000
      5     -20.9795      1.00000
      6     -20.9412      1.00000
      7     -20.4311      1.00000
      8     -20.3887      1.00000
      9     -20.2244      1.00000
     10     -20.2032      1.00000
     11     -19.8869      1.00000
     12     -19.8197      1.00000
     13     -18.8128      1.00000
     14     -18.7422      1.00000
     15     -18.2877      1.00000
     16     -18.2348      1.00000
     17     -18.0839      1.00000
     18     -18.0643      1.00000
     19     -17.7595      1.00000
     20     -17.7176      1.00000
     21     -17.1871      1.00000
     22     -17.1688      1.00000
     23     -17.0980      1.00000
     24     -17.0623      1.00000
     25     -16.0360      1.00000
     26     -15.8210      1.00000
     27     -15.7981      1.00000
     28     -15.7632      1.00000
     29     -15.1722      1.00000
     30     -14.4895      1.00000
     31     -14.4571      1.00000
     32     -14.2163      1.00000
     33     -13.8936      1.00000
     34     -13.8888      1.00000
     35     -13.7546      1.00000
     36     -13.7349      1.00000
     37     -13.5499      1.00000
     38     -13.5019      1.00000
     39     -13.2979      1.00000
     40     -12.5625      1.00000
     41     -12.1233      1.00000
     42     -12.0651      1.00000
     43     -12.0079      1.00000
     44     -11.9501      1.00000
     45     -11.6092      1.00000
     46     -11.5869      1.00000
     47     -11.0835      1.00000
     48     -11.0510      1.00000
     49     -10.7502      1.00000
     50     -10.6629      1.00000
     51     -10.5217      1.00000
     52     -10.1468      1.00000
     53     -10.1370      1.00000
     54     -10.0946      1.00000
     55      -9.9517      1.00000
     56      -9.9459      1.00000
     57      -9.9159      1.00000
     58      -9.7363      1.00000
     59      -9.7295      1.00000
     60      -9.6997      1.00000
     61      -9.6899      1.00000
     62      -9.4257      1.00000
     63      -9.3617      1.00000
     64      -9.0824      1.00000
     65      -9.0052      1.00000
     66      -8.9735      1.00000
     67      -8.8869      1.00000
     68      -8.8099      1.00000
     69      -8.6561      1.00000
     70      -8.6337      1.00000
     71      -8.5745      1.00000
     72      -8.4773      1.00000
     73      -8.4662      1.00000
     74      -8.3967      1.00000
     75      -8.3932      1.00000
     76      -8.1825      1.00000
     77      -8.1108      1.00000
     78      -7.9762      1.00000
     79      -7.9117      1.00000
     80      -7.8459      1.00000
     81      -7.6147      1.00000
     82      -7.5292      1.00000
     83      -7.4684      1.00000
     84      -7.2656      1.00000
     85      -6.9336      1.00000
     86      -6.8570      1.00000
     87      -6.8107      1.00000
     88      -6.5713      1.00000
     89      -6.4656      1.00000
     90      -6.4201      1.00000
     91      -6.3559      1.00000
     92      -6.0495      1.00000
     93      -5.8758      1.00000
     94      -5.7518      1.00000
     95      -5.7208      1.00000
     96      -5.4748      1.00000
     97      -5.3445      1.00000
     98      -5.1793      1.00000
     99      -5.1552      1.00000
    100      -5.1539      1.00000
    101      -4.7058      1.00000
    102      -4.4403      1.00000
    103      -4.2522      1.00000
    104      -3.9937      1.00000
    105      -3.8209      1.00000
    106      -3.1564      1.00000
    107      -2.4629      0.00000
    108      -1.3788      0.00000
    109      -1.2407      0.00000
    110      -1.1462      0.00000
    111      -1.1147      0.00000
    112      -0.5647      0.00000
    113      -0.4350      0.00000
    114      -0.4303      0.00000
    115      -0.3103      0.00000
    116      -0.1910      0.00000
    117       0.0616      0.00000
    118       0.1156      0.00000
    119       0.5404      0.00000
    120       0.6838      0.00000
    121       0.8820      0.00000
    122       0.9804      0.00000
    123       1.1219      0.00000
    124       1.5060      0.00000
    125       1.6784      0.00000
    126       1.8398      0.00000
    127       1.8957      0.00000
    128       2.0865      0.00000
    129       2.1198      0.00000
    130       2.1674      0.00000
    131       2.2205      0.00000
    132       2.3289      0.00000
    133       2.3407      0.00000
    134       2.4828      0.00000
    135       2.5646      0.00000
    136       2.6886      0.00000
    137       2.8908      0.00000
    138       2.9381      0.00000
    139       2.9794      0.00000
    140       3.0049      0.00000
    141       3.0551      0.00000
    142       3.1392      0.00000
    143       3.1677      0.00000
    144       3.2566      0.00000
    145       3.3050      0.00000
    146       3.3435      0.00000
    147       3.3543      0.00000
    148       3.3897      0.00000
    149       3.4245      0.00000
    150       3.5127      0.00000
    151       3.5637      0.00000
    152       3.6253      0.00000
    153       3.6538      0.00000
    154       3.7019      0.00000
    155       3.7275      0.00000
    156       3.9340      0.00000
    157       3.9472      0.00000
    158       4.0765      0.00000
    159       4.1182      0.00000
    160       4.2275      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2453      1.00000
      2     -21.8926      1.00000
      3     -21.8195      1.00000
      4     -21.3139      1.00000
      5     -21.2753      1.00000
      6     -20.7692      1.00000
      7     -20.7006      1.00000
      8     -20.5524      1.00000
      9     -20.0205      1.00000
     10     -19.9885      1.00000
     11     -19.6483      1.00000
     12     -19.6174      1.00000
     13     -18.9412      1.00000
     14     -18.9068      1.00000
     15     -18.5818      1.00000
     16     -18.5449      1.00000
     17     -18.3903      1.00000
     18     -17.5999      1.00000
     19     -17.5691      1.00000
     20     -17.5397      1.00000
     21     -17.5071      1.00000
     22     -17.0724      1.00000
     23     -17.0261      1.00000
     24     -16.8985      1.00000
     25     -15.9438      1.00000
     26     -15.8493      1.00000
     27     -15.5312      1.00000
     28     -15.5049      1.00000
     29     -15.2079      1.00000
     30     -14.8118      1.00000
     31     -14.7600      1.00000
     32     -14.5080      1.00000
     33     -14.4667      1.00000
     34     -14.0945      1.00000
     35     -14.0916      1.00000
     36     -13.1030      1.00000
     37     -13.0276      1.00000
     38     -12.9554      1.00000
     39     -12.9484      1.00000
     40     -12.6542      1.00000
     41     -12.6262      1.00000
     42     -12.2722      1.00000
     43     -12.2452      1.00000
     44     -11.5713      1.00000
     45     -11.5523      1.00000
     46     -11.4990      1.00000
     47     -10.8762      1.00000
     48     -10.8665      1.00000
     49     -10.6772      1.00000
     50     -10.5242      1.00000
     51     -10.5184      1.00000
     52     -10.4319      1.00000
     53     -10.4146      1.00000
     54     -10.3690      1.00000
     55     -10.2867      1.00000
     56     -10.0580      1.00000
     57      -9.8304      1.00000
     58      -9.5567      1.00000
     59      -9.4836      1.00000
     60      -9.4414      1.00000
     61      -9.3537      1.00000
     62      -9.3381      1.00000
     63      -9.3068      1.00000
     64      -9.3012      1.00000
     65      -9.2044      1.00000
     66      -9.0982      1.00000
     67      -9.0674      1.00000
     68      -9.0479      1.00000
     69      -8.8468      1.00000
     70      -8.7951      1.00000
     71      -8.7764      1.00000
     72      -8.5253      1.00000
     73      -8.4935      1.00000
     74      -8.2220      1.00000
     75      -8.1281      1.00000
     76      -8.0916      1.00000
     77      -7.8052      1.00000
     78      -7.7666      1.00000
     79      -7.7388      1.00000
     80      -7.7000      1.00000
     81      -7.6345      1.00000
     82      -7.6240      1.00000
     83      -7.3886      1.00000
     84      -7.3441      1.00000
     85      -7.2245      1.00000
     86      -6.8428      1.00000
     87      -6.8198      1.00000
     88      -6.6370      1.00000
     89      -6.5283      1.00000
     90      -6.3409      1.00000
     91      -6.2714      1.00000
     92      -6.1941      1.00000
     93      -6.1311      1.00000
     94      -6.0192      1.00000
     95      -5.6333      1.00000
     96      -5.5073      1.00000
     97      -5.2968      1.00000
     98      -5.1554      1.00000
     99      -5.0387      1.00000
    100      -4.7242      1.00000
    101      -4.6848      1.00000
    102      -4.3674      1.00000
    103      -4.1825      1.00000
    104      -4.0066      1.00000
    105      -3.8204      1.00000
    106      -3.4837      1.00000
    107      -2.1648      0.00000
    108      -1.3832      0.00000
    109      -1.2354      0.00000
    110      -1.1855      0.00000
    111      -1.0140      0.00000
    112      -0.9555      0.00000
    113      -0.7975      0.00000
    114      -0.7524      0.00000
    115      -0.3679      0.00000
    116       0.2454      0.00000
    117       0.2764      0.00000
    118       0.3635      0.00000
    119       0.7119      0.00000
    120       0.8698      0.00000
    121       0.9657      0.00000
    122       1.1346      0.00000
    123       1.2481      0.00000
    124       1.4623      0.00000
    125       1.5861      0.00000
    126       1.7851      0.00000
    127       1.8465      0.00000
    128       1.8724      0.00000
    129       2.0033      0.00000
    130       2.0430      0.00000
    131       2.1829      0.00000
    132       2.2368      0.00000
    133       2.4007      0.00000
    134       2.4247      0.00000
    135       2.5075      0.00000
    136       2.6602      0.00000
    137       2.6848      0.00000
    138       2.7445      0.00000
    139       2.7833      0.00000
    140       2.8766      0.00000
    141       2.9897      0.00000
    142       3.0948      0.00000
    143       3.1565      0.00000
    144       3.2076      0.00000
    145       3.2663      0.00000
    146       3.3013      0.00000
    147       3.3417      0.00000
    148       3.4948      0.00000
    149       3.5378      0.00000
    150       3.7192      0.00000
    151       3.7397      0.00000
    152       3.7717      0.00000
    153       3.8665      0.00000
    154       3.8809      0.00000
    155       3.9072      0.00000
    156       3.9685      0.00000
    157       4.0102      0.00000
    158       4.0437      0.00000
    159       4.0471      0.00000
    160       4.0938      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3173      1.00000
      2     -21.7591      1.00000
      3     -21.5655      1.00000
      4     -21.5386      1.00000
      5     -21.2026      1.00000
      6     -21.1642      1.00000
      7     -20.9838      1.00000
      8     -20.0964      1.00000
      9     -20.0581      1.00000
     10     -19.5442      1.00000
     11     -19.5241      1.00000
     12     -19.3431      1.00000
     13     -19.0260      1.00000
     14     -18.9864      1.00000
     15     -18.9756      1.00000
     16     -18.9701      1.00000
     17     -18.2941      1.00000
     18     -18.2807      1.00000
     19     -17.9448      1.00000
     20     -16.9987      1.00000
     21     -16.9585      1.00000
     22     -16.8810      1.00000
     23     -16.8683      1.00000
     24     -16.4142      1.00000
     25     -16.3917      1.00000
     26     -15.5390      1.00000
     27     -15.5357      1.00000
     28     -15.1715      1.00000
     29     -15.1700      1.00000
     30     -15.1292      1.00000
     31     -15.0348      1.00000
     32     -14.9994      1.00000
     33     -14.6316      1.00000
     34     -14.6249      1.00000
     35     -13.6611      1.00000
     36     -13.6516      1.00000
     37     -13.1697      1.00000
     38     -12.5713      1.00000
     39     -12.5120      1.00000
     40     -12.3840      1.00000
     41     -12.3835      1.00000
     42     -12.0342      1.00000
     43     -12.0304      1.00000
     44     -11.6529      1.00000
     45     -11.6129      1.00000
     46     -11.2043      1.00000
     47     -11.1557      1.00000
     48     -10.9535      1.00000
     49     -10.9410      1.00000
     50     -10.8587      1.00000
     51     -10.8267      1.00000
     52     -10.6204      1.00000
     53     -10.1439      1.00000
     54     -10.0829      1.00000
     55     -10.0240      1.00000
     56      -9.9435      1.00000
     57      -9.6295      1.00000
     58      -9.6282      1.00000
     59      -9.6017      1.00000
     60      -9.5390      1.00000
     61      -9.5024      1.00000
     62      -9.4778      1.00000
     63      -9.2700      1.00000
     64      -9.2343      1.00000
     65      -9.2058      1.00000
     66      -9.1778      1.00000
     67      -9.0610      1.00000
     68      -9.0459      1.00000
     69      -9.0425      1.00000
     70      -8.8754      1.00000
     71      -8.8070      1.00000
     72      -8.5317      1.00000
     73      -8.5317      1.00000
     74      -8.4942      1.00000
     75      -8.0304      1.00000
     76      -7.8309      1.00000
     77      -7.7964      1.00000
     78      -7.7731      1.00000
     79      -7.7026      1.00000
     80      -7.6835      1.00000
     81      -7.4186      1.00000
     82      -7.2865      1.00000
     83      -7.2506      1.00000
     84      -7.2017      1.00000
     85      -7.0797      1.00000
     86      -7.0779      1.00000
     87      -6.9375      1.00000
     88      -6.7091      1.00000
     89      -6.6726      1.00000
     90      -6.6284      1.00000
     91      -6.5568      1.00000
     92      -6.0706      1.00000
     93      -6.0303      1.00000
     94      -6.0000      1.00000
     95      -5.9369      1.00000
     96      -5.7981      1.00000
     97      -5.1772      1.00000
     98      -4.8922      1.00000
     99      -4.7922      1.00000
    100      -4.6107      1.00000
    101      -4.5119      1.00000
    102      -4.1385      1.00000
    103      -4.0899      1.00000
    104      -3.9301      1.00000
    105      -3.9151      1.00000
    106      -3.8198      1.00000
    107      -1.7521      0.00000
    108      -1.6965      0.00000
    109      -1.4102      0.00000
    110      -1.3707      0.00000
    111      -1.2647      0.00000
    112      -1.2356      0.00000
    113      -0.6255      0.00000
    114      -0.5985      0.00000
    115      -0.1899      0.00000
    116       0.0405      0.00000
    117       0.5944      0.00000
    118       0.7436      0.00000
    119       0.8487      0.00000
    120       0.9304      0.00000
    121       1.1671      0.00000
    122       1.2166      0.00000
    123       1.2503      0.00000
    124       1.4402      0.00000
    125       1.6038      0.00000
    126       1.6541      0.00000
    127       1.7194      0.00000
    128       1.7825      0.00000
    129       1.9182      0.00000
    130       1.9392      0.00000
    131       2.1519      0.00000
    132       2.1897      0.00000
    133       2.2681      0.00000
    134       2.3259      0.00000
    135       2.5617      0.00000
    136       2.5926      0.00000
    137       2.5971      0.00000
    138       2.7694      0.00000
    139       2.7965      0.00000
    140       2.8017      0.00000
    141       2.8939      0.00000
    142       2.9175      0.00000
    143       3.0327      0.00000
    144       3.0552      0.00000
    145       3.1222      0.00000
    146       3.3101      0.00000
    147       3.3234      0.00000
    148       3.3883      0.00000
    149       3.4876      0.00000
    150       3.5856      0.00000
    151       3.6527      0.00000
    152       3.6641      0.00000
    153       3.6852      0.00000
    154       3.9084      0.00000
    155       3.9833      0.00000
    156       4.0216      0.00000
    157       4.0938      0.00000
    158       4.2528      0.00000
    159       4.2645      0.00000
    160       4.2745      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1383      1.00000
      2     -22.0460      1.00000
      3     -21.8839      1.00000
      4     -21.3333      1.00000
      5     -20.9745      1.00000
      6     -20.9452      1.00000
      7     -20.4259      1.00000
      8     -20.3940      1.00000
      9     -20.2144      1.00000
     10     -20.2121      1.00000
     11     -19.8857      1.00000
     12     -19.8221      1.00000
     13     -18.8156      1.00000
     14     -18.7451      1.00000
     15     -18.2643      1.00000
     16     -18.2499      1.00000
     17     -18.0789      1.00000
     18     -18.0718      1.00000
     19     -17.7445      1.00000
     20     -17.7285      1.00000
     21     -17.1933      1.00000
     22     -17.1698      1.00000
     23     -17.0879      1.00000
     24     -17.0663      1.00000
     25     -16.0519      1.00000
     26     -15.8067      1.00000
     27     -15.7971      1.00000
     28     -15.7759      1.00000
     29     -15.1583      1.00000
     30     -14.4838      1.00000
     31     -14.4627      1.00000
     32     -14.2034      1.00000
     33     -13.9149      1.00000
     34     -13.8855      1.00000
     35     -13.7577      1.00000
     36     -13.7377      1.00000
     37     -13.5351      1.00000
     38     -13.5089      1.00000
     39     -13.2994      1.00000
     40     -12.5746      1.00000
     41     -12.1001      1.00000
     42     -12.0757      1.00000
     43     -11.9968      1.00000
     44     -11.9492      1.00000
     45     -11.6044      1.00000
     46     -11.5970      1.00000
     47     -11.0829      1.00000
     48     -11.0595      1.00000
     49     -10.7298      1.00000
     50     -10.6630      1.00000
     51     -10.5535      1.00000
     52     -10.1385      1.00000
     53     -10.1341      1.00000
     54     -10.0991      1.00000
     55      -9.9647      1.00000
     56      -9.9243      1.00000
     57      -9.9201      1.00000
     58      -9.7498      1.00000
     59      -9.7281      1.00000
     60      -9.6964      1.00000
     61      -9.6933      1.00000
     62      -9.3976      1.00000
     63      -9.3874      1.00000
     64      -9.0656      1.00000
     65      -8.9807      1.00000
     66      -8.9805      1.00000
     67      -8.9048      1.00000
     68      -8.8108      1.00000
     69      -8.6485      1.00000
     70      -8.6327      1.00000
     71      -8.5435      1.00000
     72      -8.5002      1.00000
     73      -8.4816      1.00000
     74      -8.3930      1.00000
     75      -8.3819      1.00000
     76      -8.2078      1.00000
     77      -8.0991      1.00000
     78      -8.0054      1.00000
     79      -7.8995      1.00000
     80      -7.8414      1.00000
     81      -7.6204      1.00000
     82      -7.5317      1.00000
     83      -7.4564      1.00000
     84      -7.2614      1.00000
     85      -6.9417      1.00000
     86      -6.8684      1.00000
     87      -6.8096      1.00000
     88      -6.4772      1.00000
     89      -6.4678      1.00000
     90      -6.4087      1.00000
     91      -6.3586      1.00000
     92      -6.1846      1.00000
     93      -5.8572      1.00000
     94      -5.7370      1.00000
     95      -5.7103      1.00000
     96      -5.5210      1.00000
     97      -5.3283      1.00000
     98      -5.1718      1.00000
     99      -5.1667      1.00000
    100      -5.1331      1.00000
    101      -4.6953      1.00000
    102      -4.3483      1.00000
    103      -4.2761      1.00000
    104      -4.0263      1.00000
    105      -3.8219      1.00000
    106      -3.2325      1.00000
    107      -2.4059      0.00000
    108      -1.3452      0.00000
    109      -1.2434      0.00000
    110      -1.1540      0.00000
    111      -1.1084      0.00000
    112      -0.5838      0.00000
    113      -0.5212      0.00000
    114      -0.4342      0.00000
    115      -0.2747      0.00000
    116      -0.0722      0.00000
    117      -0.0116      0.00000
    118       0.0595      0.00000
    119       0.5839      0.00000
    120       0.7101      0.00000
    121       0.8200      0.00000
    122       0.9549      0.00000
    123       1.1952      0.00000
    124       1.5322      0.00000
    125       1.6306      0.00000
    126       1.8869      0.00000
    127       2.0247      0.00000
    128       2.0609      0.00000
    129       2.0927      0.00000
    130       2.1392      0.00000
    131       2.2295      0.00000
    132       2.2867      0.00000
    133       2.3383      0.00000
    134       2.4283      0.00000
    135       2.6114      0.00000
    136       2.7159      0.00000
    137       2.8486      0.00000
    138       2.9146      0.00000
    139       2.9448      0.00000
    140       3.0237      0.00000
    141       3.0598      0.00000
    142       3.1278      0.00000
    143       3.1764      0.00000
    144       3.2309      0.00000
    145       3.3096      0.00000
    146       3.3223      0.00000
    147       3.3628      0.00000
    148       3.3816      0.00000
    149       3.4371      0.00000
    150       3.4586      0.00000
    151       3.5672      0.00000
    152       3.6128      0.00000
    153       3.6569      0.00000
    154       3.7007      0.00000
    155       3.8719      0.00000
    156       3.9152      0.00000
    157       3.9472      0.00000
    158       3.9693      0.00000
    159       4.1817      0.00000
    160       4.2078      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2112      1.00000
      2     -22.0062      1.00000
      3     -21.6441      1.00000
      4     -21.6132      1.00000
      5     -20.9076      1.00000
      6     -20.8674      1.00000
      7     -20.5371      1.00000
      8     -20.5049      1.00000
      9     -20.4982      1.00000
     10     -19.9607      1.00000
     11     -19.4390      1.00000
     12     -19.4170      1.00000
     13     -19.2381      1.00000
     14     -19.2311      1.00000
     15     -18.3744      1.00000
     16     -18.3398      1.00000
     17     -17.8572      1.00000
     18     -17.8412      1.00000
     19     -17.6897      1.00000
     20     -17.6543      1.00000
     21     -17.3707      1.00000
     22     -17.3566      1.00000
     23     -17.2664      1.00000
     24     -16.4117      1.00000
     25     -16.3885      1.00000
     26     -15.9029      1.00000
     27     -15.3418      1.00000
     28     -15.3371      1.00000
     29     -15.0294      1.00000
     30     -15.0199      1.00000
     31     -14.7756      1.00000
     32     -14.7733      1.00000
     33     -14.2362      1.00000
     34     -14.1858      1.00000
     35     -13.3863      1.00000
     36     -13.3323      1.00000
     37     -13.1097      1.00000
     38     -13.1019      1.00000
     39     -12.9160      1.00000
     40     -12.9104      1.00000
     41     -12.5442      1.00000
     42     -12.5367      1.00000
     43     -12.1325      1.00000
     44     -11.5119      1.00000
     45     -11.4678      1.00000
     46     -11.2430      1.00000
     47     -11.2117      1.00000
     48     -11.0852      1.00000
     49     -10.7011      1.00000
     50     -10.5941      1.00000
     51     -10.5067      1.00000
     52     -10.2505      1.00000
     53     -10.2464      1.00000
     54     -10.1197      1.00000
     55     -10.0527      1.00000
     56     -10.0381      1.00000
     57      -9.7822      1.00000
     58      -9.6860      1.00000
     59      -9.6724      1.00000
     60      -9.6367      1.00000
     61      -9.6270      1.00000
     62      -9.5846      1.00000
     63      -9.2943      1.00000
     64      -9.2827      1.00000
     65      -9.2514      1.00000
     66      -9.0599      1.00000
     67      -8.8940      1.00000
     68      -8.8830      1.00000
     69      -8.7174      1.00000
     70      -8.5772      1.00000
     71      -8.5246      1.00000
     72      -8.3489      1.00000
     73      -8.3037      1.00000
     74      -8.2426      1.00000
     75      -8.2374      1.00000
     76      -8.1936      1.00000
     77      -8.1813      1.00000
     78      -8.1683      1.00000
     79      -8.1018      1.00000
     80      -7.6878      1.00000
     81      -7.4235      1.00000
     82      -7.3422      1.00000
     83      -7.2588      1.00000
     84      -7.1683      1.00000
     85      -7.1091      1.00000
     86      -7.0051      1.00000
     87      -6.9025      1.00000
     88      -6.8480      1.00000
     89      -6.5412      1.00000
     90      -6.4981      1.00000
     91      -6.2071      1.00000
     92      -6.2009      1.00000
     93      -5.8941      1.00000
     94      -5.6721      1.00000
     95      -5.6051      1.00000
     96      -5.5794      1.00000
     97      -5.2528      1.00000
     98      -5.2307      1.00000
     99      -5.1641      1.00000
    100      -5.1340      1.00000
    101      -4.5991      1.00000
    102      -4.2464      1.00000
    103      -4.0428      1.00000
    104      -3.8839      1.00000
    105      -3.8361      1.00000
    106      -3.7983      1.00000
    107      -1.8083      0.00000
    108      -1.7814      0.00000
    109      -1.2253      0.00000
    110      -1.1749      0.00000
    111      -0.9740      0.00000
    112      -0.7347      0.00000
    113      -0.6499      0.00000
    114      -0.5941      0.00000
    115      -0.5496      0.00000
    116      -0.1556      0.00000
    117       0.1760      0.00000
    118       0.2878      0.00000
    119       0.7170      0.00000
    120       0.9597      0.00000
    121       1.1715      0.00000
    122       1.2772      0.00000
    123       1.3569      0.00000
    124       1.5265      0.00000
    125       1.6182      0.00000
    126       1.6384      0.00000
    127       1.6962      0.00000
    128       1.7809      0.00000
    129       1.8780      0.00000
    130       2.0424      0.00000
    131       2.1684      0.00000
    132       2.2858      0.00000
    133       2.4212      0.00000
    134       2.4236      0.00000
    135       2.5774      0.00000
    136       2.6415      0.00000
    137       2.6955      0.00000
    138       2.6996      0.00000
    139       2.7755      0.00000
    140       2.9153      0.00000
    141       3.0616      0.00000
    142       3.0753      0.00000
    143       3.2046      0.00000
    144       3.2926      0.00000
    145       3.4068      0.00000
    146       3.4241      0.00000
    147       3.4669      0.00000
    148       3.5520      0.00000
    149       3.5923      0.00000
    150       3.6425      0.00000
    151       3.6764      0.00000
    152       3.7015      0.00000
    153       3.7560      0.00000
    154       3.7607      0.00000
    155       3.8438      0.00000
    156       3.9154      0.00000
    157       3.9172      0.00000
    158       3.9818      0.00000
    159       4.2022      0.00000
    160       4.2403      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0406   -7.2565    3.9832   -1.1308   -0.1847   17.3742    0.4930   -0.8149    0.7705   -0.4754
x    -3.1262   -0.0251   -0.0203   -0.0266    0.0917   -3.0544    0.0301   -0.0244    0.0083    0.0018
x    -0.0953   -0.0029    0.0036   -0.0031    0.0021   -0.0242    0.0000    0.0000   -0.0001    0.0001
x    -0.0035   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0406    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0035    0.0000    0.0004    0.0007    0.0028   -0.0985   -0.0313    0.0617    0.0185
y     0.0229   -3.2424   -0.1794    0.1694   -2.4144   -0.6652
z   204.0406    1.7375    0.2871    0.0905   -0.0015    0.0776   -0.0019    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1044    0.0015   -0.0009   -0.0001    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0013   -0.0001    0.0001    0.0000
z    -0.0001    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  -16.6808
z     0.1430    0.2287   -0.0326    0.0570   -0.0904    0.0006
 total charge-density along one line
x   212.0000  -10.0876    5.9300   -1.9397   -0.4203   19.2929   -0.6565    0.2077    0.0650   -0.1045
x    -2.7067   -0.0088    0.0023   -0.0460    0.0978   -2.3459    0.0476   -0.0343    0.0116    0.0024
x    -0.0853   -0.0056    0.0083   -0.0079    0.0053   -0.0374    0.0000   -0.0001    0.0004   -0.0004
x    -0.0054    0.0000   -0.0002    0.0001    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  -10.0876    5.9300   -1.9397   -0.4203   19.2929   -0.6565    0.2077    0.0650   -0.1045
y    -2.7067   -0.0088    0.0023   -0.0460    0.0978   -2.3459    0.0476   -0.0343    0.0116    0.0024
y    -0.0853   -0.0056    0.0083   -0.0079    0.0053   -0.0374    0.0000   -0.0001    0.0004   -0.0004
y    -0.0054    0.0000   -0.0002    0.0001    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 -205.2907  188.8304 -170.1240  154.0760 -140.4366  126.5467 -111.0488   94.7447  -79.0476
z    64.6620  -51.7246   40.5061  -31.4831   24.7868  -19.8718   15.8661  -12.2055    8.8915   -6.2066
z     4.2815   -2.9542    1.9582   -1.1511    0.5425   -0.1588   -0.0600    0.2232   -0.3875    0.5215
z    -0.5681    0.5218   -0.4376    0.3749   -0.3478    0.3298   -0.2951    0.2446   -0.1970    0.1640
z    -0.1413    0.1193   -0.0954    0.0744   -0.0608    0.0532   -0.0467    0.0389   -0.0312    0.0257
z    -0.0226    0.0202   -0.0173    0.0140   -0.0113    0.0092   -0.0075    0.0058   -0.0043    0.0031
z    -0.0022    0.0013   -0.0004   -0.0002    0.0004   -0.0004    0.0005   -0.0008    0.0008   -0.0007
z     0.0004   -0.0002    0.0001   -0.0001    0.0000    0.0002   -0.0003    0.0003   -0.0003    0.0003
z    -0.0003    0.0003   -0.0002    0.0002   -0.0002    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001
z     0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 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
-10.938   0.000   0.042   0.000   0.003   0.199   0.000  -0.006
  0.000 -11.267   0.000  -0.102   0.000   0.000   0.239   0.000
  0.042   0.000 -11.241   0.000  -0.024  -0.006   0.000   0.237
  0.000  -0.102   0.000 -11.149   0.000   0.000   0.012   0.000
  0.003   0.000  -0.024   0.000 -10.935   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.237   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.225   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.198   0.000   0.000   0.000
  0.036   0.000   0.100   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.026   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.938   0.000   0.042   0.000   0.003   0.199   0.000  -0.006
  0.000 -11.267   0.000  -0.102   0.000   0.000   0.239   0.000
  0.042   0.000 -11.241   0.000  -0.024  -0.006   0.000   0.237
  0.000  -0.102   0.000 -11.149   0.000   0.000   0.012   0.000
  0.003   0.000  -0.024   0.000 -10.935   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.237   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.225   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.198   0.000   0.000   0.000
  0.036   0.000   0.100   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.026   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.960   0.000  -0.027   0.000   0.002   0.022   0.000   0.058   0.000  -0.014  -0.027   0.025   0.000   0.000   0.000   0.000
  0.000   1.585   0.000  -0.148   0.000   0.000   0.596   0.000   0.262   0.000   0.000   0.000   0.161   0.000   0.107  -0.035
 -0.027   0.000   1.790   0.000   0.019   0.044   0.000   0.352   0.000  -0.027  -0.231  -0.042   0.000   0.096   0.000   0.000
  0.000  -0.148   0.000   1.756   0.000   0.000   0.262   0.000   0.293   0.000   0.000   0.000   0.109   0.000   0.039   0.005
  0.002   0.000   0.019   0.000   1.966  -0.014   0.000  -0.036   0.000   0.004   0.011  -0.015   0.000   0.003   0.000   0.000
  0.022   0.000   0.044   0.000  -0.014   0.064   0.000   0.102   0.000  -0.025   0.195  -0.053   0.000   0.116   0.000   0.000
  0.000   0.596   0.000   0.262   0.000   0.000   0.330   0.000   0.108   0.000   0.000   0.000   0.058   0.000   0.066  -0.011
  0.058   0.000   0.352   0.000  -0.036   0.102   0.000   0.556   0.000  -0.058   0.697  -0.289   0.000   0.088   0.000   0.000
  0.000   0.262   0.000   0.293   0.000   0.000   0.108   0.000   0.205   0.000   0.000   0.000   0.065   0.000  -0.019  -0.006
 -0.014   0.000  -0.027   0.000   0.004  -0.025   0.000  -0.058   0.000   0.036  -0.111   0.031   0.000  -0.068   0.000   0.000
 -0.027   0.000  -0.231   0.000   0.011   0.195   0.000   0.697   0.000  -0.111   1.352  -0.432   0.000   0.268   0.000   0.000
  0.025   0.000  -0.042   0.000  -0.015  -0.053   0.000  -0.289   0.000   0.031  -0.432   0.191   0.000  -0.035   0.000   0.000
  0.000   0.161   0.000   0.109   0.000   0.000   0.058   0.000   0.065   0.000   0.000   0.000   0.044   0.000   0.012  -0.004
  0.000   0.000   0.096   0.000   0.003   0.116   0.000   0.088   0.000  -0.068   0.268  -0.035   0.000   0.307   0.000   0.000
  0.000   0.107   0.000   0.039   0.000   0.000   0.066   0.000  -0.019   0.000   0.000   0.000   0.012   0.000   0.031  -0.002
  0.000  -0.035   0.000   0.005   0.000   0.000  -0.011   0.000  -0.006   0.000   0.000   0.000  -0.004   0.000  -0.002   0.001
  0.002   0.000  -0.037   0.000  -0.001  -0.005   0.000  -0.009   0.000   0.003  -0.007   0.000   0.000  -0.014   0.000   0.000
  0.000   0.005   0.000  -0.041   0.000   0.000  -0.006   0.000  -0.004   0.000   0.000   0.000  -0.002   0.000  -0.002   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        0.639   0.275   8.027   8.941
  2        0.514   0.028   0.000   0.542
  3        0.514   0.028   0.000   0.542
  4        0.864   1.783   0.000   2.646
  5        0.864   1.782   0.000   2.646
  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   2.647
  9        0.864   1.783   0.000   2.646
 10        0.864   1.784   0.000   2.647
 11        0.863   1.782   0.000   2.645
 12        0.864   1.784   0.000   2.648
 13        0.864   1.782   0.000   2.646
 14        0.864   1.784   0.000   2.647
 15        0.864   1.784   0.000   2.648
 16        0.863   1.776   0.000   2.640
 17        0.856   1.772   0.000   2.629
 18        0.864   1.784   0.000   2.647
 19        0.864   1.782   0.000   2.646
 20        0.864   1.782   0.000   2.645
 21        0.863   1.781   0.000   2.644
 22        0.863   1.776   0.000   2.639
 23        0.863   1.783   0.000   2.646
 24        0.864   1.783   0.000   2.646
 25        0.863   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   1.783   0.000   2.647
 29        0.864   1.783   0.000   2.646
 30        0.864   1.783   0.000   2.647
 31        0.864   1.783   0.000   2.647
 32        0.864   1.782   0.000   2.646
 33        0.863   1.782   0.000   2.646
 34        0.864   1.782   0.000   2.646
 35        0.863   1.783   0.000   2.646
 36        0.863   1.776   0.000   2.639
 37        0.863   1.781   0.000   2.644
 38        0.864   1.782   0.000   2.645
 39        0.864   1.784   0.000   2.647
 40        0.864   1.784   0.000   2.647
 41        0.856   1.772   0.000   2.629
 42        0.863   1.776   0.000   2.640
 43        0.864   1.784   0.000   2.648
 44        0.864   1.783   0.000   2.646
 45        0.864   1.782   0.000   2.646
 46        0.864   1.784   0.000   2.648
 47        0.863   1.782   0.000   2.645
 48        0.864   1.784   0.000   2.647
 49        0.864   1.783   0.000   2.646
 50        0.864   1.783   0.000   2.647
 51        0.864   1.783   0.000   2.647
 52        0.864   1.782   0.000   2.646
 53        0.864   1.782   0.000   2.646
------------------------------------------------
tot       44.830  89.422   8.027 142.279
 


 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   90.33: CPU time   45.59
    FORLOC:  VPU time    1.09: CPU time    1.10
    FORNL :  VPU time  363.56: CPU time  182.12
    STRESS:  VPU time 1093.30: CPU time  549.45
    FORCOR:  VPU time    7.43: CPU time    7.44
    FORHAR:  VPU time    1.97: CPU time    1.97
    MIXING:  VPU time    0.14: CPU time    0.13
 d Force = 0.5461614E-05[ 0.532E-05, 0.560E-05]  d Energy =-0.6365008E-05 0.118E-04
 d Force = 0.2534152E+00[ 0.253E+00, 0.253E+00]  d Ewald  = 0.2913208E+01-0.266E+01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.644907 eV

  energy  without entropy=     -471.644907  energy(sigma->0) =     -471.644907
 

  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    40710.79  40727.78 -47412.03     14.72      0.00      0.00
  Hartree  40176.87  40180.64 -39431.10      3.27      0.00      0.00
  E(xc)     -779.71   -779.52   -807.24      0.17      0.00      0.00
  Local   -83180.91 -83195.44  84160.50    -12.59      0.00      0.00
  n-local   -215.76   -215.68   -203.83     -0.18      0.00      0.00
  augment     22.10     20.52     17.37     -1.37      0.00      0.00
  Kinetic   3168.43   3171.11   3582.01     -6.14      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.49     -0.43     -0.39      0.05      0.00      0.00
  in kB       -0.30     -0.26     -0.24      0.03      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
    12.348532766  0.001422422  0.000000000     0.080975897  0.046739088  0.000000000
    -6.173041172 10.694850338  0.000000000    -0.000010770  0.093496728  0.000000000
     0.000000000  0.000000000 19.974044974     0.000000000  0.000000000  0.050064972

  length of vectors
    12.348532848 12.348532749 19.974044974     0.093496728  0.093496729  0.050064972


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.402E-05 -.457E-04 -.959E+03   0.429E-05 -.274E-04 0.967E+03   -.981E-22 -.560E-22 -.794E+01   -.212E-07 0.135E-07 -.417E-02
   -.176E+02 -.305E+02 -.136E+03   0.184E+02 0.319E+02 0.138E+03   -.832E+00 -.144E+01 -.258E+01   0.331E-04 0.562E-04 -.985E-03
   0.176E+02 0.305E+02 -.136E+03   -.184E+02 -.319E+02 0.138E+03   0.832E+00 0.144E+01 -.258E+01   -.331E-04 -.562E-04 -.985E-03
   -.198E+01 0.115E+01 0.173E+02   0.199E+01 -.115E+01 -.173E+02   -.904E-02 0.522E-02 -.656E-02   0.347E-04 -.229E-04 0.199E-02
   0.579E+01 0.687E+01 0.200E+02   -.579E+01 -.691E+01 -.200E+02   0.621E-02 0.341E-01 -.168E-01   0.475E-04 -.637E-04 0.159E-02
   0.112E+02 0.506E+01 0.184E+02   -.112E+02 -.508E+01 -.183E+02   0.261E-01 0.808E-02 -.525E-01   -.107E-04 -.295E-04 0.462E-03
   0.452E+01 -.989E+00 0.163E+02   -.455E+01 0.100E+01 -.163E+02   0.186E-01 -.202E-01 -.256E-02   0.175E-03 0.104E-03 0.119E-03
   -.293E+01 -.241E+01 0.151E+02   0.294E+01 0.243E+01 -.151E+02   -.148E-01 -.148E-01 -.801E-03   0.147E-03 -.105E-03 0.101E-02
   0.623E+00 0.374E+01 0.151E+02   -.630E+00 -.376E+01 -.151E+02   0.540E-02 0.202E-01 -.801E-03   0.159E-03 -.810E-04 0.101E-02
   0.271E+01 0.182E+02 0.246E+02   -.272E+01 -.183E+02 -.246E+02   0.980E-02 0.109E+00 -.967E-02   0.977E-05 -.137E-03 0.546E-03
   0.214E+02 0.225E+02 0.395E+02   -.215E+02 -.228E+02 -.395E+02   0.118E+00 0.229E+00 -.203E-01   -.230E-03 -.315E-03 0.208E-03
   0.264E+02 -.448E+01 0.268E+02   -.267E+02 0.460E+01 -.267E+02   0.238E+00 -.118E+00 -.596E-01   -.217E-03 0.496E-04 -.107E-03
   0.918E+01 -.530E+01 0.156E+02   -.920E+01 0.531E+01 -.156E+02   0.141E-01 -.812E-02 0.509E-02   0.894E-04 -.579E-04 0.430E-03
   0.312E+01 -.342E+01 0.163E+02   -.314E+01 0.344E+01 -.163E+02   0.268E-01 -.596E-02 -.256E-02   -.493E-05 -.208E-03 0.111E-03
   -.606E+01 0.132E+02 0.198E+02   0.607E+01 -.132E+02 -.198E+02   -.330E-02 0.753E-01 -.125E-01   0.124E-03 -.668E-04 0.734E-04
   -.122E+02 0.334E+02 0.459E+02   0.123E+02 -.341E+02 -.463E+02   -.921E-01 0.677E+00 0.349E+00   0.271E-03 -.629E-03 -.263E-03
   0.263E+02 -.152E+02 0.695E+02   -.272E+02 0.157E+02 -.715E+02   0.962E+00 -.555E+00 0.209E+01   -.626E-03 0.359E-03 -.204E-02
   0.171E+02 -.207E+02 0.268E+02   -.173E+02 0.208E+02 -.267E+02   0.221E+00 -.147E+00 -.596E-01   -.154E-03 0.156E-03 -.112E-03
   0.122E+01 -.122E+02 0.184E+02   -.122E+01 0.123E+02 -.183E+02   0.607E-02 -.267E-01 -.525E-01   0.232E-04 0.228E-04 0.456E-03
   -.389E+01 0.152E+01 0.145E+02   0.389E+01 -.152E+01 -.144E+02   -.743E-02 0.541E-02 -.414E-01   0.596E-04 -.143E-03 0.600E-03
   -.182E+02 0.105E+02 0.210E+02   0.182E+02 -.105E+02 -.209E+02   -.628E-01 0.363E-01 -.125E+00   0.180E-03 -.100E-03 -.234E-03
   -.350E+02 -.610E+01 0.459E+02   0.357E+02 0.636E+01 -.463E+02   -.632E+00 -.259E+00 0.349E+00   0.683E-03 0.786E-04 -.260E-03
   -.883E+01 -.298E+02 0.395E+02   0.897E+01 0.300E+02 -.395E+02   -.139E+00 -.217E+00 -.203E-01   0.161E-03 0.352E-03 0.206E-03
   -.306E+01 -.845E+01 0.200E+02   0.308E+01 0.847E+01 -.200E+02   -.265E-01 -.224E-01 -.168E-01   0.806E-04 -.112E-04 0.159E-02
   0.126E+01 -.728E+00 0.149E+02   -.126E+01 0.727E+00 -.149E+02   -.148E-02 0.852E-03 -.323E-01   0.437E-04 -.232E-04 0.158E-02
   -.326E+01 0.261E+01 0.145E+02   0.326E+01 -.262E+01 -.144E+02   -.840E-02 0.373E-02 -.414E-01   0.156E-03 0.245E-04 0.605E-03
   -.144E+02 -.133E+01 0.198E+02   0.145E+02 0.136E+01 -.198E+02   -.669E-01 -.348E-01 -.125E-01   0.122E-03 -.756E-04 0.811E-04
   -.144E+02 -.114E+02 0.246E+02   0.145E+02 0.115E+02 -.246E+02   -.892E-01 -.628E-01 -.967E-02   0.125E-03 0.549E-04 0.549E-03
   0.306E+01 0.845E+01 0.200E+02   -.308E+01 -.847E+01 -.200E+02   0.265E-01 0.224E-01 -.168E-01   -.807E-04 0.112E-04 0.159E-02
   0.144E+02 0.114E+02 0.246E+02   -.145E+02 -.115E+02 -.246E+02   0.892E-01 0.628E-01 -.967E-02   -.125E-03 -.548E-04 0.549E-03
   0.144E+02 0.133E+01 0.198E+02   -.145E+02 -.136E+01 -.198E+02   0.669E-01 0.348E-01 -.125E-01   -.122E-03 0.756E-04 0.811E-04
   0.326E+01 -.261E+01 0.145E+02   -.326E+01 0.262E+01 -.144E+02   0.840E-02 -.373E-02 -.414E-01   -.155E-03 -.245E-04 0.605E-03
   -.126E+01 0.728E+00 0.149E+02   0.126E+01 -.727E+00 -.149E+02   0.148E-02 -.852E-03 -.323E-01   -.436E-04 0.231E-04 0.158E-02
   -.122E+01 0.122E+02 0.184E+02   0.122E+01 -.123E+02 -.183E+02   -.607E-02 0.267E-01 -.525E-01   -.232E-04 -.228E-04 0.456E-03
   0.883E+01 0.298E+02 0.395E+02   -.897E+01 -.300E+02 -.395E+02   0.139E+00 0.217E+00 -.203E-01   -.161E-03 -.352E-03 0.206E-03
   0.350E+02 0.610E+01 0.459E+02   -.357E+02 -.636E+01 -.463E+02   0.632E+00 0.259E+00 0.349E+00   -.683E-03 -.786E-04 -.260E-03
   0.182E+02 -.105E+02 0.210E+02   -.182E+02 0.105E+02 -.209E+02   0.628E-01 -.363E-01 -.125E+00   -.180E-03 0.100E-03 -.234E-03
   0.389E+01 -.152E+01 0.145E+02   -.390E+01 0.152E+01 -.144E+02   0.743E-02 -.541E-02 -.414E-01   -.596E-04 0.143E-03 0.600E-03
   -.312E+01 0.342E+01 0.163E+02   0.314E+01 -.344E+01 -.163E+02   -.268E-01 0.596E-02 -.256E-02   0.495E-05 0.208E-03 0.111E-03
   -.171E+02 0.207E+02 0.268E+02   0.173E+02 -.208E+02 -.267E+02   -.221E+00 0.147E+00 -.596E-01   0.154E-03 -.156E-03 -.112E-03
   -.263E+02 0.152E+02 0.695E+02   0.272E+02 -.157E+02 -.715E+02   -.962E+00 0.555E+00 0.209E+01   0.626E-03 -.359E-03 -.204E-02
   0.122E+02 -.334E+02 0.459E+02   -.123E+02 0.341E+02 -.463E+02   0.921E-01 -.677E+00 0.349E+00   -.271E-03 0.629E-03 -.263E-03
   0.606E+01 -.132E+02 0.198E+02   -.607E+01 0.132E+02 -.198E+02   0.330E-02 -.753E-01 -.125E-01   -.124E-03 0.668E-04 0.734E-04
   -.623E+00 -.374E+01 0.151E+02   0.630E+00 0.376E+01 -.151E+02   -.540E-02 -.202E-01 -.801E-03   -.159E-03 0.810E-04 0.101E-02
   -.918E+01 0.530E+01 0.156E+02   0.920E+01 -.531E+01 -.156E+02   -.141E-01 0.812E-02 0.509E-02   -.894E-04 0.579E-04 0.430E-03
   -.264E+02 0.448E+01 0.268E+02   0.267E+02 -.460E+01 -.267E+02   -.238E+00 0.118E+00 -.596E-01   0.217E-03 -.497E-04 -.107E-03
   -.214E+02 -.225E+02 0.395E+02   0.215E+02 0.228E+02 -.395E+02   -.118E+00 -.229E+00 -.203E-01   0.230E-03 0.315E-03 0.208E-03
   -.271E+01 -.182E+02 0.246E+02   0.272E+01 0.183E+02 -.246E+02   -.980E-02 -.109E+00 -.967E-02   -.979E-05 0.137E-03 0.546E-03
   0.198E+01 -.115E+01 0.173E+02   -.199E+01 0.115E+01 -.173E+02   0.904E-02 -.522E-02 -.656E-02   -.347E-04 0.230E-04 0.199E-02
   0.293E+01 0.241E+01 0.151E+02   -.294E+01 -.243E+01 -.151E+02   0.148E-01 0.148E-01 -.801E-03   -.147E-03 0.105E-03 0.101E-02
   -.452E+01 0.989E+00 0.163E+02   0.455E+01 -.100E+01 -.163E+02   -.186E-01 0.202E-01 -.256E-02   -.175E-03 -.104E-03 0.119E-03
   -.112E+02 -.506E+01 0.184E+02   0.112E+02 0.508E+01 -.183E+02   -.261E-01 -.808E-02 -.525E-01   0.107E-04 0.295E-04 0.462E-03
   -.579E+01 -.687E+01 0.200E+02   0.579E+01 0.691E+01 -.200E+02   -.621E-02 -.341E-01 -.168E-01   -.475E-04 0.637E-04 0.159E-02
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.306E-03 0.870E+01   -.200E-12 -.195E-12 -.377E-12   0.579E-15 -.902E-16 -.872E+01   -.300E-07 0.192E-07 0.142E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85297      6.06103     12.33758         0.000000      0.000000     -0.025344
      2.26214      6.76974     13.65380         0.004662      0.008075      0.015071
      1.44380      5.35233     13.65380        -0.004662     -0.008075      0.015071
      0.00057     -0.00033      9.95450         0.000984     -0.000568     -0.003162
     11.11313      2.13919      9.95649        -0.000447      0.001921     -0.000512
      9.87742      4.27893      9.96937         0.003351     -0.004167      0.001016
      8.64405      6.41842      9.96885        -0.003705     -0.007368     -0.000097
     -4.93678      8.55592      9.96356        -0.000979      0.001557     -0.001473
      2.47049     -0.00117      9.96356        -0.001838      0.000069     -0.001473
      1.23477      2.13618      9.96912         0.001841     -0.005047     -0.001339
     -0.00410      4.27497      9.99850         0.003946      0.003617     -0.002002
     -1.23866      6.41626     10.00425         0.004662     -0.000396     -0.000619
     -2.46733      8.55536      9.97646        -0.008330      0.004809      0.001764
      4.93900      0.00109      9.96885         0.004529      0.006892     -0.000097
      3.70508      2.13651      9.97710         0.005361      0.000970     -0.001181
      2.47081      4.26337     10.04161         0.000243     -0.002654      0.003666
      1.22852      6.42156     10.11265        -0.002455      0.001417      0.008675
     -0.00048      8.56085     10.00425         0.002674     -0.003840     -0.000619
      7.40855      0.00271      9.96937         0.005285     -0.000818      0.001016
      6.17389      2.13998      9.96936        -0.000304      0.008778     -0.000872
      4.94065      4.27836      9.99814        -0.000775      0.000447      0.000027
      3.71872      6.42480     10.04161         0.002420      0.001117      0.003666
      2.47121      8.56234      9.99850        -0.001160     -0.005226     -0.002002
      9.87947      0.00243      9.95649        -0.001887     -0.000574     -0.000512
      8.64338      2.14059      9.95960         0.000393     -0.000227     -0.002881
      7.40916      4.27954      9.96936        -0.007754     -0.004126     -0.000872
      6.17776      6.41933      9.97710         0.001841     -0.005128     -0.001181
      4.94289      8.55884      9.96912         0.005291      0.000930     -0.001339
     -0.00048      1.42478      9.95649         0.001887      0.000574     -0.000512
     -1.23694      3.56322      9.96912        -0.005291     -0.000930     -0.001339
     -2.47181      5.70274      9.97710        -0.001841      0.005128     -0.001181
     -3.70321      7.84252      9.96936         0.007754      0.004126     -0.000872
     -4.93743      9.98147      9.95960        -0.000393      0.000227     -0.002881
      2.47044      1.42450      9.96937        -0.005285      0.000818      0.001016
      1.23474      3.55973      9.99850         0.001160      0.005226     -0.002002
     -0.01277      5.69726     10.04161        -0.002420     -0.001117      0.003666
     -1.23470      7.84370      9.99814         0.000775     -0.000447      0.000027
     -2.46794      9.98208      9.96936         0.000304     -0.008778     -0.000872
      4.93999      1.42612      9.96885        -0.004529     -0.006892     -0.000097
      3.70643      3.56122     10.00425        -0.002674      0.003840     -0.000619
      2.47743      5.70050     10.11265         0.002455     -0.001417      0.008675
      1.23514      7.85870     10.04161        -0.000243      0.002654      0.003666
      0.00087      9.98555      9.97710        -0.005361     -0.000970     -0.001181
      7.40850      1.42838      9.96356         0.001838     -0.000069     -0.001473
      6.17328      3.56671      9.97646         0.008330     -0.004809      0.001764
      4.94461      5.70580     10.00425        -0.004662      0.000396     -0.000619
      3.71005      7.84710      9.99850        -0.003946     -0.003617     -0.002002
      2.47118      9.98589      9.96912        -0.001841      0.005047     -0.001339
      9.87842      1.42754      9.95450        -0.000984      0.000568     -0.003162
      8.64273      3.56614      9.96356         0.000979     -0.001557     -0.001473
      7.41043      5.70506      9.96885         0.003705      0.007368     -0.000097
      6.17706      7.84456      9.96937        -0.003351      0.004167      0.001016
      4.94135      9.98430      9.95649         0.000447     -0.001921     -0.000512
 -----------------------------------------------------------------------------------
    total drift:                               -0.001814      0.000306     -0.006935


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




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


    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  150.88: CPU time   75.53
     LOOP+:  VPU time 4355.01: CPU time 2223.52


----------------------------------------- Iteration   29(   1)  ---------------------------------------


    POTLOK:  VPU time    7.81: CPU time    7.73
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1462.73: CPU time  747.08
 BZINTS: Fermi energy: -3.147754;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   90.28: CPU time   45.55
    MIXING:  VPU time    0.13: CPU time    0.12
    ------------------------------------------
      LOOP:  VPU time 1561.30: CPU time  800.80

 eigenvalue-minimisations  :  6000
 total energy-change (2. order) :-0.4716449E+03  (-0.2660338E-03)
 number of electron  212.0000031 magnetization    0.0000000
 augmentation part     7.9589440 magnetization    0.0000006

 Broyden mixing:
  rms(total) = 0.14689E-02    rms(broyden)= 0.14685E-02
  rms(prec ) = 0.16629E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34020.73985254
  -1/2 Hartree   DENC   =    -40921.50275366
  -V(xc)+E(xc)   XCENC  =       726.56869779
  PAW double counting   =      4092.01942416    -4130.38996516
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2464.52001977
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64491049 eV

  energy without entropy =     -471.64491049  energy(sigma->0) =     -471.64491049


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




----------------------------------------- Iteration   29(   2)  ---------------------------------------


    POTLOK:  VPU time    7.73: CPU time    7.73
    SETDIJ:  VPU time    0.28: CPU time    0.29
    EDDAV :  VPU time 1100.72: CPU time  562.47
 BZINTS: Fermi energy: -3.148144;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1108.79: CPU time  570.51

 eigenvalue-minimisations  :  3984
 total energy-change (2. order) : 0.8756011E-05  (-0.4137478E-05)
 number of electron  212.0000031 magnetization    0.0000000
 augmentation part     7.9589440 magnetization    0.0000006

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34020.73985254
  -1/2 Hartree   DENC   =    -40921.30241605
  -V(xc)+E(xc)   XCENC  =       726.56308165
  PAW double counting   =      4091.84738092    -4130.21725497
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2464.71539944
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64490174 eV

  energy without entropy =     -471.64490174  energy(sigma->0) =     -471.64490174


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




 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 -58.5324       2 -39.9766       3 -39.9766       4 -58.2438       5 -58.2483
       6 -58.2555       7 -58.2462       8 -58.2445       9 -58.2445      10 -58.2603
      11 -58.3152      12 -58.2919      13 -58.2494      14 -58.2462      15 -58.2571
      16 -58.4368      17 -58.7296      18 -58.2919      19 -58.2555      20 -58.2497
      21 -58.2768      22 -58.4368      23 -58.3152      24 -58.2483      25 -58.2435
      26 -58.2497      27 -58.2572      28 -58.2604      29 -58.2482      30 -58.2602
      31 -58.2570      32 -58.2497      33 -58.2434      34 -58.2554      35 -58.3151
      36 -58.4368      37 -58.2767      38 -58.2497      39 -58.2460      40 -58.2918
      41 -58.7295      42 -58.4368      43 -58.2570      44 -58.2444      45 -58.2493
      46 -58.2918      47 -58.3151      48 -58.2603      49 -58.2437      50 -58.2444
      51 -58.2460      52 -58.2555      53 -58.2482
 
 
 
 E-fermi :  -3.1481     XC(G=0):  -2.3389     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     -22.3527      1.00000
      2     -21.5324      1.00000
      3     -21.4034      1.00000
      4     -21.4028      1.00000
      5     -21.3716      1.00000
      6     -21.3626      1.00000
      7     -21.3550      1.00000
      8     -19.6425      1.00000
      9     -19.5687      1.00000
     10     -19.5619      1.00000
     11     -19.5554      1.00000
     12     -19.5377      1.00000
     13     -19.5346      1.00000
     14     -18.7247      1.00000
     15     -18.6770      1.00000
     16     -18.6689      1.00000
     17     -18.6558      1.00000
     18     -18.6404      1.00000
     19     -18.6387      1.00000
     20     -16.5826      1.00000
     21     -16.5244      1.00000
     22     -16.5219      1.00000
     23     -16.5088      1.00000
     24     -16.4851      1.00000
     25     -16.4829      1.00000
     26     -15.5553      1.00000
     27     -15.5238      1.00000
     28     -15.5230      1.00000
     29     -15.4969      1.00000
     30     -15.4915      1.00000
     31     -15.4860      1.00000
     32     -14.2035      1.00000
     33     -14.1774      1.00000
     34     -14.1652      1.00000
     35     -14.1623      1.00000
     36     -14.1575      1.00000
     37     -14.1465      1.00000
     38     -11.8804      1.00000
     39     -11.8063      1.00000
     40     -11.7902      1.00000
     41     -11.7899      1.00000
     42     -11.7864      1.00000
     43     -11.7810      1.00000
     44     -11.7019      1.00000
     45     -11.6956      1.00000
     46     -11.6705      1.00000
     47     -11.6551      1.00000
     48     -11.6550      1.00000
     49     -11.6483      1.00000
     50     -10.6676      1.00000
     51     -10.3263      1.00000
     52     -10.3184      1.00000
     53     -10.3033      1.00000
     54     -10.3014      1.00000
     55     -10.2889      1.00000
     56     -10.2757      1.00000
     57      -9.9212      1.00000
     58      -9.3698      1.00000
     59      -9.3569      1.00000
     60      -9.2979      1.00000
     61      -9.2897      1.00000
     62      -9.2828      1.00000
     63      -9.0897      1.00000
     64      -9.0517      1.00000
     65      -9.0472      1.00000
     66      -9.0244      1.00000
     67      -9.0051      1.00000
     68      -8.9996      1.00000
     69      -8.9993      1.00000
     70      -8.9925      1.00000
     71      -8.9904      1.00000
     72      -8.9709      1.00000
     73      -8.9625      1.00000
     74      -8.9535      1.00000
     75      -8.4858      1.00000
     76      -7.5172      1.00000
     77      -7.4085      1.00000
     78      -7.4085      1.00000
     79      -7.3956      1.00000
     80      -7.3818      1.00000
     81      -7.3630      1.00000
     82      -7.3390      1.00000
     83      -7.3098      1.00000
     84      -7.2651      1.00000
     85      -7.2046      1.00000
     86      -7.1786      1.00000
     87      -7.1781      1.00000
     88      -7.0797      1.00000
     89      -6.5054      1.00000
     90      -6.4589      1.00000
     91      -6.3529      1.00000
     92      -6.2925      1.00000
     93      -6.2864      1.00000
     94      -6.2850      1.00000
     95      -5.8959      1.00000
     96      -5.8837      1.00000
     97      -5.0398      1.00000
     98      -4.9354      1.00000
     99      -4.5360      1.00000
    100      -4.3398      1.00000
    101      -4.3175      1.00000
    102      -4.3161      1.00000
    103      -4.1152      1.00000
    104      -3.9113      1.00000
    105      -3.9004      1.00000
    106      -3.8254      1.00000
    107      -1.6816      0.00000
    108      -1.6671      0.00000
    109      -1.5365      0.00000
    110      -1.5343      0.00000
    111      -1.5236      0.00000
    112      -1.5087      0.00000
    113      -0.5884      0.00000
    114       0.1340      0.00000
    115       0.2071      0.00000
    116       0.3244      0.00000
    117       0.3266      0.00000
    118       0.3338      0.00000
    119       0.4934      0.00000
    120       0.6103      0.00000
    121       1.2616      0.00000
    122       1.2898      0.00000
    123       1.5443      0.00000
    124       1.7555      0.00000
    125       1.8174      0.00000
    126       1.8211      0.00000
    127       1.8267      0.00000
    128       1.9474      0.00000
    129       1.9937      0.00000
    130       2.0309      0.00000
    131       2.0449      0.00000
    132       2.0503      0.00000
    133       2.0572      0.00000
    134       2.0662      0.00000
    135       2.3185      0.00000
    136       2.3300      0.00000
    137       2.6497      0.00000
    138       2.6584      0.00000
    139       2.6904      0.00000
    140       2.7383      0.00000
    141       2.8875      0.00000
    142       2.9946      0.00000
    143       3.0124      0.00000
    144       3.0386      0.00000
    145       3.0409      0.00000
    146       3.0414      0.00000
    147       3.0861      0.00000
    148       3.2517      0.00000
    149       3.4414      0.00000
    150       3.5584      0.00000
    151       3.7832      0.00000
    152       3.9497      0.00000
    153       3.9640      0.00000
    154       3.9693      0.00000
    155       3.9715      0.00000
    156       4.0092      0.00000
    157       4.1870      0.00000
    158       4.2683      0.00000
    159       4.2942      0.00000
    160       4.2956      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3161      1.00000
      2     -21.7576      1.00000
      3     -21.5670      1.00000
      4     -21.5344      1.00000
      5     -21.2042      1.00000
      6     -21.1596      1.00000
      7     -20.9838      1.00000
      8     -20.0982      1.00000
      9     -20.0544      1.00000
     10     -19.5430      1.00000
     11     -19.5186      1.00000
     12     -19.3460      1.00000
     13     -19.0215      1.00000
     14     -18.9867      1.00000
     15     -18.9783      1.00000
     16     -18.9662      1.00000
     17     -18.2944      1.00000
     18     -18.2753      1.00000
     19     -17.9491      1.00000
     20     -17.0065      1.00000
     21     -16.9571      1.00000
     22     -16.8759      1.00000
     23     -16.8668      1.00000
     24     -16.4024      1.00000
     25     -16.3880      1.00000
     26     -15.5487      1.00000
     27     -15.5332      1.00000
     28     -15.1947      1.00000
     29     -15.1664      1.00000
     30     -15.1119      1.00000
     31     -15.0252      1.00000
     32     -15.0003      1.00000
     33     -14.6336      1.00000
     34     -14.6219      1.00000
     35     -13.6648      1.00000
     36     -13.6496      1.00000
     37     -13.1672      1.00000
     38     -12.5487      1.00000
     39     -12.5158      1.00000
     40     -12.3881      1.00000
     41     -12.3751      1.00000
     42     -12.0549      1.00000
     43     -12.0323      1.00000
     44     -11.6563      1.00000
     45     -11.6146      1.00000
     46     -11.1783      1.00000
     47     -11.1553      1.00000
     48     -10.9619      1.00000
     49     -10.9381      1.00000
     50     -10.8703      1.00000
     51     -10.8348      1.00000
     52     -10.5978      1.00000
     53     -10.0907      1.00000
     54     -10.0860      1.00000
     55     -10.0432      1.00000
     56      -9.9674      1.00000
     57      -9.6514      1.00000
     58      -9.6269      1.00000
     59      -9.5894      1.00000
     60      -9.5271      1.00000
     61      -9.5091      1.00000
     62      -9.4772      1.00000
     63      -9.2612      1.00000
     64      -9.2387      1.00000
     65      -9.2183      1.00000
     66      -9.1643      1.00000
     67      -9.0660      1.00000
     68      -9.0445      1.00000
     69      -9.0390      1.00000
     70      -8.8800      1.00000
     71      -8.8043      1.00000
     72      -8.5728      1.00000
     73      -8.5208      1.00000
     74      -8.4526      1.00000
     75      -8.0335      1.00000
     76      -7.8082      1.00000
     77      -7.8047      1.00000
     78      -7.7905      1.00000
     79      -7.6985      1.00000
     80      -7.6887      1.00000
     81      -7.3683      1.00000
     82      -7.2712      1.00000
     83      -7.2632      1.00000
     84      -7.2162      1.00000
     85      -7.1714      1.00000
     86      -7.0077      1.00000
     87      -6.9459      1.00000
     88      -6.7440      1.00000
     89      -6.6703      1.00000
     90      -6.5929      1.00000
     91      -6.5577      1.00000
     92      -6.0490      1.00000
     93      -6.0449      1.00000
     94      -6.0200      1.00000
     95      -5.9576      1.00000
     96      -5.7348      1.00000
     97      -5.1502      1.00000
     98      -4.9874      1.00000
     99      -4.7166      1.00000
    100      -4.6100      1.00000
    101      -4.4381      1.00000
    102      -4.3726      1.00000
    103      -4.1205      1.00000
    104      -3.8671      1.00000
    105      -3.8263      1.00000
    106      -3.7895      1.00000
    107      -1.7845      0.00000
    108      -1.7384      0.00000
    109      -1.3946      0.00000
    110      -1.3454      0.00000
    111      -1.2650      0.00000
    112      -1.2256      0.00000
    113      -0.7461      0.00000
    114      -0.3803      0.00000
    115      -0.2202      0.00000
    116      -0.0204      0.00000
    117       0.5984      0.00000
    118       0.7414      0.00000
    119       0.7657      0.00000
    120       1.0506      0.00000
    121       1.1417      0.00000
    122       1.2517      0.00000
    123       1.2808      0.00000
    124       1.4249      0.00000
    125       1.4927      0.00000
    126       1.6042      0.00000
    127       1.7457      0.00000
    128       1.8408      0.00000
    129       1.8940      0.00000
    130       1.9628      0.00000
    131       2.1002      0.00000
    132       2.2565      0.00000
    133       2.2648      0.00000
    134       2.3241      0.00000
    135       2.5022      0.00000
    136       2.5908      0.00000
    137       2.6525      0.00000
    138       2.7836      0.00000
    139       2.7948      0.00000
    140       2.8142      0.00000
    141       2.8709      0.00000
    142       2.8860      0.00000
    143       2.9415      0.00000
    144       3.1186      0.00000
    145       3.2952      0.00000
    146       3.3096      0.00000
    147       3.3450      0.00000
    148       3.3697      0.00000
    149       3.4777      0.00000
    150       3.5734      0.00000
    151       3.6248      0.00000
    152       3.6819      0.00000
    153       3.7170      0.00000
    154       3.9244      0.00000
    155       3.9396      0.00000
    156       3.9948      0.00000
    157       4.0852      0.00000
    158       4.2160      0.00000
    159       4.2620      0.00000
    160       4.3045      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2103      1.00000
      2     -22.0043      1.00000
      3     -21.6456      1.00000
      4     -21.6088      1.00000
      5     -20.9094      1.00000
      6     -20.8633      1.00000
      7     -20.5422      1.00000
      8     -20.5030      1.00000
      9     -20.4927      1.00000
     10     -19.9603      1.00000
     11     -19.4392      1.00000
     12     -19.4123      1.00000
     13     -19.2386      1.00000
     14     -19.2243      1.00000
     15     -18.3809      1.00000
     16     -18.3371      1.00000
     17     -17.8572      1.00000
     18     -17.8364      1.00000
     19     -17.6949      1.00000
     20     -17.6526      1.00000
     21     -17.3694      1.00000
     22     -17.3537      1.00000
     23     -17.2717      1.00000
     24     -16.3989      1.00000
     25     -16.3843      1.00000
     26     -15.8935      1.00000
     27     -15.3497      1.00000
     28     -15.3345      1.00000
     29     -15.0321      1.00000
     30     -15.0183      1.00000
     31     -14.7970      1.00000
     32     -14.7725      1.00000
     33     -14.2195      1.00000
     34     -14.1876      1.00000
     35     -13.3687      1.00000
     36     -13.3352      1.00000
     37     -13.1174      1.00000
     38     -13.1001      1.00000
     39     -12.9131      1.00000
     40     -12.8998      1.00000
     41     -12.5544      1.00000
     42     -12.5366      1.00000
     43     -12.1309      1.00000
     44     -11.5188      1.00000
     45     -11.4715      1.00000
     46     -11.2507      1.00000
     47     -11.2175      1.00000
     48     -11.0773      1.00000
     49     -10.6547      1.00000
     50     -10.5873      1.00000
     51     -10.5197      1.00000
     52     -10.2551      1.00000
     53     -10.2468      1.00000
     54     -10.1199      1.00000
     55     -10.0469      1.00000
     56     -10.0396      1.00000
     57      -9.7661      1.00000
     58      -9.7025      1.00000
     59      -9.6779      1.00000
     60      -9.6286      1.00000
     61      -9.6239      1.00000
     62      -9.5855      1.00000
     63      -9.2921      1.00000
     64      -9.2830      1.00000
     65      -9.2511      1.00000
     66      -9.0820      1.00000
     67      -8.8949      1.00000
     68      -8.8811      1.00000
     69      -8.7224      1.00000
     70      -8.5845      1.00000
     71      -8.5123      1.00000
     72      -8.3285      1.00000
     73      -8.3003      1.00000
     74      -8.2623      1.00000
     75      -8.2311      1.00000
     76      -8.1933      1.00000
     77      -8.1847      1.00000
     78      -8.1690      1.00000
     79      -8.0940      1.00000
     80      -7.6861      1.00000
     81      -7.3601      1.00000
     82      -7.3094      1.00000
     83      -7.2646      1.00000
     84      -7.1859      1.00000
     85      -7.1252      1.00000
     86      -7.0754      1.00000
     87      -6.9053      1.00000
     88      -6.8810      1.00000
     89      -6.5479      1.00000
     90      -6.4912      1.00000
     91      -6.2084      1.00000
     92      -6.0670      1.00000
     93      -5.9395      1.00000
     94      -5.7119      1.00000
     95      -5.6314      1.00000
     96      -5.4505      1.00000
     97      -5.3030      1.00000
     98      -5.2326      1.00000
     99      -5.1508      1.00000
    100      -5.1503      1.00000
    101      -4.5186      1.00000
    102      -4.4697      1.00000
    103      -4.1399      1.00000
    104      -3.8294      1.00000
    105      -3.7560      1.00000
    106      -3.6795      1.00000
    107      -1.8702      0.00000
    108      -1.8237      0.00000
    109      -1.2774      0.00000
    110      -1.0355      0.00000
    111      -1.0118      0.00000
    112      -0.7130      0.00000
    113      -0.6395      0.00000
    114      -0.5883      0.00000
    115      -0.5460      0.00000
    116      -0.2057      0.00000
    117       0.2519      0.00000
    118       0.2784      0.00000
    119       0.7719      0.00000
    120       0.9528      0.00000
    121       1.1371      0.00000
    122       1.2335      0.00000
    123       1.3250      0.00000
    124       1.4195      0.00000
    125       1.6143      0.00000
    126       1.6359      0.00000
    127       1.7271      0.00000
    128       1.8182      0.00000
    129       1.9386      0.00000
    130       2.0393      0.00000
    131       2.0687      0.00000
    132       2.2845      0.00000
    133       2.4009      0.00000
    134       2.4547      0.00000
    135       2.5585      0.00000
    136       2.6478      0.00000
    137       2.7094      0.00000
    138       2.7805      0.00000
    139       2.8495      0.00000
    140       2.8962      0.00000
    141       3.0545      0.00000
    142       3.1068      0.00000
    143       3.2103      0.00000
    144       3.2536      0.00000
    145       3.3985      0.00000
    146       3.4339      0.00000
    147       3.5059      0.00000
    148       3.5887      0.00000
    149       3.6148      0.00000
    150       3.6337      0.00000
    151       3.6561      0.00000
    152       3.7411      0.00000
    153       3.7546      0.00000
    154       3.7657      0.00000
    155       3.8080      0.00000
    156       3.9038      0.00000
    157       3.9944      0.00000
    158       4.0202      0.00000
    159       4.1934      0.00000
    160       4.2240      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2442      1.00000
      2     -21.8900      1.00000
      3     -21.8196      1.00000
      4     -21.3082      1.00000
      5     -21.2780      1.00000
      6     -20.7670      1.00000
      7     -20.7013      1.00000
      8     -20.5527      1.00000
      9     -20.0058      1.00000
     10     -19.9980      1.00000
     11     -19.6446      1.00000
     12     -19.6204      1.00000
     13     -18.9265      1.00000
     14     -18.9177      1.00000
     15     -18.5679      1.00000
     16     -18.5538      1.00000
     17     -18.3907      1.00000
     18     -17.6116      1.00000
     19     -17.5558      1.00000
     20     -17.5506      1.00000
     21     -17.5092      1.00000
     22     -17.0533      1.00000
     23     -17.0354      1.00000
     24     -16.8896      1.00000
     25     -15.9278      1.00000
     26     -15.8639      1.00000
     27     -15.5132      1.00000
     28     -15.5129      1.00000
     29     -15.2254      1.00000
     30     -14.7921      1.00000
     31     -14.7646      1.00000
     32     -14.5124      1.00000
     33     -14.4686      1.00000
     34     -14.0993      1.00000
     35     -14.0883      1.00000
     36     -13.0746      1.00000
     37     -13.0296      1.00000
     38     -12.9639      1.00000
     39     -12.9522      1.00000
     40     -12.6429      1.00000
     41     -12.6359      1.00000
     42     -12.2712      1.00000
     43     -12.2399      1.00000
     44     -11.5847      1.00000
     45     -11.5586      1.00000
     46     -11.5037      1.00000
     47     -10.9009      1.00000
     48     -10.8485      1.00000
     49     -10.6163      1.00000
     50     -10.5571      1.00000
     51     -10.4825      1.00000
     52     -10.4315      1.00000
     53     -10.4214      1.00000
     54     -10.3694      1.00000
     55     -10.2908      1.00000
     56     -10.0616      1.00000
     57      -9.8306      1.00000
     58      -9.5452      1.00000
     59      -9.4856      1.00000
     60      -9.4658      1.00000
     61      -9.3440      1.00000
     62      -9.3284      1.00000
     63      -9.3080      1.00000
     64      -9.3060      1.00000
     65      -9.2117      1.00000
     66      -9.1098      1.00000
     67      -9.0788      1.00000
     68      -9.0476      1.00000
     69      -8.8433      1.00000
     70      -8.7909      1.00000
     71      -8.7719      1.00000
     72      -8.5247      1.00000
     73      -8.4717      1.00000
     74      -8.2161      1.00000
     75      -8.1075      1.00000
     76      -8.0976      1.00000
     77      -7.8044      1.00000
     78      -7.7809      1.00000
     79      -7.7799      1.00000
     80      -7.6708      1.00000
     81      -7.6301      1.00000
     82      -7.6284      1.00000
     83      -7.4029      1.00000
     84      -7.3226      1.00000
     85      -7.2063      1.00000
     86      -6.8379      1.00000
     87      -6.8278      1.00000
     88      -6.6577      1.00000
     89      -6.5371      1.00000
     90      -6.3427      1.00000
     91      -6.3055      1.00000
     92      -6.1828      1.00000
     93      -6.1457      1.00000
     94      -5.9761      1.00000
     95      -5.5705      1.00000
     96      -5.4242      1.00000
     97      -5.2573      1.00000
     98      -5.2444      1.00000
     99      -5.1474      1.00000
    100      -4.6942      1.00000
    101      -4.6643      1.00000
    102      -4.3490      1.00000
    103      -4.3116      1.00000
    104      -3.9626      1.00000
    105      -3.8219      1.00000
    106      -3.3899      1.00000
    107      -2.2193      0.00000
    108      -1.3759      0.00000
    109      -1.2866      0.00000
    110      -1.1732      0.00000
    111      -1.0780      0.00000
    112      -0.8935      0.00000
    113      -0.7684      0.00000
    114      -0.7572      0.00000
    115      -0.2221      0.00000
    116       0.1134      0.00000
    117       0.2635      0.00000
    118       0.3455      0.00000
    119       0.7464      0.00000
    120       0.9059      0.00000
    121       0.9737      0.00000
    122       1.1016      0.00000
    123       1.2181      0.00000
    124       1.5394      0.00000
    125       1.5913      0.00000
    126       1.7230      0.00000
    127       1.8392      0.00000
    128       1.8626      0.00000
    129       1.9474      0.00000
    130       2.0330      0.00000
    131       2.1494      0.00000
    132       2.2979      0.00000
    133       2.4082      0.00000
    134       2.4682      0.00000
    135       2.4822      0.00000
    136       2.6667      0.00000
    137       2.6881      0.00000
    138       2.7508      0.00000
    139       2.7578      0.00000
    140       2.9089      0.00000
    141       3.0404      0.00000
    142       3.0987      0.00000
    143       3.1686      0.00000
    144       3.2122      0.00000
    145       3.2607      0.00000
    146       3.2840      0.00000
    147       3.3736      0.00000
    148       3.4945      0.00000
    149       3.5556      0.00000
    150       3.7145      0.00000
    151       3.7646      0.00000
    152       3.7709      0.00000
    153       3.8315      0.00000
    154       3.8993      0.00000
    155       3.9659      0.00000
    156       3.9771      0.00000
    157       4.0041      0.00000
    158       4.0405      0.00000
    159       4.0429      0.00000
    160       4.0886      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1379      1.00000
      2     -22.0435      1.00000
      3     -21.8832      1.00000
      4     -21.3312      1.00000
      5     -20.9782      1.00000
      6     -20.9400      1.00000
      7     -20.4299      1.00000
      8     -20.3875      1.00000
      9     -20.2232      1.00000
     10     -20.2020      1.00000
     11     -19.8857      1.00000
     12     -19.8186      1.00000
     13     -18.8117      1.00000
     14     -18.7411      1.00000
     15     -18.2866      1.00000
     16     -18.2337      1.00000
     17     -18.0828      1.00000
     18     -18.0632      1.00000
     19     -17.7584      1.00000
     20     -17.7166      1.00000
     21     -17.1861      1.00000
     22     -17.1680      1.00000
     23     -17.0971      1.00000
     24     -17.0614      1.00000
     25     -16.0349      1.00000
     26     -15.8199      1.00000
     27     -15.7970      1.00000
     28     -15.7623      1.00000
     29     -15.1713      1.00000
     30     -14.4885      1.00000
     31     -14.4561      1.00000
     32     -14.2155      1.00000
     33     -13.8926      1.00000
     34     -13.8879      1.00000
     35     -13.7537      1.00000
     36     -13.7341      1.00000
     37     -13.5490      1.00000
     38     -13.5010      1.00000
     39     -13.2967      1.00000
     40     -12.5614      1.00000
     41     -12.1225      1.00000
     42     -12.0642      1.00000
     43     -12.0068      1.00000
     44     -11.9490      1.00000
     45     -11.6084      1.00000
     46     -11.5861      1.00000
     47     -11.0827      1.00000
     48     -11.0502      1.00000
     49     -10.7493      1.00000
     50     -10.6620      1.00000
     51     -10.5206      1.00000
     52     -10.1459      1.00000
     53     -10.1361      1.00000
     54     -10.0937      1.00000
     55      -9.9508      1.00000
     56      -9.9450      1.00000
     57      -9.9149      1.00000
     58      -9.7355      1.00000
     59      -9.7286      1.00000
     60      -9.6990      1.00000
     61      -9.6892      1.00000
     62      -9.4248      1.00000
     63      -9.3608      1.00000
     64      -9.0816      1.00000
     65      -9.0043      1.00000
     66      -8.9727      1.00000
     67      -8.8862      1.00000
     68      -8.8091      1.00000
     69      -8.6552      1.00000
     70      -8.6328      1.00000
     71      -8.5736      1.00000
     72      -8.4764      1.00000
     73      -8.4654      1.00000
     74      -8.3958      1.00000
     75      -8.3923      1.00000
     76      -8.1817      1.00000
     77      -8.1099      1.00000
     78      -7.9754      1.00000
     79      -7.9109      1.00000
     80      -7.8451      1.00000
     81      -7.6140      1.00000
     82      -7.5286      1.00000
     83      -7.4678      1.00000
     84      -7.2667      1.00000
     85      -6.9330      1.00000
     86      -6.8564      1.00000
     87      -6.8100      1.00000
     88      -6.5707      1.00000
     89      -6.4649      1.00000
     90      -6.4194      1.00000
     91      -6.3553      1.00000
     92      -6.0490      1.00000
     93      -5.8753      1.00000
     94      -5.7512      1.00000
     95      -5.7202      1.00000
     96      -5.4743      1.00000
     97      -5.3440      1.00000
     98      -5.1788      1.00000
     99      -5.1546      1.00000
    100      -5.1534      1.00000
    101      -4.7054      1.00000
    102      -4.4404      1.00000
    103      -4.2521      1.00000
    104      -3.9938      1.00000
    105      -3.8208      1.00000
    106      -3.1561      1.00000
    107      -2.4626      0.00000
    108      -1.3787      0.00000
    109      -1.2405      0.00000
    110      -1.1460      0.00000
    111      -1.1144      0.00000
    112      -0.5649      0.00000
    113      -0.4349      0.00000
    114      -0.4304      0.00000
    115      -0.3101      0.00000
    116      -0.1910      0.00000
    117       0.0618      0.00000
    118       0.1156      0.00000
    119       0.5404      0.00000
    120       0.6839      0.00000
    121       0.8823      0.00000
    122       0.9807      0.00000
    123       1.1222      0.00000
    124       1.5061      0.00000
    125       1.6789      0.00000
    126       1.8408      0.00000
    127       1.8963      0.00000
    128       2.0883      0.00000
    129       2.1204      0.00000
    130       2.1682      0.00000
    131       2.2207      0.00000
    132       2.3296      0.00000
    133       2.3408      0.00000
    134       2.4832      0.00000
    135       2.5649      0.00000
    136       2.6890      0.00000
    137       2.8909      0.00000
    138       2.9380      0.00000
    139       2.9800      0.00000
    140       3.0083      0.00000
    141       3.0570      0.00000
    142       3.1401      0.00000
    143       3.1683      0.00000
    144       3.2589      0.00000
    145       3.3054      0.00000
    146       3.3438      0.00000
    147       3.3544      0.00000
    148       3.3899      0.00000
    149       3.4250      0.00000
    150       3.5132      0.00000
    151       3.5640      0.00000
    152       3.6269      0.00000
    153       3.6549      0.00000
    154       3.7021      0.00000
    155       3.7279      0.00000
    156       3.9343      0.00000
    157       3.9491      0.00000
    158       4.0771      0.00000
    159       4.1189      0.00000
    160       4.2285      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2440      1.00000
      2     -21.8913      1.00000
      3     -21.8182      1.00000
      4     -21.3127      1.00000
      5     -21.2741      1.00000
      6     -20.7680      1.00000
      7     -20.6995      1.00000
      8     -20.5512      1.00000
      9     -20.0194      1.00000
     10     -19.9873      1.00000
     11     -19.6471      1.00000
     12     -19.6162      1.00000
     13     -18.9401      1.00000
     14     -18.9057      1.00000
     15     -18.5807      1.00000
     16     -18.5438      1.00000
     17     -18.3893      1.00000
     18     -17.5989      1.00000
     19     -17.5682      1.00000
     20     -17.5387      1.00000
     21     -17.5061      1.00000
     22     -17.0714      1.00000
     23     -17.0251      1.00000
     24     -16.8975      1.00000
     25     -15.9429      1.00000
     26     -15.8482      1.00000
     27     -15.5302      1.00000
     28     -15.5038      1.00000
     29     -15.2071      1.00000
     30     -14.8108      1.00000
     31     -14.7589      1.00000
     32     -14.5071      1.00000
     33     -14.4658      1.00000
     34     -14.0935      1.00000
     35     -14.0906      1.00000
     36     -13.1022      1.00000
     37     -13.0265      1.00000
     38     -12.9546      1.00000
     39     -12.9475      1.00000
     40     -12.6533      1.00000
     41     -12.6253      1.00000
     42     -12.2710      1.00000
     43     -12.2441      1.00000
     44     -11.5705      1.00000
     45     -11.5515      1.00000
     46     -11.4980      1.00000
     47     -10.8752      1.00000
     48     -10.8655      1.00000
     49     -10.6763      1.00000
     50     -10.5235      1.00000
     51     -10.5176      1.00000
     52     -10.4309      1.00000
     53     -10.4136      1.00000
     54     -10.3682      1.00000
     55     -10.2858      1.00000
     56     -10.0571      1.00000
     57      -9.8296      1.00000
     58      -9.5558      1.00000
     59      -9.4828      1.00000
     60      -9.4405      1.00000
     61      -9.3528      1.00000
     62      -9.3372      1.00000
     63      -9.3060      1.00000
     64      -9.3003      1.00000
     65      -9.2035      1.00000
     66      -9.0975      1.00000
     67      -9.0667      1.00000
     68      -9.0471      1.00000
     69      -8.8458      1.00000
     70      -8.7942      1.00000
     71      -8.7755      1.00000
     72      -8.5245      1.00000
     73      -8.4927      1.00000
     74      -8.2210      1.00000
     75      -8.1273      1.00000
     76      -8.0909      1.00000
     77      -7.8045      1.00000
     78      -7.7659      1.00000
     79      -7.7380      1.00000
     80      -7.6993      1.00000
     81      -7.6339      1.00000
     82      -7.6233      1.00000
     83      -7.3883      1.00000
     84      -7.3436      1.00000
     85      -7.2248      1.00000
     86      -6.8420      1.00000
     87      -6.8192      1.00000
     88      -6.6363      1.00000
     89      -6.5277      1.00000
     90      -6.3402      1.00000
     91      -6.2708      1.00000
     92      -6.1935      1.00000
     93      -6.1305      1.00000
     94      -6.0186      1.00000
     95      -5.6328      1.00000
     96      -5.5068      1.00000
     97      -5.2963      1.00000
     98      -5.1549      1.00000
     99      -5.0382      1.00000
    100      -4.7238      1.00000
    101      -4.6844      1.00000
    102      -4.3673      1.00000
    103      -4.1824      1.00000
    104      -4.0067      1.00000
    105      -3.8203      1.00000
    106      -3.4834      1.00000
    107      -2.1645      0.00000
    108      -1.3831      0.00000
    109      -1.2352      0.00000
    110      -1.1854      0.00000
    111      -1.0139      0.00000
    112      -0.9553      0.00000
    113      -0.7972      0.00000
    114      -0.7522      0.00000
    115      -0.3684      0.00000
    116       0.2454      0.00000
    117       0.2764      0.00000
    118       0.3635      0.00000
    119       0.7122      0.00000
    120       0.8699      0.00000
    121       0.9658      0.00000
    122       1.1349      0.00000
    123       1.2484      0.00000
    124       1.4624      0.00000
    125       1.5870      0.00000
    126       1.7853      0.00000
    127       1.8468      0.00000
    128       1.8727      0.00000
    129       2.0040      0.00000
    130       2.0438      0.00000
    131       2.1832      0.00000
    132       2.2374      0.00000
    133       2.4024      0.00000
    134       2.4254      0.00000
    135       2.5080      0.00000
    136       2.6602      0.00000
    137       2.6848      0.00000
    138       2.7449      0.00000
    139       2.7850      0.00000
    140       2.8776      0.00000
    141       2.9904      0.00000
    142       3.0964      0.00000
    143       3.1574      0.00000
    144       3.2088      0.00000
    145       3.2672      0.00000
    146       3.3026      0.00000
    147       3.3445      0.00000
    148       3.4954      0.00000
    149       3.5384      0.00000
    150       3.7195      0.00000
    151       3.7399      0.00000
    152       3.7715      0.00000
    153       3.8669      0.00000
    154       3.8815      0.00000
    155       3.9080      0.00000
    156       3.9698      0.00000
    157       4.0111      0.00000
    158       4.0456      0.00000
    159       4.0487      0.00000
    160       4.0945      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3160      1.00000
      2     -21.7579      1.00000
      3     -21.5642      1.00000
      4     -21.5374      1.00000
      5     -21.2013      1.00000
      6     -21.1630      1.00000
      7     -20.9826      1.00000
      8     -20.0952      1.00000
      9     -20.0569      1.00000
     10     -19.5430      1.00000
     11     -19.5229      1.00000
     12     -19.3420      1.00000
     13     -19.0249      1.00000
     14     -18.9853      1.00000
     15     -18.9745      1.00000
     16     -18.9690      1.00000
     17     -18.2930      1.00000
     18     -18.2796      1.00000
     19     -17.9439      1.00000
     20     -16.9977      1.00000
     21     -16.9576      1.00000
     22     -16.8801      1.00000
     23     -16.8674      1.00000
     24     -16.4132      1.00000
     25     -16.3908      1.00000
     26     -15.5379      1.00000
     27     -15.5347      1.00000
     28     -15.1706      1.00000
     29     -15.1691      1.00000
     30     -15.1282      1.00000
     31     -15.0338      1.00000
     32     -14.9984      1.00000
     33     -14.6306      1.00000
     34     -14.6239      1.00000
     35     -13.6602      1.00000
     36     -13.6506      1.00000
     37     -13.1689      1.00000
     38     -12.5705      1.00000
     39     -12.5112      1.00000
     40     -12.3829      1.00000
     41     -12.3824      1.00000
     42     -12.0335      1.00000
     43     -12.0296      1.00000
     44     -11.6518      1.00000
     45     -11.6119      1.00000
     46     -11.2035      1.00000
     47     -11.1548      1.00000
     48     -10.9526      1.00000
     49     -10.9400      1.00000
     50     -10.8577      1.00000
     51     -10.8257      1.00000
     52     -10.6194      1.00000
     53     -10.1431      1.00000
     54     -10.0819      1.00000
     55     -10.0231      1.00000
     56      -9.9425      1.00000
     57      -9.6287      1.00000
     58      -9.6273      1.00000
     59      -9.6008      1.00000
     60      -9.5382      1.00000
     61      -9.5017      1.00000
     62      -9.4769      1.00000
     63      -9.2691      1.00000
     64      -9.2335      1.00000
     65      -9.2049      1.00000
     66      -9.1769      1.00000
     67      -9.0601      1.00000
     68      -9.0450      1.00000
     69      -9.0417      1.00000
     70      -8.8746      1.00000
     71      -8.8061      1.00000
     72      -8.5310      1.00000
     73      -8.5309      1.00000
     74      -8.4932      1.00000
     75      -8.0297      1.00000
     76      -7.8303      1.00000
     77      -7.7956      1.00000
     78      -7.7722      1.00000
     79      -7.7018      1.00000
     80      -7.6827      1.00000
     81      -7.4189      1.00000
     82      -7.2859      1.00000
     83      -7.2498      1.00000
     84      -7.2009      1.00000
     85      -7.0790      1.00000
     86      -7.0778      1.00000
     87      -6.9368      1.00000
     88      -6.7084      1.00000
     89      -6.6720      1.00000
     90      -6.6277      1.00000
     91      -6.5562      1.00000
     92      -6.0700      1.00000
     93      -6.0297      1.00000
     94      -5.9994      1.00000
     95      -5.9363      1.00000
     96      -5.7976      1.00000
     97      -5.1769      1.00000
     98      -4.8920      1.00000
     99      -4.7916      1.00000
    100      -4.6103      1.00000
    101      -4.5117      1.00000
    102      -4.1382      1.00000
    103      -4.0897      1.00000
    104      -3.9298      1.00000
    105      -3.9151      1.00000
    106      -3.8196      1.00000
    107      -1.7519      0.00000
    108      -1.6963      0.00000
    109      -1.4100      0.00000
    110      -1.3705      0.00000
    111      -1.2645      0.00000
    112      -1.2352      0.00000
    113      -0.6259      0.00000
    114      -0.5983      0.00000
    115      -0.1897      0.00000
    116       0.0403      0.00000
    117       0.5946      0.00000
    118       0.7437      0.00000
    119       0.8487      0.00000
    120       0.9304      0.00000
    121       1.1672      0.00000
    122       1.2167      0.00000
    123       1.2506      0.00000
    124       1.4410      0.00000
    125       1.6041      0.00000
    126       1.6546      0.00000
    127       1.7197      0.00000
    128       1.7834      0.00000
    129       1.9182      0.00000
    130       1.9392      0.00000
    131       2.1523      0.00000
    132       2.1900      0.00000
    133       2.2683      0.00000
    134       2.3267      0.00000
    135       2.5621      0.00000
    136       2.5936      0.00000
    137       2.5989      0.00000
    138       2.7703      0.00000
    139       2.7988      0.00000
    140       2.8028      0.00000
    141       2.8939      0.00000
    142       2.9179      0.00000
    143       3.0334      0.00000
    144       3.0560      0.00000
    145       3.1230      0.00000
    146       3.3112      0.00000
    147       3.3244      0.00000
    148       3.3891      0.00000
    149       3.4892      0.00000
    150       3.5871      0.00000
    151       3.6553      0.00000
    152       3.6659      0.00000
    153       3.6858      0.00000
    154       3.9099      0.00000
    155       3.9840      0.00000
    156       4.0226      0.00000
    157       4.0939      0.00000
    158       4.2554      0.00000
    159       4.2652      0.00000
    160       4.2749      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1371      1.00000
      2     -22.0448      1.00000
      3     -21.8827      1.00000
      4     -21.3321      1.00000
      5     -20.9733      1.00000
      6     -20.9440      1.00000
      7     -20.4247      1.00000
      8     -20.3928      1.00000
      9     -20.2132      1.00000
     10     -20.2110      1.00000
     11     -19.8846      1.00000
     12     -19.8209      1.00000
     13     -18.8145      1.00000
     14     -18.7439      1.00000
     15     -18.2632      1.00000
     16     -18.2488      1.00000
     17     -18.0778      1.00000
     18     -18.0707      1.00000
     19     -17.7434      1.00000
     20     -17.7275      1.00000
     21     -17.1924      1.00000
     22     -17.1689      1.00000
     23     -17.0871      1.00000
     24     -17.0653      1.00000
     25     -16.0507      1.00000
     26     -15.8056      1.00000
     27     -15.7960      1.00000
     28     -15.7750      1.00000
     29     -15.1576      1.00000
     30     -14.4828      1.00000
     31     -14.4617      1.00000
     32     -14.2026      1.00000
     33     -13.9140      1.00000
     34     -13.8846      1.00000
     35     -13.7569      1.00000
     36     -13.7368      1.00000
     37     -13.5342      1.00000
     38     -13.5080      1.00000
     39     -13.2981      1.00000
     40     -12.5734      1.00000
     41     -12.0993      1.00000
     42     -12.0748      1.00000
     43     -11.9957      1.00000
     44     -11.9481      1.00000
     45     -11.6037      1.00000
     46     -11.5962      1.00000
     47     -11.0821      1.00000
     48     -11.0587      1.00000
     49     -10.7289      1.00000
     50     -10.6619      1.00000
     51     -10.5525      1.00000
     52     -10.1377      1.00000
     53     -10.1332      1.00000
     54     -10.0982      1.00000
     55      -9.9639      1.00000
     56      -9.9234      1.00000
     57      -9.9192      1.00000
     58      -9.7489      1.00000
     59      -9.7272      1.00000
     60      -9.6956      1.00000
     61      -9.6926      1.00000
     62      -9.3967      1.00000
     63      -9.3864      1.00000
     64      -9.0647      1.00000
     65      -8.9798      1.00000
     66      -8.9796      1.00000
     67      -8.9042      1.00000
     68      -8.8100      1.00000
     69      -8.6477      1.00000
     70      -8.6320      1.00000
     71      -8.5425      1.00000
     72      -8.4994      1.00000
     73      -8.4807      1.00000
     74      -8.3923      1.00000
     75      -8.3811      1.00000
     76      -8.2070      1.00000
     77      -8.0982      1.00000
     78      -8.0047      1.00000
     79      -7.8987      1.00000
     80      -7.8406      1.00000
     81      -7.6197      1.00000
     82      -7.5309      1.00000
     83      -7.4557      1.00000
     84      -7.2624      1.00000
     85      -6.9411      1.00000
     86      -6.8677      1.00000
     87      -6.8089      1.00000
     88      -6.4766      1.00000
     89      -6.4672      1.00000
     90      -6.4080      1.00000
     91      -6.3579      1.00000
     92      -6.1840      1.00000
     93      -5.8566      1.00000
     94      -5.7365      1.00000
     95      -5.7097      1.00000
     96      -5.5205      1.00000
     97      -5.3279      1.00000
     98      -5.1714      1.00000
     99      -5.1663      1.00000
    100      -5.1326      1.00000
    101      -4.6950      1.00000
    102      -4.3482      1.00000
    103      -4.2760      1.00000
    104      -4.0265      1.00000
    105      -3.8217      1.00000
    106      -3.2321      1.00000
    107      -2.4056      0.00000
    108      -1.3452      0.00000
    109      -1.2431      0.00000
    110      -1.1538      0.00000
    111      -1.1082      0.00000
    112      -0.5840      0.00000
    113      -0.5211      0.00000
    114      -0.4340      0.00000
    115      -0.2745      0.00000
    116      -0.0724      0.00000
    117      -0.0116      0.00000
    118       0.0597      0.00000
    119       0.5839      0.00000
    120       0.7101      0.00000
    121       0.8204      0.00000
    122       0.9553      0.00000
    123       1.1956      0.00000
    124       1.5326      0.00000
    125       1.6311      0.00000
    126       1.8875      0.00000
    127       2.0253      0.00000
    128       2.0615      0.00000
    129       2.0941      0.00000
    130       2.1401      0.00000
    131       2.2304      0.00000
    132       2.2867      0.00000
    133       2.3385      0.00000
    134       2.4287      0.00000
    135       2.6118      0.00000
    136       2.7162      0.00000
    137       2.8493      0.00000
    138       2.9145      0.00000
    139       2.9450      0.00000
    140       3.0271      0.00000
    141       3.0619      0.00000
    142       3.1287      0.00000
    143       3.1768      0.00000
    144       3.2331      0.00000
    145       3.3097      0.00000
    146       3.3226      0.00000
    147       3.3631      0.00000
    148       3.3816      0.00000
    149       3.4377      0.00000
    150       3.4589      0.00000
    151       3.5675      0.00000
    152       3.6139      0.00000
    153       3.6580      0.00000
    154       3.7016      0.00000
    155       3.8724      0.00000
    156       3.9169      0.00000
    157       3.9474      0.00000
    158       3.9701      0.00000
    159       4.1824      0.00000
    160       4.2083      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2100      1.00000
      2     -22.0049      1.00000
      3     -21.6428      1.00000
      4     -21.6120      1.00000
      5     -20.9064      1.00000
      6     -20.8662      1.00000
      7     -20.5359      1.00000
      8     -20.5037      1.00000
      9     -20.4970      1.00000
     10     -19.9596      1.00000
     11     -19.4379      1.00000
     12     -19.4159      1.00000
     13     -19.2370      1.00000
     14     -19.2299      1.00000
     15     -18.3733      1.00000
     16     -18.3387      1.00000
     17     -17.8562      1.00000
     18     -17.8402      1.00000
     19     -17.6887      1.00000
     20     -17.6533      1.00000
     21     -17.3698      1.00000
     22     -17.3556      1.00000
     23     -17.2655      1.00000
     24     -16.4107      1.00000
     25     -16.3875      1.00000
     26     -15.9018      1.00000
     27     -15.3408      1.00000
     28     -15.3360      1.00000
     29     -15.0284      1.00000
     30     -15.0189      1.00000
     31     -14.7747      1.00000
     32     -14.7726      1.00000
     33     -14.2353      1.00000
     34     -14.1849      1.00000
     35     -13.3855      1.00000
     36     -13.3314      1.00000
     37     -13.1088      1.00000
     38     -13.1010      1.00000
     39     -12.9148      1.00000
     40     -12.9092      1.00000
     41     -12.5434      1.00000
     42     -12.5359      1.00000
     43     -12.1317      1.00000
     44     -11.5108      1.00000
     45     -11.4667      1.00000
     46     -11.2419      1.00000
     47     -11.2106      1.00000
     48     -11.0844      1.00000
     49     -10.7003      1.00000
     50     -10.5933      1.00000
     51     -10.5058      1.00000
     52     -10.2496      1.00000
     53     -10.2455      1.00000
     54     -10.1188      1.00000
     55     -10.0519      1.00000
     56     -10.0373      1.00000
     57      -9.7814      1.00000
     58      -9.6851      1.00000
     59      -9.6715      1.00000
     60      -9.6358      1.00000
     61      -9.6262      1.00000
     62      -9.5837      1.00000
     63      -9.2935      1.00000
     64      -9.2818      1.00000
     65      -9.2504      1.00000
     66      -9.0589      1.00000
     67      -8.8932      1.00000
     68      -8.8822      1.00000
     69      -8.7166      1.00000
     70      -8.5763      1.00000
     71      -8.5237      1.00000
     72      -8.3482      1.00000
     73      -8.3030      1.00000
     74      -8.2418      1.00000
     75      -8.2366      1.00000
     76      -8.1928      1.00000
     77      -8.1806      1.00000
     78      -8.1675      1.00000
     79      -8.1007      1.00000
     80      -7.6871      1.00000
     81      -7.4240      1.00000
     82      -7.3415      1.00000
     83      -7.2581      1.00000
     84      -7.1676      1.00000
     85      -7.1084      1.00000
     86      -7.0047      1.00000
     87      -6.9019      1.00000
     88      -6.8476      1.00000
     89      -6.5405      1.00000
     90      -6.4974      1.00000
     91      -6.2065      1.00000
     92      -6.2002      1.00000
     93      -5.8935      1.00000
     94      -5.6716      1.00000
     95      -5.6046      1.00000
     96      -5.5788      1.00000
     97      -5.2523      1.00000
     98      -5.2302      1.00000
     99      -5.1636      1.00000
    100      -5.1334      1.00000
    101      -4.5991      1.00000
    102      -4.2463      1.00000
    103      -4.0429      1.00000
    104      -3.8835      1.00000
    105      -3.8359      1.00000
    106      -3.7979      1.00000
    107      -1.8081      0.00000
    108      -1.7812      0.00000
    109      -1.2253      0.00000
    110      -1.1747      0.00000
    111      -0.9738      0.00000
    112      -0.7346      0.00000
    113      -0.6497      0.00000
    114      -0.5939      0.00000
    115      -0.5493      0.00000
    116      -0.1561      0.00000
    117       0.1761      0.00000
    118       0.2879      0.00000
    119       0.7173      0.00000
    120       0.9601      0.00000
    121       1.1716      0.00000
    122       1.2772      0.00000
    123       1.3574      0.00000
    124       1.5267      0.00000
    125       1.6183      0.00000
    126       1.6387      0.00000
    127       1.6962      0.00000
    128       1.7815      0.00000
    129       1.8785      0.00000
    130       2.0432      0.00000
    131       2.1696      0.00000
    132       2.2863      0.00000
    133       2.4216      0.00000
    134       2.4244      0.00000
    135       2.5780      0.00000
    136       2.6418      0.00000
    137       2.6958      0.00000
    138       2.7007      0.00000
    139       2.7776      0.00000
    140       2.9167      0.00000
    141       3.0637      0.00000
    142       3.0755      0.00000
    143       3.2055      0.00000
    144       3.2930      0.00000
    145       3.4077      0.00000
    146       3.4246      0.00000
    147       3.4674      0.00000
    148       3.5536      0.00000
    149       3.5941      0.00000
    150       3.6426      0.00000
    151       3.6767      0.00000
    152       3.7014      0.00000
    153       3.7576      0.00000
    154       3.7626      0.00000
    155       3.8443      0.00000
    156       3.9163      0.00000
    157       3.9174      0.00000
    158       3.9822      0.00000
    159       4.2031      0.00000
    160       4.2407      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3527      1.00000
      2     -21.5324      1.00000
      3     -21.4034      1.00000
      4     -21.4028      1.00000
      5     -21.3716      1.00000
      6     -21.3626      1.00000
      7     -21.3550      1.00000
      8     -19.6425      1.00000
      9     -19.5687      1.00000
     10     -19.5619      1.00000
     11     -19.5554      1.00000
     12     -19.5377      1.00000
     13     -19.5346      1.00000
     14     -18.7247      1.00000
     15     -18.6770      1.00000
     16     -18.6689      1.00000
     17     -18.6558      1.00000
     18     -18.6404      1.00000
     19     -18.6387      1.00000
     20     -16.5826      1.00000
     21     -16.5244      1.00000
     22     -16.5219      1.00000
     23     -16.5088      1.00000
     24     -16.4851      1.00000
     25     -16.4829      1.00000
     26     -15.5553      1.00000
     27     -15.5238      1.00000
     28     -15.5230      1.00000
     29     -15.4969      1.00000
     30     -15.4915      1.00000
     31     -15.4860      1.00000
     32     -14.2035      1.00000
     33     -14.1774      1.00000
     34     -14.1652      1.00000
     35     -14.1623      1.00000
     36     -14.1575      1.00000
     37     -14.1465      1.00000
     38     -11.8804      1.00000
     39     -11.8063      1.00000
     40     -11.7902      1.00000
     41     -11.7899      1.00000
     42     -11.7864      1.00000
     43     -11.7810      1.00000
     44     -11.7019      1.00000
     45     -11.6956      1.00000
     46     -11.6705      1.00000
     47     -11.6551      1.00000
     48     -11.6550      1.00000
     49     -11.6483      1.00000
     50     -10.6676      1.00000
     51     -10.3263      1.00000
     52     -10.3184      1.00000
     53     -10.3033      1.00000
     54     -10.3014      1.00000
     55     -10.2889      1.00000
     56     -10.2757      1.00000
     57      -9.9212      1.00000
     58      -9.3698      1.00000
     59      -9.3569      1.00000
     60      -9.2979      1.00000
     61      -9.2897      1.00000
     62      -9.2828      1.00000
     63      -9.0897      1.00000
     64      -9.0517      1.00000
     65      -9.0472      1.00000
     66      -9.0244      1.00000
     67      -9.0051      1.00000
     68      -8.9996      1.00000
     69      -8.9993      1.00000
     70      -8.9925      1.00000
     71      -8.9904      1.00000
     72      -8.9709      1.00000
     73      -8.9625      1.00000
     74      -8.9535      1.00000
     75      -8.4858      1.00000
     76      -7.5172      1.00000
     77      -7.4085      1.00000
     78      -7.4085      1.00000
     79      -7.3956      1.00000
     80      -7.3818      1.00000
     81      -7.3630      1.00000
     82      -7.3390      1.00000
     83      -7.3098      1.00000
     84      -7.2651      1.00000
     85      -7.2046      1.00000
     86      -7.1786      1.00000
     87      -7.1781      1.00000
     88      -7.0797      1.00000
     89      -6.5054      1.00000
     90      -6.4589      1.00000
     91      -6.3529      1.00000
     92      -6.2925      1.00000
     93      -6.2864      1.00000
     94      -6.2850      1.00000
     95      -5.8959      1.00000
     96      -5.8837      1.00000
     97      -5.0398      1.00000
     98      -4.9354      1.00000
     99      -4.5360      1.00000
    100      -4.3398      1.00000
    101      -4.3175      1.00000
    102      -4.3161      1.00000
    103      -4.1152      1.00000
    104      -3.9113      1.00000
    105      -3.9004      1.00000
    106      -3.8254      1.00000
    107      -1.6816      0.00000
    108      -1.6671      0.00000
    109      -1.5365      0.00000
    110      -1.5343      0.00000
    111      -1.5236      0.00000
    112      -1.5087      0.00000
    113      -0.5884      0.00000
    114       0.1340      0.00000
    115       0.2071      0.00000
    116       0.3244      0.00000
    117       0.3266      0.00000
    118       0.3338      0.00000
    119       0.4934      0.00000
    120       0.6103      0.00000
    121       1.2616      0.00000
    122       1.2898      0.00000
    123       1.5443      0.00000
    124       1.7554      0.00000
    125       1.8174      0.00000
    126       1.8211      0.00000
    127       1.8267      0.00000
    128       1.9474      0.00000
    129       1.9937      0.00000
    130       2.0309      0.00000
    131       2.0449      0.00000
    132       2.0503      0.00000
    133       2.0572      0.00000
    134       2.0662      0.00000
    135       2.3185      0.00000
    136       2.3300      0.00000
    137       2.6497      0.00000
    138       2.6583      0.00000
    139       2.6904      0.00000
    140       2.7383      0.00000
    141       2.8875      0.00000
    142       2.9945      0.00000
    143       3.0124      0.00000
    144       3.0386      0.00000
    145       3.0409      0.00000
    146       3.0413      0.00000
    147       3.0860      0.00000
    148       3.2517      0.00000
    149       3.4414      0.00000
    150       3.5584      0.00000
    151       3.7832      0.00000
    152       3.9497      0.00000
    153       3.9640      0.00000
    154       3.9693      0.00000
    155       3.9715      0.00000
    156       4.0092      0.00000
    157       4.1870      0.00000
    158       4.2683      0.00000
    159       4.2941      0.00000
    160       4.2956      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3161      1.00000
      2     -21.7576      1.00000
      3     -21.5670      1.00000
      4     -21.5344      1.00000
      5     -21.2042      1.00000
      6     -21.1596      1.00000
      7     -20.9838      1.00000
      8     -20.0982      1.00000
      9     -20.0544      1.00000
     10     -19.5430      1.00000
     11     -19.5186      1.00000
     12     -19.3460      1.00000
     13     -19.0215      1.00000
     14     -18.9867      1.00000
     15     -18.9783      1.00000
     16     -18.9662      1.00000
     17     -18.2944      1.00000
     18     -18.2753      1.00000
     19     -17.9491      1.00000
     20     -17.0065      1.00000
     21     -16.9571      1.00000
     22     -16.8759      1.00000
     23     -16.8668      1.00000
     24     -16.4024      1.00000
     25     -16.3880      1.00000
     26     -15.5487      1.00000
     27     -15.5332      1.00000
     28     -15.1947      1.00000
     29     -15.1664      1.00000
     30     -15.1119      1.00000
     31     -15.0252      1.00000
     32     -15.0003      1.00000
     33     -14.6336      1.00000
     34     -14.6219      1.00000
     35     -13.6648      1.00000
     36     -13.6496      1.00000
     37     -13.1672      1.00000
     38     -12.5487      1.00000
     39     -12.5158      1.00000
     40     -12.3881      1.00000
     41     -12.3751      1.00000
     42     -12.0549      1.00000
     43     -12.0323      1.00000
     44     -11.6563      1.00000
     45     -11.6146      1.00000
     46     -11.1783      1.00000
     47     -11.1553      1.00000
     48     -10.9619      1.00000
     49     -10.9381      1.00000
     50     -10.8703      1.00000
     51     -10.8348      1.00000
     52     -10.5978      1.00000
     53     -10.0907      1.00000
     54     -10.0860      1.00000
     55     -10.0432      1.00000
     56      -9.9674      1.00000
     57      -9.6514      1.00000
     58      -9.6269      1.00000
     59      -9.5894      1.00000
     60      -9.5271      1.00000
     61      -9.5091      1.00000
     62      -9.4772      1.00000
     63      -9.2612      1.00000
     64      -9.2387      1.00000
     65      -9.2183      1.00000
     66      -9.1643      1.00000
     67      -9.0660      1.00000
     68      -9.0445      1.00000
     69      -9.0390      1.00000
     70      -8.8800      1.00000
     71      -8.8043      1.00000
     72      -8.5728      1.00000
     73      -8.5208      1.00000
     74      -8.4526      1.00000
     75      -8.0335      1.00000
     76      -7.8082      1.00000
     77      -7.8047      1.00000
     78      -7.7905      1.00000
     79      -7.6985      1.00000
     80      -7.6887      1.00000
     81      -7.3683      1.00000
     82      -7.2712      1.00000
     83      -7.2632      1.00000
     84      -7.2162      1.00000
     85      -7.1714      1.00000
     86      -7.0077      1.00000
     87      -6.9459      1.00000
     88      -6.7440      1.00000
     89      -6.6703      1.00000
     90      -6.5929      1.00000
     91      -6.5577      1.00000
     92      -6.0490      1.00000
     93      -6.0449      1.00000
     94      -6.0200      1.00000
     95      -5.9576      1.00000
     96      -5.7348      1.00000
     97      -5.1502      1.00000
     98      -4.9874      1.00000
     99      -4.7166      1.00000
    100      -4.6100      1.00000
    101      -4.4381      1.00000
    102      -4.3726      1.00000
    103      -4.1205      1.00000
    104      -3.8671      1.00000
    105      -3.8263      1.00000
    106      -3.7895      1.00000
    107      -1.7845      0.00000
    108      -1.7384      0.00000
    109      -1.3946      0.00000
    110      -1.3454      0.00000
    111      -1.2650      0.00000
    112      -1.2256      0.00000
    113      -0.7461      0.00000
    114      -0.3803      0.00000
    115      -0.2202      0.00000
    116      -0.0204      0.00000
    117       0.5984      0.00000
    118       0.7414      0.00000
    119       0.7657      0.00000
    120       1.0506      0.00000
    121       1.1417      0.00000
    122       1.2517      0.00000
    123       1.2808      0.00000
    124       1.4249      0.00000
    125       1.4927      0.00000
    126       1.6041      0.00000
    127       1.7457      0.00000
    128       1.8408      0.00000
    129       1.8940      0.00000
    130       1.9628      0.00000
    131       2.1002      0.00000
    132       2.2565      0.00000
    133       2.2648      0.00000
    134       2.3241      0.00000
    135       2.5022      0.00000
    136       2.5908      0.00000
    137       2.6525      0.00000
    138       2.7836      0.00000
    139       2.7948      0.00000
    140       2.8141      0.00000
    141       2.8708      0.00000
    142       2.8860      0.00000
    143       2.9415      0.00000
    144       3.1185      0.00000
    145       3.2952      0.00000
    146       3.3095      0.00000
    147       3.3449      0.00000
    148       3.3696      0.00000
    149       3.4777      0.00000
    150       3.5734      0.00000
    151       3.6247      0.00000
    152       3.6819      0.00000
    153       3.7170      0.00000
    154       3.9244      0.00000
    155       3.9396      0.00000
    156       3.9948      0.00000
    157       4.0851      0.00000
    158       4.2160      0.00000
    159       4.2620      0.00000
    160       4.3045      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2103      1.00000
      2     -22.0043      1.00000
      3     -21.6456      1.00000
      4     -21.6088      1.00000
      5     -20.9094      1.00000
      6     -20.8633      1.00000
      7     -20.5422      1.00000
      8     -20.5030      1.00000
      9     -20.4927      1.00000
     10     -19.9603      1.00000
     11     -19.4392      1.00000
     12     -19.4123      1.00000
     13     -19.2386      1.00000
     14     -19.2243      1.00000
     15     -18.3809      1.00000
     16     -18.3371      1.00000
     17     -17.8572      1.00000
     18     -17.8364      1.00000
     19     -17.6949      1.00000
     20     -17.6526      1.00000
     21     -17.3694      1.00000
     22     -17.3537      1.00000
     23     -17.2717      1.00000
     24     -16.3989      1.00000
     25     -16.3843      1.00000
     26     -15.8935      1.00000
     27     -15.3497      1.00000
     28     -15.3345      1.00000
     29     -15.0321      1.00000
     30     -15.0183      1.00000
     31     -14.7970      1.00000
     32     -14.7725      1.00000
     33     -14.2195      1.00000
     34     -14.1876      1.00000
     35     -13.3687      1.00000
     36     -13.3352      1.00000
     37     -13.1174      1.00000
     38     -13.1001      1.00000
     39     -12.9131      1.00000
     40     -12.8998      1.00000
     41     -12.5544      1.00000
     42     -12.5366      1.00000
     43     -12.1309      1.00000
     44     -11.5188      1.00000
     45     -11.4715      1.00000
     46     -11.2507      1.00000
     47     -11.2175      1.00000
     48     -11.0773      1.00000
     49     -10.6547      1.00000
     50     -10.5873      1.00000
     51     -10.5197      1.00000
     52     -10.2551      1.00000
     53     -10.2468      1.00000
     54     -10.1199      1.00000
     55     -10.0469      1.00000
     56     -10.0396      1.00000
     57      -9.7661      1.00000
     58      -9.7025      1.00000
     59      -9.6779      1.00000
     60      -9.6286      1.00000
     61      -9.6239      1.00000
     62      -9.5855      1.00000
     63      -9.2921      1.00000
     64      -9.2830      1.00000
     65      -9.2511      1.00000
     66      -9.0820      1.00000
     67      -8.8949      1.00000
     68      -8.8811      1.00000
     69      -8.7224      1.00000
     70      -8.5845      1.00000
     71      -8.5123      1.00000
     72      -8.3285      1.00000
     73      -8.3003      1.00000
     74      -8.2623      1.00000
     75      -8.2311      1.00000
     76      -8.1933      1.00000
     77      -8.1847      1.00000
     78      -8.1690      1.00000
     79      -8.0940      1.00000
     80      -7.6861      1.00000
     81      -7.3601      1.00000
     82      -7.3094      1.00000
     83      -7.2646      1.00000
     84      -7.1859      1.00000
     85      -7.1252      1.00000
     86      -7.0754      1.00000
     87      -6.9053      1.00000
     88      -6.8810      1.00000
     89      -6.5479      1.00000
     90      -6.4912      1.00000
     91      -6.2084      1.00000
     92      -6.0670      1.00000
     93      -5.9395      1.00000
     94      -5.7119      1.00000
     95      -5.6314      1.00000
     96      -5.4505      1.00000
     97      -5.3030      1.00000
     98      -5.2326      1.00000
     99      -5.1508      1.00000
    100      -5.1503      1.00000
    101      -4.5186      1.00000
    102      -4.4697      1.00000
    103      -4.1399      1.00000
    104      -3.8294      1.00000
    105      -3.7560      1.00000
    106      -3.6795      1.00000
    107      -1.8702      0.00000
    108      -1.8237      0.00000
    109      -1.2774      0.00000
    110      -1.0355      0.00000
    111      -1.0118      0.00000
    112      -0.7130      0.00000
    113      -0.6395      0.00000
    114      -0.5883      0.00000
    115      -0.5460      0.00000
    116      -0.2057      0.00000
    117       0.2519      0.00000
    118       0.2784      0.00000
    119       0.7719      0.00000
    120       0.9528      0.00000
    121       1.1371      0.00000
    122       1.2335      0.00000
    123       1.3250      0.00000
    124       1.4195      0.00000
    125       1.6143      0.00000
    126       1.6359      0.00000
    127       1.7270      0.00000
    128       1.8182      0.00000
    129       1.9386      0.00000
    130       2.0392      0.00000
    131       2.0687      0.00000
    132       2.2845      0.00000
    133       2.4009      0.00000
    134       2.4546      0.00000
    135       2.5585      0.00000
    136       2.6478      0.00000
    137       2.7093      0.00000
    138       2.7805      0.00000
    139       2.8495      0.00000
    140       2.8961      0.00000
    141       3.0545      0.00000
    142       3.1068      0.00000
    143       3.2102      0.00000
    144       3.2536      0.00000
    145       3.3984      0.00000
    146       3.4339      0.00000
    147       3.5059      0.00000
    148       3.5887      0.00000
    149       3.6148      0.00000
    150       3.6337      0.00000
    151       3.6561      0.00000
    152       3.7411      0.00000
    153       3.7545      0.00000
    154       3.7656      0.00000
    155       3.8080      0.00000
    156       3.9038      0.00000
    157       3.9944      0.00000
    158       4.0202      0.00000
    159       4.1933      0.00000
    160       4.2240      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2442      1.00000
      2     -21.8900      1.00000
      3     -21.8196      1.00000
      4     -21.3082      1.00000
      5     -21.2780      1.00000
      6     -20.7670      1.00000
      7     -20.7013      1.00000
      8     -20.5527      1.00000
      9     -20.0058      1.00000
     10     -19.9980      1.00000
     11     -19.6446      1.00000
     12     -19.6204      1.00000
     13     -18.9265      1.00000
     14     -18.9177      1.00000
     15     -18.5679      1.00000
     16     -18.5538      1.00000
     17     -18.3907      1.00000
     18     -17.6116      1.00000
     19     -17.5558      1.00000
     20     -17.5506      1.00000
     21     -17.5092      1.00000
     22     -17.0533      1.00000
     23     -17.0354      1.00000
     24     -16.8896      1.00000
     25     -15.9278      1.00000
     26     -15.8639      1.00000
     27     -15.5132      1.00000
     28     -15.5129      1.00000
     29     -15.2254      1.00000
     30     -14.7921      1.00000
     31     -14.7646      1.00000
     32     -14.5124      1.00000
     33     -14.4686      1.00000
     34     -14.0993      1.00000
     35     -14.0883      1.00000
     36     -13.0746      1.00000
     37     -13.0296      1.00000
     38     -12.9639      1.00000
     39     -12.9522      1.00000
     40     -12.6429      1.00000
     41     -12.6359      1.00000
     42     -12.2712      1.00000
     43     -12.2399      1.00000
     44     -11.5847      1.00000
     45     -11.5586      1.00000
     46     -11.5037      1.00000
     47     -10.9009      1.00000
     48     -10.8485      1.00000
     49     -10.6163      1.00000
     50     -10.5571      1.00000
     51     -10.4825      1.00000
     52     -10.4315      1.00000
     53     -10.4214      1.00000
     54     -10.3694      1.00000
     55     -10.2908      1.00000
     56     -10.0616      1.00000
     57      -9.8306      1.00000
     58      -9.5452      1.00000
     59      -9.4856      1.00000
     60      -9.4658      1.00000
     61      -9.3440      1.00000
     62      -9.3284      1.00000
     63      -9.3080      1.00000
     64      -9.3060      1.00000
     65      -9.2117      1.00000
     66      -9.1098      1.00000
     67      -9.0788      1.00000
     68      -9.0476      1.00000
     69      -8.8433      1.00000
     70      -8.7909      1.00000
     71      -8.7719      1.00000
     72      -8.5247      1.00000
     73      -8.4717      1.00000
     74      -8.2161      1.00000
     75      -8.1075      1.00000
     76      -8.0976      1.00000
     77      -7.8044      1.00000
     78      -7.7809      1.00000
     79      -7.7799      1.00000
     80      -7.6708      1.00000
     81      -7.6301      1.00000
     82      -7.6284      1.00000
     83      -7.4029      1.00000
     84      -7.3226      1.00000
     85      -7.2063      1.00000
     86      -6.8379      1.00000
     87      -6.8278      1.00000
     88      -6.6577      1.00000
     89      -6.5371      1.00000
     90      -6.3427      1.00000
     91      -6.3055      1.00000
     92      -6.1828      1.00000
     93      -6.1457      1.00000
     94      -5.9761      1.00000
     95      -5.5705      1.00000
     96      -5.4242      1.00000
     97      -5.2573      1.00000
     98      -5.2444      1.00000
     99      -5.1474      1.00000
    100      -4.6942      1.00000
    101      -4.6643      1.00000
    102      -4.3490      1.00000
    103      -4.3116      1.00000
    104      -3.9626      1.00000
    105      -3.8219      1.00000
    106      -3.3899      1.00000
    107      -2.2193      0.00000
    108      -1.3759      0.00000
    109      -1.2866      0.00000
    110      -1.1732      0.00000
    111      -1.0780      0.00000
    112      -0.8935      0.00000
    113      -0.7684      0.00000
    114      -0.7572      0.00000
    115      -0.2221      0.00000
    116       0.1134      0.00000
    117       0.2635      0.00000
    118       0.3455      0.00000
    119       0.7464      0.00000
    120       0.9059      0.00000
    121       0.9737      0.00000
    122       1.1016      0.00000
    123       1.2181      0.00000
    124       1.5394      0.00000
    125       1.5913      0.00000
    126       1.7230      0.00000
    127       1.8392      0.00000
    128       1.8626      0.00000
    129       1.9473      0.00000
    130       2.0330      0.00000
    131       2.1494      0.00000
    132       2.2979      0.00000
    133       2.4082      0.00000
    134       2.4682      0.00000
    135       2.4822      0.00000
    136       2.6667      0.00000
    137       2.6881      0.00000
    138       2.7508      0.00000
    139       2.7578      0.00000
    140       2.9088      0.00000
    141       3.0404      0.00000
    142       3.0987      0.00000
    143       3.1686      0.00000
    144       3.2122      0.00000
    145       3.2607      0.00000
    146       3.2840      0.00000
    147       3.3735      0.00000
    148       3.4945      0.00000
    149       3.5556      0.00000
    150       3.7145      0.00000
    151       3.7646      0.00000
    152       3.7709      0.00000
    153       3.8314      0.00000
    154       3.8993      0.00000
    155       3.9658      0.00000
    156       3.9771      0.00000
    157       4.0040      0.00000
    158       4.0404      0.00000
    159       4.0429      0.00000
    160       4.0886      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1379      1.00000
      2     -22.0435      1.00000
      3     -21.8832      1.00000
      4     -21.3312      1.00000
      5     -20.9782      1.00000
      6     -20.9400      1.00000
      7     -20.4299      1.00000
      8     -20.3875      1.00000
      9     -20.2232      1.00000
     10     -20.2020      1.00000
     11     -19.8857      1.00000
     12     -19.8186      1.00000
     13     -18.8117      1.00000
     14     -18.7411      1.00000
     15     -18.2866      1.00000
     16     -18.2337      1.00000
     17     -18.0828      1.00000
     18     -18.0632      1.00000
     19     -17.7584      1.00000
     20     -17.7166      1.00000
     21     -17.1861      1.00000
     22     -17.1680      1.00000
     23     -17.0971      1.00000
     24     -17.0614      1.00000
     25     -16.0349      1.00000
     26     -15.8199      1.00000
     27     -15.7970      1.00000
     28     -15.7623      1.00000
     29     -15.1713      1.00000
     30     -14.4885      1.00000
     31     -14.4561      1.00000
     32     -14.2155      1.00000
     33     -13.8926      1.00000
     34     -13.8879      1.00000
     35     -13.7537      1.00000
     36     -13.7341      1.00000
     37     -13.5490      1.00000
     38     -13.5010      1.00000
     39     -13.2967      1.00000
     40     -12.5614      1.00000
     41     -12.1225      1.00000
     42     -12.0642      1.00000
     43     -12.0068      1.00000
     44     -11.9490      1.00000
     45     -11.6084      1.00000
     46     -11.5861      1.00000
     47     -11.0827      1.00000
     48     -11.0502      1.00000
     49     -10.7493      1.00000
     50     -10.6620      1.00000
     51     -10.5206      1.00000
     52     -10.1459      1.00000
     53     -10.1361      1.00000
     54     -10.0937      1.00000
     55      -9.9508      1.00000
     56      -9.9450      1.00000
     57      -9.9149      1.00000
     58      -9.7355      1.00000
     59      -9.7286      1.00000
     60      -9.6990      1.00000
     61      -9.6892      1.00000
     62      -9.4248      1.00000
     63      -9.3608      1.00000
     64      -9.0816      1.00000
     65      -9.0043      1.00000
     66      -8.9727      1.00000
     67      -8.8862      1.00000
     68      -8.8091      1.00000
     69      -8.6552      1.00000
     70      -8.6328      1.00000
     71      -8.5736      1.00000
     72      -8.4764      1.00000
     73      -8.4654      1.00000
     74      -8.3958      1.00000
     75      -8.3923      1.00000
     76      -8.1817      1.00000
     77      -8.1099      1.00000
     78      -7.9754      1.00000
     79      -7.9109      1.00000
     80      -7.8451      1.00000
     81      -7.6140      1.00000
     82      -7.5286      1.00000
     83      -7.4678      1.00000
     84      -7.2667      1.00000
     85      -6.9330      1.00000
     86      -6.8564      1.00000
     87      -6.8100      1.00000
     88      -6.5707      1.00000
     89      -6.4649      1.00000
     90      -6.4194      1.00000
     91      -6.3553      1.00000
     92      -6.0490      1.00000
     93      -5.8753      1.00000
     94      -5.7512      1.00000
     95      -5.7202      1.00000
     96      -5.4743      1.00000
     97      -5.3440      1.00000
     98      -5.1788      1.00000
     99      -5.1546      1.00000
    100      -5.1534      1.00000
    101      -4.7054      1.00000
    102      -4.4404      1.00000
    103      -4.2521      1.00000
    104      -3.9938      1.00000
    105      -3.8208      1.00000
    106      -3.1561      1.00000
    107      -2.4626      0.00000
    108      -1.3787      0.00000
    109      -1.2405      0.00000
    110      -1.1460      0.00000
    111      -1.1144      0.00000
    112      -0.5649      0.00000
    113      -0.4349      0.00000
    114      -0.4304      0.00000
    115      -0.3101      0.00000
    116      -0.1910      0.00000
    117       0.0618      0.00000
    118       0.1156      0.00000
    119       0.5404      0.00000
    120       0.6839      0.00000
    121       0.8823      0.00000
    122       0.9807      0.00000
    123       1.1222      0.00000
    124       1.5061      0.00000
    125       1.6788      0.00000
    126       1.8408      0.00000
    127       1.8963      0.00000
    128       2.0882      0.00000
    129       2.1204      0.00000
    130       2.1681      0.00000
    131       2.2207      0.00000
    132       2.3296      0.00000
    133       2.3408      0.00000
    134       2.4832      0.00000
    135       2.5649      0.00000
    136       2.6890      0.00000
    137       2.8909      0.00000
    138       2.9380      0.00000
    139       2.9800      0.00000
    140       3.0083      0.00000
    141       3.0569      0.00000
    142       3.1401      0.00000
    143       3.1683      0.00000
    144       3.2588      0.00000
    145       3.3054      0.00000
    146       3.3438      0.00000
    147       3.3544      0.00000
    148       3.3899      0.00000
    149       3.4250      0.00000
    150       3.5132      0.00000
    151       3.5640      0.00000
    152       3.6269      0.00000
    153       3.6549      0.00000
    154       3.7021      0.00000
    155       3.7278      0.00000
    156       3.9343      0.00000
    157       3.9491      0.00000
    158       4.0771      0.00000
    159       4.1189      0.00000
    160       4.2284      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2440      1.00000
      2     -21.8913      1.00000
      3     -21.8182      1.00000
      4     -21.3127      1.00000
      5     -21.2741      1.00000
      6     -20.7680      1.00000
      7     -20.6995      1.00000
      8     -20.5512      1.00000
      9     -20.0194      1.00000
     10     -19.9873      1.00000
     11     -19.6471      1.00000
     12     -19.6162      1.00000
     13     -18.9401      1.00000
     14     -18.9057      1.00000
     15     -18.5807      1.00000
     16     -18.5438      1.00000
     17     -18.3893      1.00000
     18     -17.5989      1.00000
     19     -17.5682      1.00000
     20     -17.5387      1.00000
     21     -17.5061      1.00000
     22     -17.0714      1.00000
     23     -17.0251      1.00000
     24     -16.8975      1.00000
     25     -15.9429      1.00000
     26     -15.8482      1.00000
     27     -15.5302      1.00000
     28     -15.5038      1.00000
     29     -15.2071      1.00000
     30     -14.8108      1.00000
     31     -14.7589      1.00000
     32     -14.5071      1.00000
     33     -14.4658      1.00000
     34     -14.0935      1.00000
     35     -14.0906      1.00000
     36     -13.1022      1.00000
     37     -13.0265      1.00000
     38     -12.9546      1.00000
     39     -12.9475      1.00000
     40     -12.6533      1.00000
     41     -12.6253      1.00000
     42     -12.2710      1.00000
     43     -12.2441      1.00000
     44     -11.5705      1.00000
     45     -11.5515      1.00000
     46     -11.4980      1.00000
     47     -10.8752      1.00000
     48     -10.8655      1.00000
     49     -10.6763      1.00000
     50     -10.5235      1.00000
     51     -10.5176      1.00000
     52     -10.4309      1.00000
     53     -10.4136      1.00000
     54     -10.3682      1.00000
     55     -10.2858      1.00000
     56     -10.0571      1.00000
     57      -9.8296      1.00000
     58      -9.5558      1.00000
     59      -9.4828      1.00000
     60      -9.4405      1.00000
     61      -9.3528      1.00000
     62      -9.3372      1.00000
     63      -9.3060      1.00000
     64      -9.3003      1.00000
     65      -9.2035      1.00000
     66      -9.0975      1.00000
     67      -9.0667      1.00000
     68      -9.0471      1.00000
     69      -8.8458      1.00000
     70      -8.7942      1.00000
     71      -8.7755      1.00000
     72      -8.5245      1.00000
     73      -8.4927      1.00000
     74      -8.2210      1.00000
     75      -8.1273      1.00000
     76      -8.0909      1.00000
     77      -7.8045      1.00000
     78      -7.7659      1.00000
     79      -7.7380      1.00000
     80      -7.6993      1.00000
     81      -7.6339      1.00000
     82      -7.6233      1.00000
     83      -7.3883      1.00000
     84      -7.3436      1.00000
     85      -7.2248      1.00000
     86      -6.8420      1.00000
     87      -6.8192      1.00000
     88      -6.6363      1.00000
     89      -6.5277      1.00000
     90      -6.3402      1.00000
     91      -6.2708      1.00000
     92      -6.1935      1.00000
     93      -6.1305      1.00000
     94      -6.0186      1.00000
     95      -5.6328      1.00000
     96      -5.5068      1.00000
     97      -5.2963      1.00000
     98      -5.1549      1.00000
     99      -5.0382      1.00000
    100      -4.7238      1.00000
    101      -4.6844      1.00000
    102      -4.3673      1.00000
    103      -4.1824      1.00000
    104      -4.0067      1.00000
    105      -3.8203      1.00000
    106      -3.4834      1.00000
    107      -2.1645      0.00000
    108      -1.3831      0.00000
    109      -1.2352      0.00000
    110      -1.1854      0.00000
    111      -1.0139      0.00000
    112      -0.9553      0.00000
    113      -0.7972      0.00000
    114      -0.7522      0.00000
    115      -0.3684      0.00000
    116       0.2454      0.00000
    117       0.2764      0.00000
    118       0.3635      0.00000
    119       0.7122      0.00000
    120       0.8699      0.00000
    121       0.9658      0.00000
    122       1.1349      0.00000
    123       1.2484      0.00000
    124       1.4624      0.00000
    125       1.5870      0.00000
    126       1.7853      0.00000
    127       1.8468      0.00000
    128       1.8727      0.00000
    129       2.0039      0.00000
    130       2.0438      0.00000
    131       2.1832      0.00000
    132       2.2373      0.00000
    133       2.4023      0.00000
    134       2.4254      0.00000
    135       2.5080      0.00000
    136       2.6602      0.00000
    137       2.6848      0.00000
    138       2.7449      0.00000
    139       2.7849      0.00000
    140       2.8776      0.00000
    141       2.9904      0.00000
    142       3.0964      0.00000
    143       3.1574      0.00000
    144       3.2088      0.00000
    145       3.2671      0.00000
    146       3.3025      0.00000
    147       3.3444      0.00000
    148       3.4954      0.00000
    149       3.5384      0.00000
    150       3.7195      0.00000
    151       3.7398      0.00000
    152       3.7715      0.00000
    153       3.8669      0.00000
    154       3.8815      0.00000
    155       3.9080      0.00000
    156       3.9698      0.00000
    157       4.0111      0.00000
    158       4.0456      0.00000
    159       4.0487      0.00000
    160       4.0945      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3160      1.00000
      2     -21.7579      1.00000
      3     -21.5642      1.00000
      4     -21.5374      1.00000
      5     -21.2013      1.00000
      6     -21.1630      1.00000
      7     -20.9826      1.00000
      8     -20.0952      1.00000
      9     -20.0569      1.00000
     10     -19.5430      1.00000
     11     -19.5229      1.00000
     12     -19.3420      1.00000
     13     -19.0249      1.00000
     14     -18.9853      1.00000
     15     -18.9745      1.00000
     16     -18.9690      1.00000
     17     -18.2930      1.00000
     18     -18.2796      1.00000
     19     -17.9439      1.00000
     20     -16.9977      1.00000
     21     -16.9576      1.00000
     22     -16.8801      1.00000
     23     -16.8674      1.00000
     24     -16.4132      1.00000
     25     -16.3908      1.00000
     26     -15.5379      1.00000
     27     -15.5347      1.00000
     28     -15.1706      1.00000
     29     -15.1691      1.00000
     30     -15.1282      1.00000
     31     -15.0338      1.00000
     32     -14.9984      1.00000
     33     -14.6306      1.00000
     34     -14.6239      1.00000
     35     -13.6602      1.00000
     36     -13.6506      1.00000
     37     -13.1689      1.00000
     38     -12.5705      1.00000
     39     -12.5112      1.00000
     40     -12.3829      1.00000
     41     -12.3824      1.00000
     42     -12.0335      1.00000
     43     -12.0296      1.00000
     44     -11.6518      1.00000
     45     -11.6119      1.00000
     46     -11.2035      1.00000
     47     -11.1548      1.00000
     48     -10.9526      1.00000
     49     -10.9400      1.00000
     50     -10.8577      1.00000
     51     -10.8257      1.00000
     52     -10.6194      1.00000
     53     -10.1431      1.00000
     54     -10.0819      1.00000
     55     -10.0231      1.00000
     56      -9.9425      1.00000
     57      -9.6287      1.00000
     58      -9.6273      1.00000
     59      -9.6008      1.00000
     60      -9.5382      1.00000
     61      -9.5017      1.00000
     62      -9.4769      1.00000
     63      -9.2691      1.00000
     64      -9.2335      1.00000
     65      -9.2049      1.00000
     66      -9.1769      1.00000
     67      -9.0601      1.00000
     68      -9.0450      1.00000
     69      -9.0417      1.00000
     70      -8.8746      1.00000
     71      -8.8061      1.00000
     72      -8.5310      1.00000
     73      -8.5309      1.00000
     74      -8.4932      1.00000
     75      -8.0297      1.00000
     76      -7.8303      1.00000
     77      -7.7956      1.00000
     78      -7.7722      1.00000
     79      -7.7018      1.00000
     80      -7.6827      1.00000
     81      -7.4189      1.00000
     82      -7.2859      1.00000
     83      -7.2498      1.00000
     84      -7.2009      1.00000
     85      -7.0790      1.00000
     86      -7.0778      1.00000
     87      -6.9368      1.00000
     88      -6.7084      1.00000
     89      -6.6720      1.00000
     90      -6.6277      1.00000
     91      -6.5562      1.00000
     92      -6.0700      1.00000
     93      -6.0297      1.00000
     94      -5.9994      1.00000
     95      -5.9363      1.00000
     96      -5.7976      1.00000
     97      -5.1769      1.00000
     98      -4.8920      1.00000
     99      -4.7916      1.00000
    100      -4.6103      1.00000
    101      -4.5117      1.00000
    102      -4.1382      1.00000
    103      -4.0897      1.00000
    104      -3.9298      1.00000
    105      -3.9151      1.00000
    106      -3.8196      1.00000
    107      -1.7519      0.00000
    108      -1.6963      0.00000
    109      -1.4100      0.00000
    110      -1.3705      0.00000
    111      -1.2645      0.00000
    112      -1.2352      0.00000
    113      -0.6259      0.00000
    114      -0.5983      0.00000
    115      -0.1897      0.00000
    116       0.0403      0.00000
    117       0.5946      0.00000
    118       0.7437      0.00000
    119       0.8487      0.00000
    120       0.9304      0.00000
    121       1.1672      0.00000
    122       1.2167      0.00000
    123       1.2506      0.00000
    124       1.4410      0.00000
    125       1.6041      0.00000
    126       1.6546      0.00000
    127       1.7197      0.00000
    128       1.7834      0.00000
    129       1.9182      0.00000
    130       1.9392      0.00000
    131       2.1523      0.00000
    132       2.1900      0.00000
    133       2.2683      0.00000
    134       2.3267      0.00000
    135       2.5621      0.00000
    136       2.5935      0.00000
    137       2.5989      0.00000
    138       2.7703      0.00000
    139       2.7988      0.00000
    140       2.8028      0.00000
    141       2.8939      0.00000
    142       2.9179      0.00000
    143       3.0334      0.00000
    144       3.0560      0.00000
    145       3.1230      0.00000
    146       3.3111      0.00000
    147       3.3244      0.00000
    148       3.3891      0.00000
    149       3.4891      0.00000
    150       3.5871      0.00000
    151       3.6553      0.00000
    152       3.6659      0.00000
    153       3.6858      0.00000
    154       3.9099      0.00000
    155       3.9840      0.00000
    156       4.0226      0.00000
    157       4.0939      0.00000
    158       4.2553      0.00000
    159       4.2652      0.00000
    160       4.2749      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1371      1.00000
      2     -22.0448      1.00000
      3     -21.8827      1.00000
      4     -21.3321      1.00000
      5     -20.9733      1.00000
      6     -20.9440      1.00000
      7     -20.4247      1.00000
      8     -20.3928      1.00000
      9     -20.2132      1.00000
     10     -20.2110      1.00000
     11     -19.8846      1.00000
     12     -19.8209      1.00000
     13     -18.8145      1.00000
     14     -18.7439      1.00000
     15     -18.2632      1.00000
     16     -18.2488      1.00000
     17     -18.0778      1.00000
     18     -18.0707      1.00000
     19     -17.7434      1.00000
     20     -17.7275      1.00000
     21     -17.1924      1.00000
     22     -17.1689      1.00000
     23     -17.0871      1.00000
     24     -17.0653      1.00000
     25     -16.0507      1.00000
     26     -15.8056      1.00000
     27     -15.7960      1.00000
     28     -15.7750      1.00000
     29     -15.1576      1.00000
     30     -14.4828      1.00000
     31     -14.4617      1.00000
     32     -14.2026      1.00000
     33     -13.9140      1.00000
     34     -13.8846      1.00000
     35     -13.7569      1.00000
     36     -13.7368      1.00000
     37     -13.5342      1.00000
     38     -13.5080      1.00000
     39     -13.2981      1.00000
     40     -12.5734      1.00000
     41     -12.0993      1.00000
     42     -12.0748      1.00000
     43     -11.9957      1.00000
     44     -11.9481      1.00000
     45     -11.6037      1.00000
     46     -11.5962      1.00000
     47     -11.0821      1.00000
     48     -11.0587      1.00000
     49     -10.7289      1.00000
     50     -10.6619      1.00000
     51     -10.5525      1.00000
     52     -10.1377      1.00000
     53     -10.1332      1.00000
     54     -10.0982      1.00000
     55      -9.9639      1.00000
     56      -9.9234      1.00000
     57      -9.9192      1.00000
     58      -9.7489      1.00000
     59      -9.7272      1.00000
     60      -9.6956      1.00000
     61      -9.6926      1.00000
     62      -9.3967      1.00000
     63      -9.3864      1.00000
     64      -9.0647      1.00000
     65      -8.9798      1.00000
     66      -8.9796      1.00000
     67      -8.9042      1.00000
     68      -8.8100      1.00000
     69      -8.6477      1.00000
     70      -8.6320      1.00000
     71      -8.5425      1.00000
     72      -8.4994      1.00000
     73      -8.4807      1.00000
     74      -8.3923      1.00000
     75      -8.3811      1.00000
     76      -8.2070      1.00000
     77      -8.0982      1.00000
     78      -8.0047      1.00000
     79      -7.8987      1.00000
     80      -7.8406      1.00000
     81      -7.6197      1.00000
     82      -7.5309      1.00000
     83      -7.4557      1.00000
     84      -7.2624      1.00000
     85      -6.9411      1.00000
     86      -6.8677      1.00000
     87      -6.8089      1.00000
     88      -6.4766      1.00000
     89      -6.4672      1.00000
     90      -6.4080      1.00000
     91      -6.3579      1.00000
     92      -6.1840      1.00000
     93      -5.8566      1.00000
     94      -5.7365      1.00000
     95      -5.7097      1.00000
     96      -5.5205      1.00000
     97      -5.3279      1.00000
     98      -5.1714      1.00000
     99      -5.1663      1.00000
    100      -5.1326      1.00000
    101      -4.6950      1.00000
    102      -4.3482      1.00000
    103      -4.2760      1.00000
    104      -4.0265      1.00000
    105      -3.8217      1.00000
    106      -3.2321      1.00000
    107      -2.4056      0.00000
    108      -1.3452      0.00000
    109      -1.2431      0.00000
    110      -1.1538      0.00000
    111      -1.1082      0.00000
    112      -0.5840      0.00000
    113      -0.5211      0.00000
    114      -0.4340      0.00000
    115      -0.2745      0.00000
    116      -0.0724      0.00000
    117      -0.0116      0.00000
    118       0.0597      0.00000
    119       0.5839      0.00000
    120       0.7101      0.00000
    121       0.8203      0.00000
    122       0.9553      0.00000
    123       1.1956      0.00000
    124       1.5326      0.00000
    125       1.6310      0.00000
    126       1.8875      0.00000
    127       2.0253      0.00000
    128       2.0615      0.00000
    129       2.0941      0.00000
    130       2.1400      0.00000
    131       2.2304      0.00000
    132       2.2867      0.00000
    133       2.3385      0.00000
    134       2.4287      0.00000
    135       2.6117      0.00000
    136       2.7162      0.00000
    137       2.8493      0.00000
    138       2.9145      0.00000
    139       2.9450      0.00000
    140       3.0271      0.00000
    141       3.0619      0.00000
    142       3.1287      0.00000
    143       3.1768      0.00000
    144       3.2331      0.00000
    145       3.3097      0.00000
    146       3.3226      0.00000
    147       3.3631      0.00000
    148       3.3816      0.00000
    149       3.4377      0.00000
    150       3.4589      0.00000
    151       3.5675      0.00000
    152       3.6139      0.00000
    153       3.6580      0.00000
    154       3.7015      0.00000
    155       3.8723      0.00000
    156       3.9169      0.00000
    157       3.9474      0.00000
    158       3.9701      0.00000
    159       4.1824      0.00000
    160       4.2082      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2100      1.00000
      2     -22.0049      1.00000
      3     -21.6428      1.00000
      4     -21.6120      1.00000
      5     -20.9064      1.00000
      6     -20.8662      1.00000
      7     -20.5359      1.00000
      8     -20.5037      1.00000
      9     -20.4970      1.00000
     10     -19.9596      1.00000
     11     -19.4379      1.00000
     12     -19.4159      1.00000
     13     -19.2370      1.00000
     14     -19.2299      1.00000
     15     -18.3733      1.00000
     16     -18.3387      1.00000
     17     -17.8562      1.00000
     18     -17.8402      1.00000
     19     -17.6887      1.00000
     20     -17.6533      1.00000
     21     -17.3698      1.00000
     22     -17.3556      1.00000
     23     -17.2655      1.00000
     24     -16.4107      1.00000
     25     -16.3875      1.00000
     26     -15.9018      1.00000
     27     -15.3408      1.00000
     28     -15.3360      1.00000
     29     -15.0284      1.00000
     30     -15.0189      1.00000
     31     -14.7747      1.00000
     32     -14.7726      1.00000
     33     -14.2353      1.00000
     34     -14.1849      1.00000
     35     -13.3855      1.00000
     36     -13.3314      1.00000
     37     -13.1088      1.00000
     38     -13.1010      1.00000
     39     -12.9148      1.00000
     40     -12.9092      1.00000
     41     -12.5434      1.00000
     42     -12.5359      1.00000
     43     -12.1317      1.00000
     44     -11.5108      1.00000
     45     -11.4667      1.00000
     46     -11.2419      1.00000
     47     -11.2106      1.00000
     48     -11.0844      1.00000
     49     -10.7003      1.00000
     50     -10.5933      1.00000
     51     -10.5058      1.00000
     52     -10.2496      1.00000
     53     -10.2455      1.00000
     54     -10.1188      1.00000
     55     -10.0519      1.00000
     56     -10.0373      1.00000
     57      -9.7814      1.00000
     58      -9.6851      1.00000
     59      -9.6715      1.00000
     60      -9.6358      1.00000
     61      -9.6262      1.00000
     62      -9.5837      1.00000
     63      -9.2935      1.00000
     64      -9.2818      1.00000
     65      -9.2504      1.00000
     66      -9.0589      1.00000
     67      -8.8932      1.00000
     68      -8.8822      1.00000
     69      -8.7166      1.00000
     70      -8.5763      1.00000
     71      -8.5237      1.00000
     72      -8.3482      1.00000
     73      -8.3030      1.00000
     74      -8.2418      1.00000
     75      -8.2366      1.00000
     76      -8.1928      1.00000
     77      -8.1806      1.00000
     78      -8.1675      1.00000
     79      -8.1007      1.00000
     80      -7.6871      1.00000
     81      -7.4240      1.00000
     82      -7.3415      1.00000
     83      -7.2581      1.00000
     84      -7.1676      1.00000
     85      -7.1084      1.00000
     86      -7.0047      1.00000
     87      -6.9019      1.00000
     88      -6.8476      1.00000
     89      -6.5405      1.00000
     90      -6.4974      1.00000
     91      -6.2065      1.00000
     92      -6.2002      1.00000
     93      -5.8935      1.00000
     94      -5.6716      1.00000
     95      -5.6046      1.00000
     96      -5.5788      1.00000
     97      -5.2523      1.00000
     98      -5.2302      1.00000
     99      -5.1636      1.00000
    100      -5.1334      1.00000
    101      -4.5991      1.00000
    102      -4.2463      1.00000
    103      -4.0429      1.00000
    104      -3.8835      1.00000
    105      -3.8359      1.00000
    106      -3.7979      1.00000
    107      -1.8081      0.00000
    108      -1.7812      0.00000
    109      -1.2253      0.00000
    110      -1.1747      0.00000
    111      -0.9738      0.00000
    112      -0.7346      0.00000
    113      -0.6497      0.00000
    114      -0.5939      0.00000
    115      -0.5493      0.00000
    116      -0.1561      0.00000
    117       0.1761      0.00000
    118       0.2879      0.00000
    119       0.7173      0.00000
    120       0.9601      0.00000
    121       1.1716      0.00000
    122       1.2772      0.00000
    123       1.3574      0.00000
    124       1.5267      0.00000
    125       1.6183      0.00000
    126       1.6387      0.00000
    127       1.6962      0.00000
    128       1.7815      0.00000
    129       1.8784      0.00000
    130       2.0432      0.00000
    131       2.1696      0.00000
    132       2.2862      0.00000
    133       2.4216      0.00000
    134       2.4244      0.00000
    135       2.5780      0.00000
    136       2.6418      0.00000
    137       2.6958      0.00000
    138       2.7007      0.00000
    139       2.7776      0.00000
    140       2.9166      0.00000
    141       3.0637      0.00000
    142       3.0755      0.00000
    143       3.2055      0.00000
    144       3.2929      0.00000
    145       3.4077      0.00000
    146       3.4246      0.00000
    147       3.4674      0.00000
    148       3.5536      0.00000
    149       3.5940      0.00000
    150       3.6426      0.00000
    151       3.6767      0.00000
    152       3.7014      0.00000
    153       3.7576      0.00000
    154       3.7625      0.00000
    155       3.8443      0.00000
    156       3.9163      0.00000
    157       3.9174      0.00000
    158       3.9822      0.00000
    159       4.2031      0.00000
    160       4.2407      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0411   -7.2565    3.9831   -1.1307   -0.1847   17.3744    0.4933   -0.8150    0.7705   -0.4753
x    -3.1260   -0.0251   -0.0203   -0.0267    0.0918   -3.0545    0.0301   -0.0244    0.0083    0.0018
x    -0.0953   -0.0029    0.0036   -0.0031    0.0021   -0.0242    0.0000    0.0000   -0.0001    0.0001
x    -0.0035   -0.0001    0.0000    0.0000    0.0000    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   -0.0035    0.0000    0.0004    0.0007    0.0028   -0.0986   -0.0313    0.0616    0.0185
y     0.0230   -3.2421   -0.1793    0.1695   -2.4149   -0.6652
z   204.0411    1.7378    0.2869    0.0906   -0.0015    0.0776   -0.0019    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1043    0.0015   -0.0009   -0.0001    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0013   -0.0001    0.0001    0.0000
z    -0.0001    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  -16.6742
z     0.1431    0.2286   -0.0327    0.0570   -0.0904    0.0006
 total charge-density along one line
x   212.0000  -10.0874    5.9299   -1.9396   -0.4203   19.2931   -0.6563    0.2077    0.0649   -0.1043
x    -2.7067   -0.0087    0.0023   -0.0461    0.0979   -2.3460    0.0476   -0.0343    0.0116    0.0024
x    -0.0853   -0.0056    0.0083   -0.0079    0.0053   -0.0374    0.0000   -0.0001    0.0004   -0.0004
x    -0.0054    0.0000   -0.0002    0.0001    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  -10.0874    5.9299   -1.9396   -0.4203   19.2931   -0.6563    0.2077    0.0649   -0.1043
y    -2.7067   -0.0087    0.0023   -0.0461    0.0979   -2.3460    0.0476   -0.0343    0.0116    0.0024
y    -0.0853   -0.0056    0.0083   -0.0079    0.0053   -0.0374    0.0000   -0.0001    0.0004   -0.0004
y    -0.0054    0.0000   -0.0002    0.0001    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 -205.2893  188.8263 -170.1189  154.0723 -140.4344  126.5445 -111.0446   94.7379  -79.0385
z    64.6517  -51.7145   40.4975  -31.4768   24.7826  -19.8685   15.8628  -12.2019    8.8880   -6.2037
z     4.2794   -2.9526    1.9570   -1.1501    0.5419   -0.1585   -0.0602    0.2235   -0.3878    0.5217
z    -0.5680    0.5215   -0.4373    0.3747   -0.3477    0.3298   -0.2950    0.2445   -0.1969    0.1639
z    -0.1412    0.1192   -0.0953    0.0743   -0.0608    0.0531   -0.0467    0.0389   -0.0312    0.0257
z    -0.0226    0.0202   -0.0172    0.0140   -0.0113    0.0092   -0.0075    0.0058   -0.0043    0.0031
z    -0.0022    0.0013   -0.0004   -0.0002    0.0004   -0.0004    0.0005   -0.0008    0.0008   -0.0007
z     0.0004   -0.0002    0.0001   -0.0001    0.0000    0.0002   -0.0003    0.0003   -0.0003    0.0003
z    -0.0003    0.0003   -0.0002    0.0002   -0.0002    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001
z     0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 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
-10.938   0.000   0.042   0.000   0.003   0.199   0.000  -0.006
  0.000 -11.267   0.000  -0.102   0.000   0.000   0.239   0.000
  0.042   0.000 -11.241   0.000  -0.024  -0.006   0.000   0.237
  0.000  -0.102   0.000 -11.149   0.000   0.000   0.012   0.000
  0.003   0.000  -0.024   0.000 -10.935   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.237   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.225   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.198   0.000   0.000   0.000
  0.036   0.000   0.100   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.026   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.938   0.000   0.042   0.000   0.003   0.199   0.000  -0.006
  0.000 -11.267   0.000  -0.102   0.000   0.000   0.239   0.000
  0.042   0.000 -11.241   0.000  -0.024  -0.006   0.000   0.237
  0.000  -0.102   0.000 -11.149   0.000   0.000   0.012   0.000
  0.003   0.000  -0.024   0.000 -10.935   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.237   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.225   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.198   0.000   0.000   0.000
  0.036   0.000   0.100   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.026   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.960   0.000  -0.027   0.000   0.002   0.022   0.000   0.058   0.000  -0.014  -0.027   0.025   0.000   0.000   0.000   0.000
  0.000   1.585   0.000  -0.148   0.000   0.000   0.596   0.000   0.262   0.000   0.000   0.000   0.161   0.000   0.107  -0.035
 -0.027   0.000   1.790   0.000   0.019   0.044   0.000   0.352   0.000  -0.027  -0.231  -0.042   0.000   0.097   0.000   0.000
  0.000  -0.148   0.000   1.756   0.000   0.000   0.262   0.000   0.294   0.000   0.000   0.000   0.109   0.000   0.039   0.005
  0.002   0.000   0.019   0.000   1.966  -0.014   0.000  -0.036   0.000   0.004   0.011  -0.015   0.000   0.003   0.000   0.000
  0.022   0.000   0.044   0.000  -0.014   0.064   0.000   0.102   0.000  -0.025   0.195  -0.053   0.000   0.116   0.000   0.000
  0.000   0.596   0.000   0.262   0.000   0.000   0.331   0.000   0.108   0.000   0.000   0.000   0.058   0.000   0.066  -0.011
  0.058   0.000   0.352   0.000  -0.036   0.102   0.000   0.556   0.000  -0.058   0.697  -0.289   0.000   0.087   0.000   0.000
  0.000   0.262   0.000   0.294   0.000   0.000   0.108   0.000   0.206   0.000   0.000   0.000   0.065   0.000  -0.018  -0.006
 -0.014   0.000  -0.027   0.000   0.004  -0.025   0.000  -0.058   0.000   0.036  -0.111   0.031   0.000  -0.068   0.000   0.000
 -0.027   0.000  -0.231   0.000   0.011   0.195   0.000   0.697   0.000  -0.111   1.352  -0.432   0.000   0.268   0.000   0.000
  0.025   0.000  -0.042   0.000  -0.015  -0.053   0.000  -0.289   0.000   0.031  -0.432   0.191   0.000  -0.034   0.000   0.000
  0.000   0.161   0.000   0.109   0.000   0.000   0.058   0.000   0.065   0.000   0.000   0.000   0.044   0.000   0.012  -0.004
  0.000   0.000   0.097   0.000   0.003   0.116   0.000   0.087   0.000  -0.068   0.268  -0.034   0.000   0.307   0.000   0.000
  0.000   0.107   0.000   0.039   0.000   0.000   0.066   0.000  -0.018   0.000   0.000   0.000   0.012   0.000   0.031  -0.002
  0.000  -0.035   0.000   0.005   0.000   0.000  -0.011   0.000  -0.006   0.000   0.000   0.000  -0.004   0.000  -0.002   0.001
  0.002   0.000  -0.037   0.000  -0.001  -0.005   0.000  -0.009   0.000   0.003  -0.007   0.000   0.000  -0.014   0.000   0.000
  0.000   0.005   0.000  -0.041   0.000   0.000  -0.006   0.000  -0.004   0.000   0.000   0.000  -0.002   0.000  -0.002   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        0.639   0.275   8.027   8.941
  2        0.514   0.028   0.000   0.542
  3        0.514   0.028   0.000   0.542
  4        0.864   1.783   0.000   2.646
  5        0.864   1.782   0.000   2.646
  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   2.646
 10        0.864   1.783   0.000   2.647
 11        0.863   1.782   0.000   2.645
 12        0.864   1.784   0.000   2.648
 13        0.863   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        0.863   1.776   0.000   2.640
 17        0.856   1.772   0.000   2.628
 18        0.864   1.784   0.000   2.647
 19        0.864   1.782   0.000   2.646
 20        0.864   1.782   0.000   2.645
 21        0.863   1.781   0.000   2.644
 22        0.863   1.776   0.000   2.639
 23        0.863   1.783   0.000   2.646
 24        0.864   1.783   0.000   2.646
 25        0.863   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   1.783   0.000   2.647
 29        0.864   1.783   0.000   2.646
 30        0.864   1.783   0.000   2.647
 31        0.864   1.783   0.000   2.647
 32        0.864   1.782   0.000   2.646
 33        0.863   1.782   0.000   2.646
 34        0.864   1.782   0.000   2.646
 35        0.863   1.783   0.000   2.646
 36        0.863   1.776   0.000   2.639
 37        0.863   1.781   0.000   2.644
 38        0.864   1.782   0.000   2.645
 39        0.864   1.783   0.000   2.647
 40        0.864   1.784   0.000   2.647
 41        0.856   1.772   0.000   2.628
 42        0.863   1.776   0.000   2.640
 43        0.864   1.784   0.000   2.647
 44        0.864   1.783   0.000   2.646
 45        0.863   1.782   0.000   2.646
 46        0.864   1.784   0.000   2.648
 47        0.863   1.782   0.000   2.645
 48        0.864   1.783   0.000   2.647
 49        0.864   1.783   0.000   2.646
 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   1.782   0.000   2.646
------------------------------------------------
tot       44.829  89.416   8.027 142.272
 


 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   45.47
    FORLOC:  VPU time    1.10: CPU time    1.09
    FORNL :  VPU time  364.26: CPU time  182.49
    STRESS:  VPU time 1095.46: CPU time  550.56
    FORCOR:  VPU time    7.44: CPU time    7.44
    FORHAR:  VPU time    1.97: CPU time    1.97
    MIXING:  VPU time    0.13: CPU time    0.13
 d Force = 0.7756134E-05[ 0.486E-05, 0.106E-04]  d Energy =-0.5380673E-05 0.131E-04
 d Force = 0.5068800E+00[ 0.507E+00, 0.507E+00]  d Ewald  = 0.5826030E+01-0.532E+01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.644902 eV

  energy  without entropy=     -471.644902  energy(sigma->0) =     -471.644902
 

  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    40704.70  40721.72 -47405.70     14.74      0.00      0.00
  Hartree  40170.88  40174.65 -39425.06      3.26      0.00      0.00
  E(xc)     -779.70   -779.51   -807.23      0.17      0.00      0.00
  Local   -83168.86 -83183.40  84148.11    -12.59      0.00      0.00
  n-local   -215.74   -215.66   -203.80     -0.19      0.00      0.00
  augment     22.10     20.53     17.37     -1.37      0.00      0.00
  Kinetic   3168.31   3170.99   3581.89     -6.14      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.59     -0.53     -0.49      0.06      0.00      0.00
  in kB       -0.36     -0.32     -0.30      0.04      0.00      0.00
  external pressure =       -0.33 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
    12.348933119  0.001374538  0.000000000     0.080973453  0.046738096  0.000000000
    -6.173282818 10.695173110  0.000000000    -0.000010407  0.093494116  0.000000000
     0.000000000  0.000000000 19.972839364     0.000000000  0.000000000  0.050067994

  length of vectors
    12.348933195 12.348933096 19.972839364     0.093494116  0.093494117  0.050067994


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.402E-05 -.457E-04 -.959E+03   0.429E-05 -.274E-04 0.967E+03   -.180E-20 -.596E-22 -.797E+01   -.210E-07 0.143E-07 -.488E-02
   -.176E+02 -.305E+02 -.136E+03   0.184E+02 0.319E+02 0.138E+03   -.833E+00 -.144E+01 -.258E+01   0.928E-04 0.160E-03 -.151E-02
   0.176E+02 0.305E+02 -.136E+03   -.184E+02 -.319E+02 0.138E+03   0.833E+00 0.144E+01 -.258E+01   -.928E-04 -.160E-03 -.151E-02
   -.199E+01 0.115E+01 0.173E+02   0.200E+01 -.115E+01 -.173E+02   -.928E-02 0.536E-02 -.596E-02   0.964E-04 -.586E-04 0.505E-02
   0.578E+01 0.687E+01 0.200E+02   -.579E+01 -.690E+01 -.200E+02   0.620E-02 0.343E-01 -.165E-01   0.564E-04 -.116E-03 0.397E-02
   0.112E+02 0.506E+01 0.184E+02   -.112E+02 -.508E+01 -.183E+02   0.260E-01 0.789E-02 -.524E-01   -.259E-04 -.133E-03 0.101E-02
   0.452E+01 -.991E+00 0.163E+02   -.454E+01 0.100E+01 -.162E+02   0.190E-01 -.200E-01 -.293E-02   0.435E-03 0.125E-03 0.140E-03
   -.293E+01 -.240E+01 0.151E+02   0.294E+01 0.242E+01 -.151E+02   -.145E-01 -.149E-01 -.739E-03   0.389E-03 -.238E-03 0.253E-02
   0.617E+00 0.374E+01 0.151E+02   -.624E+00 -.376E+01 -.151E+02   0.564E-02 0.200E-01 -.739E-03   0.395E-03 -.223E-03 0.253E-02
   0.271E+01 0.182E+02 0.245E+02   -.272E+01 -.183E+02 -.245E+02   0.992E-02 0.109E+00 -.108E-01   0.824E-04 -.446E-03 0.115E-02
   0.214E+02 0.225E+02 0.395E+02   -.215E+02 -.228E+02 -.395E+02   0.119E+00 0.229E+00 -.203E-01   -.362E-03 -.657E-03 -.955E-04
   0.264E+02 -.448E+01 0.268E+02   -.267E+02 0.460E+01 -.267E+02   0.237E+00 -.118E+00 -.596E-01   -.503E-03 0.230E-03 -.753E-03
   0.917E+01 -.530E+01 0.156E+02   -.920E+01 0.531E+01 -.156E+02   0.143E-01 -.824E-02 0.590E-02   0.803E-04 -.526E-04 0.956E-03
   0.312E+01 -.342E+01 0.163E+02   -.314E+01 0.343E+01 -.162E+02   0.268E-01 -.649E-02 -.293E-02   0.107E-03 -.444E-03 0.131E-03
   -.606E+01 0.132E+02 0.198E+02   0.607E+01 -.132E+02 -.198E+02   -.360E-02 0.752E-01 -.125E-01   0.389E-03 -.198E-03 -.774E-04
   -.122E+02 0.334E+02 0.459E+02   0.123E+02 -.341E+02 -.463E+02   -.919E-01 0.677E+00 0.350E+00   0.577E-03 -.131E-02 -.138E-02
   0.263E+02 -.152E+02 0.694E+02   -.272E+02 0.157E+02 -.715E+02   0.962E+00 -.556E+00 0.209E+01   -.119E-02 0.685E-03 -.538E-02
   0.171E+02 -.207E+02 0.268E+02   -.173E+02 0.208E+02 -.267E+02   0.221E+00 -.146E+00 -.596E-01   -.454E-03 0.313E-03 -.758E-03
   0.122E+01 -.122E+02 0.184E+02   -.122E+01 0.123E+02 -.183E+02   0.617E-02 -.265E-01 -.524E-01   0.105E-03 0.877E-04 0.100E-02
   -.389E+01 0.152E+01 0.145E+02   0.390E+01 -.152E+01 -.144E+02   -.713E-02 0.512E-02 -.414E-01   0.262E-03 -.256E-03 0.143E-02
   -.181E+02 0.105E+02 0.209E+02   0.182E+02 -.105E+02 -.208E+02   -.633E-01 0.365E-01 -.127E+00   0.298E-03 -.168E-03 -.911E-03
   -.350E+02 -.609E+01 0.459E+02   0.357E+02 0.635E+01 -.463E+02   -.632E+00 -.259E+00 0.350E+00   0.143E-02 0.155E-03 -.138E-02
   -.883E+01 -.298E+02 0.395E+02   0.897E+01 0.300E+02 -.395E+02   -.139E+00 -.217E+00 -.203E-01   0.391E-03 0.638E-03 -.974E-04
   -.306E+01 -.845E+01 0.200E+02   0.308E+01 0.847E+01 -.200E+02   -.266E-01 -.225E-01 -.165E-01   0.130E-03 0.721E-05 0.397E-02
   0.126E+01 -.728E+00 0.149E+02   -.126E+01 0.727E+00 -.149E+02   -.132E-02 0.761E-03 -.323E-01   0.554E-04 -.299E-04 0.401E-02
   -.326E+01 0.261E+01 0.145E+02   0.326E+01 -.262E+01 -.144E+02   -.800E-02 0.361E-02 -.414E-01   0.355E-03 -.940E-04 0.144E-02
   -.144E+02 -.133E+01 0.198E+02   0.145E+02 0.136E+01 -.198E+02   -.670E-01 -.345E-01 -.125E-01   0.368E-03 -.239E-03 -.697E-04
   -.144E+02 -.114E+02 0.245E+02   0.145E+02 0.115E+02 -.245E+02   -.892E-01 -.630E-01 -.108E-01   0.429E-03 0.146E-03 0.115E-02
   0.306E+01 0.845E+01 0.200E+02   -.308E+01 -.847E+01 -.200E+02   0.266E-01 0.225E-01 -.165E-01   -.130E-03 -.720E-05 0.397E-02
   0.144E+02 0.114E+02 0.245E+02   -.145E+02 -.115E+02 -.245E+02   0.892E-01 0.630E-01 -.108E-01   -.429E-03 -.146E-03 0.115E-02
   0.144E+02 0.133E+01 0.198E+02   -.145E+02 -.136E+01 -.198E+02   0.670E-01 0.345E-01 -.125E-01   -.368E-03 0.239E-03 -.697E-04
   0.326E+01 -.261E+01 0.145E+02   -.326E+01 0.262E+01 -.144E+02   0.800E-02 -.361E-02 -.414E-01   -.355E-03 0.940E-04 0.144E-02
   -.126E+01 0.728E+00 0.149E+02   0.126E+01 -.727E+00 -.149E+02   0.132E-02 -.761E-03 -.323E-01   -.554E-04 0.299E-04 0.401E-02
   -.122E+01 0.122E+02 0.184E+02   0.122E+01 -.123E+02 -.183E+02   -.617E-02 0.265E-01 -.524E-01   -.105E-03 -.877E-04 0.100E-02
   0.883E+01 0.298E+02 0.395E+02   -.897E+01 -.300E+02 -.395E+02   0.139E+00 0.217E+00 -.203E-01   -.391E-03 -.638E-03 -.974E-04
   0.350E+02 0.609E+01 0.459E+02   -.357E+02 -.635E+01 -.463E+02   0.632E+00 0.259E+00 0.350E+00   -.143E-02 -.155E-03 -.138E-02
   0.181E+02 -.105E+02 0.209E+02   -.182E+02 0.105E+02 -.208E+02   0.633E-01 -.365E-01 -.127E+00   -.298E-03 0.168E-03 -.911E-03
   0.389E+01 -.152E+01 0.145E+02   -.390E+01 0.152E+01 -.144E+02   0.713E-02 -.512E-02 -.414E-01   -.262E-03 0.256E-03 0.143E-02
   -.312E+01 0.342E+01 0.163E+02   0.314E+01 -.343E+01 -.162E+02   -.268E-01 0.649E-02 -.293E-02   -.107E-03 0.444E-03 0.131E-03
   -.171E+02 0.207E+02 0.268E+02   0.173E+02 -.208E+02 -.267E+02   -.221E+00 0.146E+00 -.596E-01   0.454E-03 -.313E-03 -.758E-03
   -.263E+02 0.152E+02 0.694E+02   0.272E+02 -.157E+02 -.715E+02   -.962E+00 0.556E+00 0.209E+01   0.119E-02 -.685E-03 -.538E-02
   0.122E+02 -.334E+02 0.459E+02   -.123E+02 0.341E+02 -.463E+02   0.919E-01 -.677E+00 0.350E+00   -.577E-03 0.131E-02 -.138E-02
   0.606E+01 -.132E+02 0.198E+02   -.607E+01 0.132E+02 -.198E+02   0.360E-02 -.752E-01 -.125E-01   -.389E-03 0.198E-03 -.774E-04
   -.617E+00 -.374E+01 0.151E+02   0.624E+00 0.376E+01 -.151E+02   -.564E-02 -.200E-01 -.739E-03   -.395E-03 0.223E-03 0.253E-02
   -.917E+01 0.530E+01 0.156E+02   0.920E+01 -.531E+01 -.156E+02   -.143E-01 0.824E-02 0.590E-02   -.803E-04 0.526E-04 0.956E-03
   -.264E+02 0.448E+01 0.268E+02   0.267E+02 -.460E+01 -.267E+02   -.237E+00 0.118E+00 -.596E-01   0.503E-03 -.230E-03 -.753E-03
   -.214E+02 -.225E+02 0.395E+02   0.215E+02 0.228E+02 -.395E+02   -.119E+00 -.229E+00 -.203E-01   0.362E-03 0.657E-03 -.955E-04
   -.271E+01 -.182E+02 0.245E+02   0.272E+01 0.183E+02 -.245E+02   -.992E-02 -.109E+00 -.108E-01   -.824E-04 0.446E-03 0.115E-02
   0.199E+01 -.115E+01 0.173E+02   -.200E+01 0.115E+01 -.173E+02   0.928E-02 -.536E-02 -.596E-02   -.964E-04 0.586E-04 0.505E-02
   0.293E+01 0.240E+01 0.151E+02   -.294E+01 -.242E+01 -.151E+02   0.145E-01 0.149E-01 -.739E-03   -.389E-03 0.238E-03 0.253E-02
   -.452E+01 0.991E+00 0.163E+02   0.454E+01 -.100E+01 -.162E+02   -.190E-01 0.200E-01 -.293E-02   -.435E-03 -.125E-03 0.140E-03
   -.112E+02 -.506E+01 0.184E+02   0.112E+02 0.508E+01 -.183E+02   -.260E-01 -.789E-02 -.524E-01   0.259E-04 0.133E-03 0.101E-02
   -.578E+01 -.687E+01 0.200E+02   0.579E+01 0.690E+01 -.200E+02   -.620E-02 -.343E-01 -.165E-01   -.564E-04 0.116E-03 0.397E-02
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.306E-03 0.869E+01   0.113E-12 0.140E-12 -.284E-12   -.163E-15 -.215E-15 -.874E+01   -.339E-07 0.216E-07 0.312E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85301      6.06119     12.33728         0.000000      0.000000     -0.039369
      2.26234      6.77018     13.65326         0.004438      0.007686      0.015880
      1.44368      5.35221     13.65326        -0.004438     -0.007686      0.015880
      0.00057     -0.00033      9.95366         0.000701     -0.000405     -0.003202
     11.11348      2.13920      9.95572        -0.000562      0.002158     -0.000605
      9.87773      4.27901      9.96875         0.003306     -0.004263      0.001242
      8.64429      6.41856      9.96827        -0.002508     -0.006677      0.000021
     -4.93699      8.55619      9.96286        -0.000190      0.001061     -0.001570
      2.47056     -0.00117      9.96286        -0.001014     -0.000366     -0.001570
      1.23479      2.13623      9.96853         0.001974     -0.005106     -0.001994
     -0.00412      4.27508      9.99793         0.004353      0.003585     -0.001467
     -1.23872      6.41644     10.00369         0.004060      0.000352      0.000018
     -2.46744      8.55561      9.97580        -0.008051      0.004648      0.002487
      4.93916      0.00109      9.96827         0.004528      0.005510      0.000021
      3.70519      2.13656      9.97653         0.005176      0.000965     -0.000756
      2.47087      4.26348     10.04103         0.000326     -0.002753      0.005447
      1.22852      6.42174     10.11225        -0.001574      0.000909      0.008762
     -0.00050      8.56109     10.00369         0.001726     -0.003692      0.000018
      7.40879      0.00268      9.96875         0.005344     -0.000731      0.001242
      6.17408      2.14002      9.96870         0.000331      0.007935     -0.000726
      4.94081      4.27845      9.99763        -0.001703      0.000983     -0.000266
      3.71881      6.42497     10.04103         0.002547      0.001094      0.005447
      2.47126      8.56257      9.99793        -0.000928     -0.005562     -0.001467
      9.87980      0.00239      9.95572        -0.002149     -0.000592     -0.000605
      8.64365      2.14062      9.95884         0.000523     -0.000302     -0.003199
      7.40938      4.27963      9.96870        -0.006707     -0.004254     -0.000726
      6.17794      6.41948      9.97653         0.001752     -0.004965     -0.000756
      4.94302      8.55907      9.96853         0.005409      0.000843     -0.001994
     -0.00049      1.42482      9.95572         0.002149      0.000592     -0.000605
     -1.23700      3.56332      9.96853        -0.005409     -0.000843     -0.001994
     -2.47192      5.70291      9.97653        -0.001752      0.004965     -0.000756
     -3.70336      7.84276      9.96870         0.006707      0.004254     -0.000726
     -4.93763      9.98177      9.95884        -0.000523      0.000302     -0.003199
      2.47051      1.42454      9.96875        -0.005344      0.000731      0.001242
      1.23476      3.55981      9.99793         0.000928      0.005562     -0.001467
     -0.01279      5.69742     10.04103        -0.002547     -0.001094      0.005447
     -1.23479      7.84393      9.99763         0.001703     -0.000983     -0.000266
     -2.46806      9.98237      9.96870        -0.000331     -0.007935     -0.000726
      4.94014      1.42612      9.96827        -0.004528     -0.005510      0.000021
      3.70652      3.56130     10.00369        -0.001726      0.003692      0.000018
      2.47750      5.70065     10.11225         0.001574     -0.000909      0.008762
      1.23515      7.85891     10.04103        -0.000326      0.002753      0.005447
      0.00083      9.98583      9.97653        -0.005176     -0.000965     -0.000756
      7.40874      1.42839      9.96286         0.001014      0.000366     -0.001570
      6.17347      3.56678      9.97580         0.008051     -0.004648      0.002487
      4.94474      5.70595     10.00369        -0.004060     -0.000352      0.000018
      3.71014      7.84730      9.99793        -0.004353     -0.003585     -0.001467
      2.47123      9.98615      9.96853        -0.001974      0.005106     -0.001994
      9.87873      1.42755      9.95366        -0.000701      0.000405     -0.003202
      8.64301      3.56620      9.96286         0.000190     -0.001061     -0.001570
      7.41066      5.70520      9.96827         0.002508      0.006677      0.000021
      6.17722      7.84475      9.96875        -0.003306      0.004263      0.001242
      4.94147      9.98456      9.95572         0.000562     -0.002158     -0.000605
 -----------------------------------------------------------------------------------
    total drift:                               -0.001814      0.000306     -0.024623


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




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


    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  150.41: CPU time   75.27
     LOOP+:  VPU time 4384.44: CPU time 2238.97


----------------------------------------- Iteration   30(   1)  ---------------------------------------


    POTLOK:  VPU time    7.85: CPU time    7.73
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1203.28: CPU time  615.17
 BZINTS: Fermi energy: -3.148282;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   45.39
    MIXING:  VPU time    0.13: CPU time    0.12
    ------------------------------------------
      LOOP:  VPU time 1301.52: CPU time  668.73

 eigenvalue-minimisations  :  4552
 total energy-change (2. order) :-0.4716449E+03  (-0.1965968E-04)
 number of electron  212.0000031 magnetization    0.0000000
 augmentation part     7.9590442 magnetization   -0.0000003

 Broyden mixing:
  rms(total) = 0.35926E-03    rms(broyden)= 0.35910E-03
  rms(prec ) = 0.41962E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34020.81261425
  -1/2 Hartree   DENC   =    -40921.11082600
  -V(xc)+E(xc)   XCENC  =       726.55570952
  PAW double counting   =      4091.67946543    -4130.04846064
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2464.97326473
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64490857 eV

  energy without entropy =     -471.64490857  energy(sigma->0) =     -471.64490857


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




----------------------------------------- Iteration   30(   2)  ---------------------------------------


    POTLOK:  VPU time    7.73: CPU time    7.73
    SETDIJ:  VPU time    0.28: CPU time    0.29
    EDDAV :  VPU time 1115.58: CPU time  569.88
 BZINTS: Fermi energy: -3.148127;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1123.65: CPU time  577.92

 eigenvalue-minimisations  :  4056
 total energy-change (2. order) :-0.2603794E-05  (-0.8595529E-06)
 number of electron  212.0000031 magnetization    0.0000000
 augmentation part     7.9590442 magnetization   -0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34020.81261425
  -1/2 Hartree   DENC   =    -40921.06616170
  -V(xc)+E(xc)   XCENC  =       726.55509591
  PAW double counting   =      4091.68054634    -4130.04965267
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.01720690
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64491117 eV

  energy without entropy =     -471.64491117  energy(sigma->0) =     -471.64491117


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




 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 -58.5327       2 -39.9748       3 -39.9748       4 -58.2457       5 -58.2501
       6 -58.2574       7 -58.2481       8 -58.2463       9 -58.2463      10 -58.2622
      11 -58.3170      12 -58.2938      13 -58.2514      14 -58.2481      15 -58.2590
      16 -58.4386      17 -58.7312      18 -58.2938      19 -58.2574      20 -58.2517
      21 -58.2787      22 -58.4386      23 -58.3170      24 -58.2502      25 -58.2453
      26 -58.2517      27 -58.2590      28 -58.2622      29 -58.2500      30 -58.2621
      31 -58.2589      32 -58.2516      33 -58.2452      34 -58.2573      35 -58.3169
      36 -58.4386      37 -58.2786      38 -58.2516      39 -58.2480      40 -58.2937
      41 -58.7310      42 -58.4386      43 -58.2589      44 -58.2462      45 -58.2513
      46 -58.2937      47 -58.3169      48 -58.2621      49 -58.2456      50 -58.2462
      51 -58.2480      52 -58.2573      53 -58.2501
 
 
 
 E-fermi :  -3.1481     XC(G=0):  -2.3375     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     -22.3542      1.00000
      2     -21.5339      1.00000
      3     -21.4050      1.00000
      4     -21.4043      1.00000
      5     -21.3731      1.00000
      6     -21.3641      1.00000
      7     -21.3567      1.00000
      8     -19.6440      1.00000
      9     -19.5703      1.00000
     10     -19.5635      1.00000
     11     -19.5570      1.00000
     12     -19.5391      1.00000
     13     -19.5361      1.00000
     14     -18.7262      1.00000
     15     -18.6785      1.00000
     16     -18.6706      1.00000
     17     -18.6573      1.00000
     18     -18.6419      1.00000
     19     -18.6403      1.00000
     20     -16.5843      1.00000
     21     -16.5259      1.00000
     22     -16.5234      1.00000
     23     -16.5104      1.00000
     24     -16.4866      1.00000
     25     -16.4846      1.00000
     26     -15.5569      1.00000
     27     -15.5252      1.00000
     28     -15.5244      1.00000
     29     -15.4985      1.00000
     30     -15.4934      1.00000
     31     -15.4876      1.00000
     32     -14.2051      1.00000
     33     -14.1791      1.00000
     34     -14.1667      1.00000
     35     -14.1640      1.00000
     36     -14.1591      1.00000
     37     -14.1481      1.00000
     38     -11.8819      1.00000
     39     -11.8078      1.00000
     40     -11.7917      1.00000
     41     -11.7916      1.00000
     42     -11.7883      1.00000
     43     -11.7827      1.00000
     44     -11.7036      1.00000
     45     -11.6973      1.00000
     46     -11.6721      1.00000
     47     -11.6568      1.00000
     48     -11.6568      1.00000
     49     -11.6500      1.00000
     50     -10.6686      1.00000
     51     -10.3280      1.00000
     52     -10.3201      1.00000
     53     -10.3049      1.00000
     54     -10.3032      1.00000
     55     -10.2904      1.00000
     56     -10.2773      1.00000
     57      -9.9221      1.00000
     58      -9.3710      1.00000
     59      -9.3580      1.00000
     60      -9.2990      1.00000
     61      -9.2908      1.00000
     62      -9.2840      1.00000
     63      -9.0913      1.00000
     64      -9.0534      1.00000
     65      -9.0489      1.00000
     66      -9.0262      1.00000
     67      -9.0068      1.00000
     68      -9.0015      1.00000
     69      -9.0008      1.00000
     70      -8.9944      1.00000
     71      -8.9920      1.00000
     72      -8.9726      1.00000
     73      -8.9645      1.00000
     74      -8.9549      1.00000
     75      -8.4857      1.00000
     76      -7.5175      1.00000
     77      -7.4101      1.00000
     78      -7.4101      1.00000
     79      -7.3968      1.00000
     80      -7.3836      1.00000
     81      -7.3646      1.00000
     82      -7.3410      1.00000
     83      -7.3110      1.00000
     84      -7.2660      1.00000
     85      -7.2058      1.00000
     86      -7.1797      1.00000
     87      -7.1791      1.00000
     88      -7.0799      1.00000
     89      -6.5065      1.00000
     90      -6.4600      1.00000
     91      -6.3542      1.00000
     92      -6.2936      1.00000
     93      -6.2875      1.00000
     94      -6.2862      1.00000
     95      -5.8977      1.00000
     96      -5.8853      1.00000
     97      -5.0407      1.00000
     98      -4.9363      1.00000
     99      -4.5370      1.00000
    100      -4.3410      1.00000
    101      -4.3186      1.00000
    102      -4.3173      1.00000
    103      -4.1161      1.00000
    104      -3.9120      1.00000
    105      -3.9011      1.00000
    106      -3.8260      1.00000
    107      -1.6826      0.00000
    108      -1.6682      0.00000
    109      -1.5377      0.00000
    110      -1.5357      0.00000
    111      -1.5244      0.00000
    112      -1.5100      0.00000
    113      -0.5892      0.00000
    114       0.1329      0.00000
    115       0.2060      0.00000
    116       0.3232      0.00000
    117       0.3253      0.00000
    118       0.3326      0.00000
    119       0.4925      0.00000
    120       0.6098      0.00000
    121       1.2613      0.00000
    122       1.2898      0.00000
    123       1.5444      0.00000
    124       1.7575      0.00000
    125       1.8171      0.00000
    126       1.8206      0.00000
    127       1.8263      0.00000
    128       1.9464      0.00000
    129       1.9931      0.00000
    130       2.0297      0.00000
    131       2.0436      0.00000
    132       2.0489      0.00000
    133       2.0561      0.00000
    134       2.0654      0.00000
    135       2.3185      0.00000
    136       2.3296      0.00000
    137       2.6501      0.00000
    138       2.6582      0.00000
    139       2.6906      0.00000
    140       2.7420      0.00000
    141       2.8879      0.00000
    142       2.9967      0.00000
    143       3.0147      0.00000
    144       3.0418      0.00000
    145       3.0446      0.00000
    146       3.0450      0.00000
    147       3.0874      0.00000
    148       3.2526      0.00000
    149       3.4429      0.00000
    150       3.5590      0.00000
    151       3.7844      0.00000
    152       3.9508      0.00000
    153       3.9692      0.00000
    154       3.9734      0.00000
    155       3.9769      0.00000
    156       4.0097      0.00000
    157       4.1882      0.00000
    158       4.2688      0.00000
    159       4.2939      0.00000
    160       4.2952      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3176      1.00000
      2     -21.7591      1.00000
      3     -21.5686      1.00000
      4     -21.5360      1.00000
      5     -21.2057      1.00000
      6     -21.1611      1.00000
      7     -20.9854      1.00000
      8     -20.0998      1.00000
      9     -20.0560      1.00000
     10     -19.5446      1.00000
     11     -19.5201      1.00000
     12     -19.3475      1.00000
     13     -19.0230      1.00000
     14     -18.9882      1.00000
     15     -18.9799      1.00000
     16     -18.9678      1.00000
     17     -18.2960      1.00000
     18     -18.2769      1.00000
     19     -17.9507      1.00000
     20     -17.0082      1.00000
     21     -16.9586      1.00000
     22     -16.8776      1.00000
     23     -16.8683      1.00000
     24     -16.4040      1.00000
     25     -16.3895      1.00000
     26     -15.5504      1.00000
     27     -15.5347      1.00000
     28     -15.1964      1.00000
     29     -15.1681      1.00000
     30     -15.1135      1.00000
     31     -15.0267      1.00000
     32     -15.0019      1.00000
     33     -14.6352      1.00000
     34     -14.6235      1.00000
     35     -13.6665      1.00000
     36     -13.6512      1.00000
     37     -13.1688      1.00000
     38     -12.5503      1.00000
     39     -12.5175      1.00000
     40     -12.3897      1.00000
     41     -12.3767      1.00000
     42     -12.0566      1.00000
     43     -12.0340      1.00000
     44     -11.6579      1.00000
     45     -11.6163      1.00000
     46     -11.1800      1.00000
     47     -11.1568      1.00000
     48     -10.9636      1.00000
     49     -10.9397      1.00000
     50     -10.8721      1.00000
     51     -10.8365      1.00000
     52     -10.5988      1.00000
     53     -10.0923      1.00000
     54     -10.0877      1.00000
     55     -10.0446      1.00000
     56      -9.9686      1.00000
     57      -9.6529      1.00000
     58      -9.6285      1.00000
     59      -9.5908      1.00000
     60      -9.5285      1.00000
     61      -9.5107      1.00000
     62      -9.4786      1.00000
     63      -9.2625      1.00000
     64      -9.2404      1.00000
     65      -9.2199      1.00000
     66      -9.1659      1.00000
     67      -9.0672      1.00000
     68      -9.0461      1.00000
     69      -9.0407      1.00000
     70      -8.8811      1.00000
     71      -8.8060      1.00000
     72      -8.5742      1.00000
     73      -8.5224      1.00000
     74      -8.4532      1.00000
     75      -8.0352      1.00000
     76      -7.8092      1.00000
     77      -7.8059      1.00000
     78      -7.7920      1.00000
     79      -7.7000      1.00000
     80      -7.6905      1.00000
     81      -7.3684      1.00000
     82      -7.2726      1.00000
     83      -7.2647      1.00000
     84      -7.2171      1.00000
     85      -7.1724      1.00000
     86      -7.0087      1.00000
     87      -6.9476      1.00000
     88      -6.7450      1.00000
     89      -6.6714      1.00000
     90      -6.5941      1.00000
     91      -6.5589      1.00000
     92      -6.0506      1.00000
     93      -6.0460      1.00000
     94      -6.0214      1.00000
     95      -5.9592      1.00000
     96      -5.7360      1.00000
     97      -5.1512      1.00000
     98      -4.9884      1.00000
     99      -4.7178      1.00000
    100      -4.6111      1.00000
    101      -4.4389      1.00000
    102      -4.3734      1.00000
    103      -4.1213      1.00000
    104      -3.8679      1.00000
    105      -3.8269      1.00000
    106      -3.7903      1.00000
    107      -1.7857      0.00000
    108      -1.7395      0.00000
    109      -1.3956      0.00000
    110      -1.3467      0.00000
    111      -1.2659      0.00000
    112      -1.2269      0.00000
    113      -0.7471      0.00000
    114      -0.3813      0.00000
    115      -0.2214      0.00000
    116      -0.0214      0.00000
    117       0.5978      0.00000
    118       0.7405      0.00000
    119       0.7646      0.00000
    120       1.0497      0.00000
    121       1.1405      0.00000
    122       1.2509      0.00000
    123       1.2803      0.00000
    124       1.4245      0.00000
    125       1.4923      0.00000
    126       1.6042      0.00000
    127       1.7471      0.00000
    128       1.8406      0.00000
    129       1.8932      0.00000
    130       1.9620      0.00000
    131       2.1001      0.00000
    132       2.2563      0.00000
    133       2.2645      0.00000
    134       2.3242      0.00000
    135       2.5023      0.00000
    136       2.5941      0.00000
    137       2.6527      0.00000
    138       2.7849      0.00000
    139       2.7969      0.00000
    140       2.8169      0.00000
    141       2.8705      0.00000
    142       2.8856      0.00000
    143       2.9422      0.00000
    144       3.1187      0.00000
    145       3.2962      0.00000
    146       3.3114      0.00000
    147       3.3469      0.00000
    148       3.3716      0.00000
    149       3.4791      0.00000
    150       3.5764      0.00000
    151       3.6272      0.00000
    152       3.6837      0.00000
    153       3.7188      0.00000
    154       3.9259      0.00000
    155       3.9406      0.00000
    156       3.9952      0.00000
    157       4.0859      0.00000
    158       4.2171      0.00000
    159       4.2649      0.00000
    160       4.3052      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2119      1.00000
      2     -22.0059      1.00000
      3     -21.6472      1.00000
      4     -21.6103      1.00000
      5     -20.9110      1.00000
      6     -20.8649      1.00000
      7     -20.5438      1.00000
      8     -20.5046      1.00000
      9     -20.4943      1.00000
     10     -19.9619      1.00000
     11     -19.4407      1.00000
     12     -19.4139      1.00000
     13     -19.2402      1.00000
     14     -19.2258      1.00000
     15     -18.3825      1.00000
     16     -18.3386      1.00000
     17     -17.8587      1.00000
     18     -17.8380      1.00000
     19     -17.6965      1.00000
     20     -17.6542      1.00000
     21     -17.3710      1.00000
     22     -17.3552      1.00000
     23     -17.2734      1.00000
     24     -16.4005      1.00000
     25     -16.3858      1.00000
     26     -15.8951      1.00000
     27     -15.3514      1.00000
     28     -15.3361      1.00000
     29     -15.0337      1.00000
     30     -15.0199      1.00000
     31     -14.7987      1.00000
     32     -14.7742      1.00000
     33     -14.2211      1.00000
     34     -14.1892      1.00000
     35     -13.3702      1.00000
     36     -13.3368      1.00000
     37     -13.1191      1.00000
     38     -13.1018      1.00000
     39     -12.9147      1.00000
     40     -12.9014      1.00000
     41     -12.5561      1.00000
     42     -12.5383      1.00000
     43     -12.1325      1.00000
     44     -11.5205      1.00000
     45     -11.4732      1.00000
     46     -11.2524      1.00000
     47     -11.2191      1.00000
     48     -11.0789      1.00000
     49     -10.6561      1.00000
     50     -10.5888      1.00000
     51     -10.5209      1.00000
     52     -10.2568      1.00000
     53     -10.2485      1.00000
     54     -10.1211      1.00000
     55     -10.0485      1.00000
     56     -10.0411      1.00000
     57      -9.7672      1.00000
     58      -9.7042      1.00000
     59      -9.6795      1.00000
     60      -9.6303      1.00000
     61      -9.6257      1.00000
     62      -9.5866      1.00000
     63      -9.2937      1.00000
     64      -9.2847      1.00000
     65      -9.2528      1.00000
     66      -9.0829      1.00000
     67      -8.8965      1.00000
     68      -8.8828      1.00000
     69      -8.7236      1.00000
     70      -8.5855      1.00000
     71      -8.5139      1.00000
     72      -8.3297      1.00000
     73      -8.3015      1.00000
     74      -8.2640      1.00000
     75      -8.2327      1.00000
     76      -8.1951      1.00000
     77      -8.1864      1.00000
     78      -8.1707      1.00000
     79      -8.0945      1.00000
     80      -7.6871      1.00000
     81      -7.3605      1.00000
     82      -7.3109      1.00000
     83      -7.2658      1.00000
     84      -7.1872      1.00000
     85      -7.1262      1.00000
     86      -7.0763      1.00000
     87      -6.9064      1.00000
     88      -6.8821      1.00000
     89      -6.5497      1.00000
     90      -6.4929      1.00000
     91      -6.2101      1.00000
     92      -6.0680      1.00000
     93      -5.9406      1.00000
     94      -5.7130      1.00000
     95      -5.6325      1.00000
     96      -5.4517      1.00000
     97      -5.3041      1.00000
     98      -5.2338      1.00000
     99      -5.1520      1.00000
    100      -5.1515      1.00000
    101      -4.5193      1.00000
    102      -4.4703      1.00000
    103      -4.1406      1.00000
    104      -3.8300      1.00000
    105      -3.7569      1.00000
    106      -3.6804      1.00000
    107      -1.8714      0.00000
    108      -1.8249      0.00000
    109      -1.2784      0.00000
    110      -1.0368      0.00000
    111      -1.0128      0.00000
    112      -0.7140      0.00000
    113      -0.6408      0.00000
    114      -0.5894      0.00000
    115      -0.5473      0.00000
    116      -0.2065      0.00000
    117       0.2509      0.00000
    118       0.2772      0.00000
    119       0.7715      0.00000
    120       0.9523      0.00000
    121       1.1362      0.00000
    122       1.2326      0.00000
    123       1.3244      0.00000
    124       1.4189      0.00000
    125       1.6135      0.00000
    126       1.6348      0.00000
    127       1.7271      0.00000
    128       1.8189      0.00000
    129       1.9387      0.00000
    130       2.0392      0.00000
    131       2.0710      0.00000
    132       2.2867      0.00000
    133       2.3999      0.00000
    134       2.4545      0.00000
    135       2.5586      0.00000
    136       2.6478      0.00000
    137       2.7122      0.00000
    138       2.7837      0.00000
    139       2.8495      0.00000
    140       2.8978      0.00000
    141       3.0567      0.00000
    142       3.1068      0.00000
    143       3.2105      0.00000
    144       3.2543      0.00000
    145       3.3987      0.00000
    146       3.4335      0.00000
    147       3.5070      0.00000
    148       3.5906      0.00000
    149       3.6156      0.00000
    150       3.6333      0.00000
    151       3.6555      0.00000
    152       3.7422      0.00000
    153       3.7568      0.00000
    154       3.7679      0.00000
    155       3.8081      0.00000
    156       3.9041      0.00000
    157       3.9951      0.00000
    158       4.0204      0.00000
    159       4.1945      0.00000
    160       4.2250      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2457      1.00000
      2     -21.8915      1.00000
      3     -21.8212      1.00000
      4     -21.3097      1.00000
      5     -21.2796      1.00000
      6     -20.7685      1.00000
      7     -20.7028      1.00000
      8     -20.5543      1.00000
      9     -20.0072      1.00000
     10     -19.9996      1.00000
     11     -19.6462      1.00000
     12     -19.6220      1.00000
     13     -18.9280      1.00000
     14     -18.9194      1.00000
     15     -18.5693      1.00000
     16     -18.5553      1.00000
     17     -18.3923      1.00000
     18     -17.6132      1.00000
     19     -17.5574      1.00000
     20     -17.5523      1.00000
     21     -17.5108      1.00000
     22     -17.0548      1.00000
     23     -17.0370      1.00000
     24     -16.8910      1.00000
     25     -15.9292      1.00000
     26     -15.8657      1.00000
     27     -15.5149      1.00000
     28     -15.5143      1.00000
     29     -15.2272      1.00000
     30     -14.7936      1.00000
     31     -14.7662      1.00000
     32     -14.5140      1.00000
     33     -14.4702      1.00000
     34     -14.1009      1.00000
     35     -14.0899      1.00000
     36     -13.0760      1.00000
     37     -13.0312      1.00000
     38     -12.9656      1.00000
     39     -12.9539      1.00000
     40     -12.6444      1.00000
     41     -12.6376      1.00000
     42     -12.2728      1.00000
     43     -12.2416      1.00000
     44     -11.5863      1.00000
     45     -11.5604      1.00000
     46     -11.5054      1.00000
     47     -10.9025      1.00000
     48     -10.8502      1.00000
     49     -10.6176      1.00000
     50     -10.5587      1.00000
     51     -10.4839      1.00000
     52     -10.4331      1.00000
     53     -10.4230      1.00000
     54     -10.3709      1.00000
     55     -10.2925      1.00000
     56     -10.0627      1.00000
     57      -9.8318      1.00000
     58      -9.5469      1.00000
     59      -9.4874      1.00000
     60      -9.4668      1.00000
     61      -9.3458      1.00000
     62      -9.3301      1.00000
     63      -9.3096      1.00000
     64      -9.3076      1.00000
     65      -9.2129      1.00000
     66      -9.1114      1.00000
     67      -9.0806      1.00000
     68      -9.0494      1.00000
     69      -8.8443      1.00000
     70      -8.7926      1.00000
     71      -8.7733      1.00000
     72      -8.5259      1.00000
     73      -8.4726      1.00000
     74      -8.2169      1.00000
     75      -8.1090      1.00000
     76      -8.0993      1.00000
     77      -7.8057      1.00000
     78      -7.7826      1.00000
     79      -7.7814      1.00000
     80      -7.6718      1.00000
     81      -7.6317      1.00000
     82      -7.6299      1.00000
     83      -7.4033      1.00000
     84      -7.3237      1.00000
     85      -7.2062      1.00000
     86      -6.8397      1.00000
     87      -6.8295      1.00000
     88      -6.6589      1.00000
     89      -6.5381      1.00000
     90      -6.3442      1.00000
     91      -6.3066      1.00000
     92      -6.1840      1.00000
     93      -6.1475      1.00000
     94      -5.9773      1.00000
     95      -5.5716      1.00000
     96      -5.4254      1.00000
     97      -5.2585      1.00000
     98      -5.2453      1.00000
     99      -5.1486      1.00000
    100      -4.6952      1.00000
    101      -4.6653      1.00000
    102      -4.3496      1.00000
    103      -4.3122      1.00000
    104      -3.9632      1.00000
    105      -3.8224      1.00000
    106      -3.3909      1.00000
    107      -2.2206      0.00000
    108      -1.3771      0.00000
    109      -1.2877      0.00000
    110      -1.1744      0.00000
    111      -1.0790      0.00000
    112      -0.8946      0.00000
    113      -0.7694      0.00000
    114      -0.7584      0.00000
    115      -0.2228      0.00000
    116       0.1122      0.00000
    117       0.2623      0.00000
    118       0.3444      0.00000
    119       0.7459      0.00000
    120       0.9048      0.00000
    121       0.9727      0.00000
    122       1.1011      0.00000
    123       1.2177      0.00000
    124       1.5389      0.00000
    125       1.5914      0.00000
    126       1.7234      0.00000
    127       1.8382      0.00000
    128       1.8616      0.00000
    129       1.9491      0.00000
    130       2.0328      0.00000
    131       2.1498      0.00000
    132       2.2981      0.00000
    133       2.4115      0.00000
    134       2.4701      0.00000
    135       2.4820      0.00000
    136       2.6655      0.00000
    137       2.6875      0.00000
    138       2.7505      0.00000
    139       2.7593      0.00000
    140       2.9100      0.00000
    141       3.0402      0.00000
    142       3.1000      0.00000
    143       3.1710      0.00000
    144       3.2151      0.00000
    145       3.2622      0.00000
    146       3.2850      0.00000
    147       3.3763      0.00000
    148       3.4954      0.00000
    149       3.5553      0.00000
    150       3.7144      0.00000
    151       3.7645      0.00000
    152       3.7700      0.00000
    153       3.8325      0.00000
    154       3.9005      0.00000
    155       3.9661      0.00000
    156       3.9798      0.00000
    157       4.0045      0.00000
    158       4.0436      0.00000
    159       4.0443      0.00000
    160       4.0877      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1394      1.00000
      2     -22.0450      1.00000
      3     -21.8847      1.00000
      4     -21.3327      1.00000
      5     -20.9798      1.00000
      6     -20.9415      1.00000
      7     -20.4314      1.00000
      8     -20.3891      1.00000
      9     -20.2248      1.00000
     10     -20.2036      1.00000
     11     -19.8872      1.00000
     12     -19.8202      1.00000
     13     -18.8132      1.00000
     14     -18.7427      1.00000
     15     -18.2882      1.00000
     16     -18.2353      1.00000
     17     -18.0845      1.00000
     18     -18.0648      1.00000
     19     -17.7601      1.00000
     20     -17.7181      1.00000
     21     -17.1877      1.00000
     22     -17.1694      1.00000
     23     -17.0988      1.00000
     24     -17.0630      1.00000
     25     -16.0364      1.00000
     26     -15.8215      1.00000
     27     -15.7985      1.00000
     28     -15.7639      1.00000
     29     -15.1730      1.00000
     30     -14.4901      1.00000
     31     -14.4577      1.00000
     32     -14.2172      1.00000
     33     -13.8942      1.00000
     34     -13.8895      1.00000
     35     -13.7553      1.00000
     36     -13.7356      1.00000
     37     -13.5507      1.00000
     38     -13.5026      1.00000
     39     -13.2983      1.00000
     40     -12.5630      1.00000
     41     -12.1242      1.00000
     42     -12.0658      1.00000
     43     -12.0085      1.00000
     44     -11.9507      1.00000
     45     -11.6100      1.00000
     46     -11.5877      1.00000
     47     -11.0843      1.00000
     48     -11.0519      1.00000
     49     -10.7509      1.00000
     50     -10.6636      1.00000
     51     -10.5216      1.00000
     52     -10.1476      1.00000
     53     -10.1378      1.00000
     54     -10.0949      1.00000
     55      -9.9524      1.00000
     56      -9.9464      1.00000
     57      -9.9165      1.00000
     58      -9.7372      1.00000
     59      -9.7303      1.00000
     60      -9.7007      1.00000
     61      -9.6908      1.00000
     62      -9.4261      1.00000
     63      -9.3622      1.00000
     64      -9.0826      1.00000
     65      -9.0060      1.00000
     66      -8.9744      1.00000
     67      -8.8878      1.00000
     68      -8.8103      1.00000
     69      -8.6568      1.00000
     70      -8.6345      1.00000
     71      -8.5747      1.00000
     72      -8.4781      1.00000
     73      -8.4669      1.00000
     74      -8.3975      1.00000
     75      -8.3941      1.00000
     76      -8.1828      1.00000
     77      -8.1108      1.00000
     78      -7.9765      1.00000
     79      -7.9117      1.00000
     80      -7.8467      1.00000
     81      -7.6148      1.00000
     82      -7.5297      1.00000
     83      -7.4694      1.00000
     84      -7.2660      1.00000
     85      -6.9345      1.00000
     86      -6.8582      1.00000
     87      -6.8117      1.00000
     88      -6.5717      1.00000
     89      -6.4667      1.00000
     90      -6.4211      1.00000
     91      -6.3565      1.00000
     92      -6.0500      1.00000
     93      -5.8764      1.00000
     94      -5.7524      1.00000
     95      -5.7213      1.00000
     96      -5.4754      1.00000
     97      -5.3451      1.00000
     98      -5.1799      1.00000
     99      -5.1559      1.00000
    100      -5.1546      1.00000
    101      -4.7064      1.00000
    102      -4.4409      1.00000
    103      -4.2527      1.00000
    104      -3.9943      1.00000
    105      -3.8213      1.00000
    106      -3.1572      1.00000
    107      -2.4638      0.00000
    108      -1.3797      0.00000
    109      -1.2417      0.00000
    110      -1.1471      0.00000
    111      -1.1156      0.00000
    112      -0.5658      0.00000
    113      -0.4361      0.00000
    114      -0.4314      0.00000
    115      -0.3113      0.00000
    116      -0.1920      0.00000
    117       0.0605      0.00000
    118       0.1146      0.00000
    119       0.5393      0.00000
    120       0.6827      0.00000
    121       0.8819      0.00000
    122       0.9802      0.00000
    123       1.1218      0.00000
    124       1.5058      0.00000
    125       1.6788      0.00000
    126       1.8412      0.00000
    127       1.8964      0.00000
    128       2.0916      0.00000
    129       2.1203      0.00000
    130       2.1700      0.00000
    131       2.2201      0.00000
    132       2.3312      0.00000
    133       2.3396      0.00000
    134       2.4835      0.00000
    135       2.5652      0.00000
    136       2.6888      0.00000
    137       2.8901      0.00000
    138       2.9369      0.00000
    139       2.9798      0.00000
    140       3.0125      0.00000
    141       3.0592      0.00000
    142       3.1426      0.00000
    143       3.1683      0.00000
    144       3.2611      0.00000
    145       3.3051      0.00000
    146       3.3433      0.00000
    147       3.3535      0.00000
    148       3.3894      0.00000
    149       3.4253      0.00000
    150       3.5130      0.00000
    151       3.5640      0.00000
    152       3.6290      0.00000
    153       3.6578      0.00000
    154       3.7036      0.00000
    155       3.7278      0.00000
    156       3.9342      0.00000
    157       3.9512      0.00000
    158       4.0772      0.00000
    159       4.1189      0.00000
    160       4.2292      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2455      1.00000
      2     -21.8929      1.00000
      3     -21.8198      1.00000
      4     -21.3142      1.00000
      5     -21.2756      1.00000
      6     -20.7695      1.00000
      7     -20.7010      1.00000
      8     -20.5528      1.00000
      9     -20.0209      1.00000
     10     -19.9889      1.00000
     11     -19.6487      1.00000
     12     -19.6178      1.00000
     13     -18.9417      1.00000
     14     -18.9073      1.00000
     15     -18.5824      1.00000
     16     -18.5453      1.00000
     17     -18.3908      1.00000
     18     -17.6005      1.00000
     19     -17.5697      1.00000
     20     -17.5403      1.00000
     21     -17.5077      1.00000
     22     -17.0731      1.00000
     23     -17.0266      1.00000
     24     -16.8992      1.00000
     25     -15.9446      1.00000
     26     -15.8497      1.00000
     27     -15.5318      1.00000
     28     -15.5055      1.00000
     29     -15.2086      1.00000
     30     -14.8125      1.00000
     31     -14.7605      1.00000
     32     -14.5087      1.00000
     33     -14.4674      1.00000
     34     -14.0951      1.00000
     35     -14.0922      1.00000
     36     -13.1038      1.00000
     37     -13.0283      1.00000
     38     -12.9562      1.00000
     39     -12.9491      1.00000
     40     -12.6550      1.00000
     41     -12.6269      1.00000
     42     -12.2727      1.00000
     43     -12.2458      1.00000
     44     -11.5722      1.00000
     45     -11.5531      1.00000
     46     -11.4996      1.00000
     47     -10.8768      1.00000
     48     -10.8671      1.00000
     49     -10.6776      1.00000
     50     -10.5251      1.00000
     51     -10.5191      1.00000
     52     -10.4326      1.00000
     53     -10.4153      1.00000
     54     -10.3698      1.00000
     55     -10.2874      1.00000
     56     -10.0581      1.00000
     57      -9.8307      1.00000
     58      -9.5574      1.00000
     59      -9.4844      1.00000
     60      -9.4417      1.00000
     61      -9.3545      1.00000
     62      -9.3388      1.00000
     63      -9.3076      1.00000
     64      -9.3019      1.00000
     65      -9.2047      1.00000
     66      -9.0991      1.00000
     67      -9.0683      1.00000
     68      -9.0487      1.00000
     69      -8.8468      1.00000
     70      -8.7959      1.00000
     71      -8.7770      1.00000
     72      -8.5256      1.00000
     73      -8.4936      1.00000
     74      -8.2217      1.00000
     75      -8.1288      1.00000
     76      -8.0925      1.00000
     77      -7.8060      1.00000
     78      -7.7676      1.00000
     79      -7.7393      1.00000
     80      -7.7002      1.00000
     81      -7.6357      1.00000
     82      -7.6248      1.00000
     83      -7.3889      1.00000
     84      -7.3444      1.00000
     85      -7.2249      1.00000
     86      -6.8437      1.00000
     87      -6.8209      1.00000
     88      -6.6374      1.00000
     89      -6.5288      1.00000
     90      -6.3420      1.00000
     91      -6.2721      1.00000
     92      -6.1946      1.00000
     93      -6.1321      1.00000
     94      -6.0197      1.00000
     95      -5.6339      1.00000
     96      -5.5080      1.00000
     97      -5.2975      1.00000
     98      -5.1561      1.00000
     99      -5.0394      1.00000
    100      -4.7248      1.00000
    101      -4.6855      1.00000
    102      -4.3680      1.00000
    103      -4.1830      1.00000
    104      -4.0073      1.00000
    105      -3.8208      1.00000
    106      -3.4845      1.00000
    107      -2.1656      0.00000
    108      -1.3841      0.00000
    109      -1.2364      0.00000
    110      -1.1864      0.00000
    111      -1.0150      0.00000
    112      -0.9566      0.00000
    113      -0.7984      0.00000
    114      -0.7534      0.00000
    115      -0.3692      0.00000
    116       0.2443      0.00000
    117       0.2753      0.00000
    118       0.3624      0.00000
    119       0.7118      0.00000
    120       0.8689      0.00000
    121       0.9646      0.00000
    122       1.1344      0.00000
    123       1.2480      0.00000
    124       1.4620      0.00000
    125       1.5871      0.00000
    126       1.7852      0.00000
    127       1.8466      0.00000
    128       1.8727      0.00000
    129       2.0040      0.00000
    130       2.0442      0.00000
    131       2.1838      0.00000
    132       2.2371      0.00000
    133       2.4056      0.00000
    134       2.4254      0.00000
    135       2.5099      0.00000
    136       2.6592      0.00000
    137       2.6837      0.00000
    138       2.7447      0.00000
    139       2.7866      0.00000
    140       2.8783      0.00000
    141       2.9904      0.00000
    142       3.0980      0.00000
    143       3.1598      0.00000
    144       3.2117      0.00000
    145       3.2678      0.00000
    146       3.3039      0.00000
    147       3.3478      0.00000
    148       3.4961      0.00000
    149       3.5384      0.00000
    150       3.7200      0.00000
    151       3.7396      0.00000
    152       3.7705      0.00000
    153       3.8675      0.00000
    154       3.8818      0.00000
    155       3.9089      0.00000
    156       3.9726      0.00000
    157       4.0116      0.00000
    158       4.0478      0.00000
    159       4.0513      0.00000
    160       4.0947      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3175      1.00000
      2     -21.7594      1.00000
      3     -21.5658      1.00000
      4     -21.5389      1.00000
      5     -21.2029      1.00000
      6     -21.1645      1.00000
      7     -20.9841      1.00000
      8     -20.0968      1.00000
      9     -20.0584      1.00000
     10     -19.5446      1.00000
     11     -19.5245      1.00000
     12     -19.3435      1.00000
     13     -19.0264      1.00000
     14     -18.9868      1.00000
     15     -18.9761      1.00000
     16     -18.9706      1.00000
     17     -18.2946      1.00000
     18     -18.2812      1.00000
     19     -17.9454      1.00000
     20     -16.9993      1.00000
     21     -16.9590      1.00000
     22     -16.8818      1.00000
     23     -16.8690      1.00000
     24     -16.4149      1.00000
     25     -16.3924      1.00000
     26     -15.5395      1.00000
     27     -15.5362      1.00000
     28     -15.1721      1.00000
     29     -15.1705      1.00000
     30     -15.1298      1.00000
     31     -15.0354      1.00000
     32     -15.0002      1.00000
     33     -14.6323      1.00000
     34     -14.6255      1.00000
     35     -13.6618      1.00000
     36     -13.6522      1.00000
     37     -13.1705      1.00000
     38     -12.5721      1.00000
     39     -12.5129      1.00000
     40     -12.3846      1.00000
     41     -12.3841      1.00000
     42     -12.0350      1.00000
     43     -12.0312      1.00000
     44     -11.6535      1.00000
     45     -11.6135      1.00000
     46     -11.2051      1.00000
     47     -11.1567      1.00000
     48     -10.9542      1.00000
     49     -10.9417      1.00000
     50     -10.8594      1.00000
     51     -10.8273      1.00000
     52     -10.6204      1.00000
     53     -10.1446      1.00000
     54     -10.0837      1.00000
     55     -10.0248      1.00000
     56      -9.9437      1.00000
     57      -9.6301      1.00000
     58      -9.6290      1.00000
     59      -9.6021      1.00000
     60      -9.5397      1.00000
     61      -9.5032      1.00000
     62      -9.4783      1.00000
     63      -9.2705      1.00000
     64      -9.2352      1.00000
     65      -9.2063      1.00000
     66      -9.1786      1.00000
     67      -9.0613      1.00000
     68      -9.0467      1.00000
     69      -9.0433      1.00000
     70      -8.8757      1.00000
     71      -8.8079      1.00000
     72      -8.5327      1.00000
     73      -8.5320      1.00000
     74      -8.4937      1.00000
     75      -8.0314      1.00000
     76      -7.8316      1.00000
     77      -7.7965      1.00000
     78      -7.7735      1.00000
     79      -7.7034      1.00000
     80      -7.6846      1.00000
     81      -7.4189      1.00000
     82      -7.2874      1.00000
     83      -7.2517      1.00000
     84      -7.2020      1.00000
     85      -7.0801      1.00000
     86      -7.0783      1.00000
     87      -6.9384      1.00000
     88      -6.7094      1.00000
     89      -6.6732      1.00000
     90      -6.6289      1.00000
     91      -6.5572      1.00000
     92      -6.0716      1.00000
     93      -6.0311      1.00000
     94      -6.0009      1.00000
     95      -5.9377      1.00000
     96      -5.7987      1.00000
     97      -5.1779      1.00000
     98      -4.8930      1.00000
     99      -4.7928      1.00000
    100      -4.6113      1.00000
    101      -4.5126      1.00000
    102      -4.1392      1.00000
    103      -4.0904      1.00000
    104      -3.9308      1.00000
    105      -3.9159      1.00000
    106      -3.8202      1.00000
    107      -1.7530      0.00000
    108      -1.6974      0.00000
    109      -1.4111      0.00000
    110      -1.3716      0.00000
    111      -1.2656      0.00000
    112      -1.2367      0.00000
    113      -0.6268      0.00000
    114      -0.5995      0.00000
    115      -0.1908      0.00000
    116       0.0393      0.00000
    117       0.5942      0.00000
    118       0.7427      0.00000
    119       0.8476      0.00000
    120       0.9296      0.00000
    121       1.1659      0.00000
    122       1.2160      0.00000
    123       1.2498      0.00000
    124       1.4409      0.00000
    125       1.6039      0.00000
    126       1.6546      0.00000
    127       1.7192      0.00000
    128       1.7849      0.00000
    129       1.9173      0.00000
    130       1.9380      0.00000
    131       2.1524      0.00000
    132       2.1896      0.00000
    133       2.2682      0.00000
    134       2.3271      0.00000
    135       2.5625      0.00000
    136       2.5934      0.00000
    137       2.6017      0.00000
    138       2.7704      0.00000
    139       2.8016      0.00000
    140       2.8057      0.00000
    141       2.8926      0.00000
    142       2.9196      0.00000
    143       3.0335      0.00000
    144       3.0560      0.00000
    145       3.1235      0.00000
    146       3.3135      0.00000
    147       3.3272      0.00000
    148       3.3900      0.00000
    149       3.4909      0.00000
    150       3.5899      0.00000
    151       3.6593      0.00000
    152       3.6676      0.00000
    153       3.6860      0.00000
    154       3.9115      0.00000
    155       3.9851      0.00000
    156       4.0241      0.00000
    157       4.0940      0.00000
    158       4.2581      0.00000
    159       4.2659      0.00000
    160       4.2754      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1385      1.00000
      2     -22.0463      1.00000
      3     -21.8842      1.00000
      4     -21.3336      1.00000
      5     -20.9749      1.00000
      6     -20.9456      1.00000
      7     -20.4262      1.00000
      8     -20.3944      1.00000
      9     -20.2147      1.00000
     10     -20.2126      1.00000
     11     -19.8861      1.00000
     12     -19.8225      1.00000
     13     -18.8160      1.00000
     14     -18.7456      1.00000
     15     -18.2647      1.00000
     16     -18.2504      1.00000
     17     -18.0793      1.00000
     18     -18.0724      1.00000
     19     -17.7449      1.00000
     20     -17.7291      1.00000
     21     -17.1939      1.00000
     22     -17.1706      1.00000
     23     -17.0885      1.00000
     24     -17.0669      1.00000
     25     -16.0524      1.00000
     26     -15.8071      1.00000
     27     -15.7976      1.00000
     28     -15.7767      1.00000
     29     -15.1590      1.00000
     30     -14.4844      1.00000
     31     -14.4633      1.00000
     32     -14.2041      1.00000
     33     -13.9156      1.00000
     34     -13.8862      1.00000
     35     -13.7586      1.00000
     36     -13.7385      1.00000
     37     -13.5357      1.00000
     38     -13.5097      1.00000
     39     -13.2998      1.00000
     40     -12.5751      1.00000
     41     -12.1008      1.00000
     42     -12.0765      1.00000
     43     -11.9973      1.00000
     44     -11.9498      1.00000
     45     -11.6053      1.00000
     46     -11.5979      1.00000
     47     -11.0836      1.00000
     48     -11.0605      1.00000
     49     -10.7304      1.00000
     50     -10.6637      1.00000
     51     -10.5534      1.00000
     52     -10.1393      1.00000
     53     -10.1348      1.00000
     54     -10.0994      1.00000
     55      -9.9654      1.00000
     56      -9.9251      1.00000
     57      -9.9205      1.00000
     58      -9.7504      1.00000
     59      -9.7289      1.00000
     60      -9.6973      1.00000
     61      -9.6945      1.00000
     62      -9.3977      1.00000
     63      -9.3881      1.00000
     64      -9.0659      1.00000
     65      -8.9813      1.00000
     66      -8.9813      1.00000
     67      -8.9056      1.00000
     68      -8.8112      1.00000
     69      -8.6492      1.00000
     70      -8.6338      1.00000
     71      -8.5433      1.00000
     72      -8.5011      1.00000
     73      -8.4823      1.00000
     74      -8.3941      1.00000
     75      -8.3826      1.00000
     76      -8.2082      1.00000
     77      -8.0991      1.00000
     78      -8.0059      1.00000
     79      -7.8997      1.00000
     80      -7.8420      1.00000
     81      -7.6205      1.00000
     82      -7.5322      1.00000
     83      -7.4573      1.00000
     84      -7.2618      1.00000
     85      -6.9429      1.00000
     86      -6.8695      1.00000
     87      -6.8107      1.00000
     88      -6.4777      1.00000
     89      -6.4687      1.00000
     90      -6.4097      1.00000
     91      -6.3591      1.00000
     92      -6.1850      1.00000
     93      -5.8577      1.00000
     94      -5.7376      1.00000
     95      -5.7110      1.00000
     96      -5.5215      1.00000
     97      -5.3289      1.00000
     98      -5.1725      1.00000
     99      -5.1675      1.00000
    100      -5.1339      1.00000
    101      -4.6959      1.00000
    102      -4.3489      1.00000
    103      -4.2765      1.00000
    104      -4.0270      1.00000
    105      -3.8222      1.00000
    106      -3.2334      1.00000
    107      -2.4066      0.00000
    108      -1.3461      0.00000
    109      -1.2443      0.00000
    110      -1.1548      0.00000
    111      -1.1094      0.00000
    112      -0.5849      0.00000
    113      -0.5223      0.00000
    114      -0.4352      0.00000
    115      -0.2757      0.00000
    116      -0.0735      0.00000
    117      -0.0128      0.00000
    118       0.0584      0.00000
    119       0.5829      0.00000
    120       0.7090      0.00000
    121       0.8199      0.00000
    122       0.9549      0.00000
    123       1.1952      0.00000
    124       1.5323      0.00000
    125       1.6311      0.00000
    126       1.8879      0.00000
    127       2.0251      0.00000
    128       2.0618      0.00000
    129       2.0976      0.00000
    130       2.1402      0.00000
    131       2.2319      0.00000
    132       2.2858      0.00000
    133       2.3383      0.00000
    134       2.4298      0.00000
    135       2.6118      0.00000
    136       2.7160      0.00000
    137       2.8491      0.00000
    138       2.9133      0.00000
    139       2.9443      0.00000
    140       3.0308      0.00000
    141       3.0644      0.00000
    142       3.1310      0.00000
    143       3.1766      0.00000
    144       3.2359      0.00000
    145       3.3089      0.00000
    146       3.3228      0.00000
    147       3.3626      0.00000
    148       3.3811      0.00000
    149       3.4375      0.00000
    150       3.4591      0.00000
    151       3.5689      0.00000
    152       3.6152      0.00000
    153       3.6610      0.00000
    154       3.7028      0.00000
    155       3.8720      0.00000
    156       3.9187      0.00000
    157       3.9471      0.00000
    158       3.9711      0.00000
    159       4.1826      0.00000
    160       4.2084      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2115      1.00000
      2     -22.0065      1.00000
      3     -21.6444      1.00000
      4     -21.6135      1.00000
      5     -20.9080      1.00000
      6     -20.8678      1.00000
      7     -20.5375      1.00000
      8     -20.5052      1.00000
      9     -20.4985      1.00000
     10     -19.9611      1.00000
     11     -19.4394      1.00000
     12     -19.4175      1.00000
     13     -19.2386      1.00000
     14     -19.2315      1.00000
     15     -18.3749      1.00000
     16     -18.3402      1.00000
     17     -17.8578      1.00000
     18     -17.8418      1.00000
     19     -17.6902      1.00000
     20     -17.6548      1.00000
     21     -17.3714      1.00000
     22     -17.3572      1.00000
     23     -17.2670      1.00000
     24     -16.4123      1.00000
     25     -16.3891      1.00000
     26     -15.9035      1.00000
     27     -15.3424      1.00000
     28     -15.3376      1.00000
     29     -15.0300      1.00000
     30     -15.0205      1.00000
     31     -14.7762      1.00000
     32     -14.7740      1.00000
     33     -14.2369      1.00000
     34     -14.1866      1.00000
     35     -13.3870      1.00000
     36     -13.3332      1.00000
     37     -13.1105      1.00000
     38     -13.1026      1.00000
     39     -12.9165      1.00000
     40     -12.9109      1.00000
     41     -12.5450      1.00000
     42     -12.5375      1.00000
     43     -12.1333      1.00000
     44     -11.5125      1.00000
     45     -11.4684      1.00000
     46     -11.2436      1.00000
     47     -11.2123      1.00000
     48     -11.0861      1.00000
     49     -10.7015      1.00000
     50     -10.5952      1.00000
     51     -10.5071      1.00000
     52     -10.2513      1.00000
     53     -10.2471      1.00000
     54     -10.1200      1.00000
     55     -10.0537      1.00000
     56     -10.0388      1.00000
     57      -9.7826      1.00000
     58      -9.6868      1.00000
     59      -9.6730      1.00000
     60      -9.6375      1.00000
     61      -9.6279      1.00000
     62      -9.5848      1.00000
     63      -9.2951      1.00000
     64      -9.2835      1.00000
     65      -9.2522      1.00000
     66      -9.0597      1.00000
     67      -8.8948      1.00000
     68      -8.8837      1.00000
     69      -8.7177      1.00000
     70      -8.5771      1.00000
     71      -8.5255      1.00000
     72      -8.3493      1.00000
     73      -8.3042      1.00000
     74      -8.2433      1.00000
     75      -8.2381      1.00000
     76      -8.1946      1.00000
     77      -8.1821      1.00000
     78      -8.1693      1.00000
     79      -8.1012      1.00000
     80      -7.6881      1.00000
     81      -7.4239      1.00000
     82      -7.3431      1.00000
     83      -7.2598      1.00000
     84      -7.1693      1.00000
     85      -7.1094      1.00000
     86      -7.0055      1.00000
     87      -6.9031      1.00000
     88      -6.8485      1.00000
     89      -6.5422      1.00000
     90      -6.4992      1.00000
     91      -6.2075      1.00000
     92      -6.2019      1.00000
     93      -5.8946      1.00000
     94      -5.6727      1.00000
     95      -5.6058      1.00000
     96      -5.5800      1.00000
     97      -5.2535      1.00000
     98      -5.2312      1.00000
     99      -5.1649      1.00000
    100      -5.1346      1.00000
    101      -4.5996      1.00000
    102      -4.2468      1.00000
    103      -4.0435      1.00000
    104      -3.8847      1.00000
    105      -3.8367      1.00000
    106      -3.7988      1.00000
    107      -1.8092      0.00000
    108      -1.7822      0.00000
    109      -1.2263      0.00000
    110      -1.1759      0.00000
    111      -0.9749      0.00000
    112      -0.7357      0.00000
    113      -0.6509      0.00000
    114      -0.5949      0.00000
    115      -0.5507      0.00000
    116      -0.1569      0.00000
    117       0.1750      0.00000
    118       0.2866      0.00000
    119       0.7169      0.00000
    120       0.9597      0.00000
    121       1.1705      0.00000
    122       1.2761      0.00000
    123       1.3572      0.00000
    124       1.5262      0.00000
    125       1.6176      0.00000
    126       1.6379      0.00000
    127       1.6953      0.00000
    128       1.7819      0.00000
    129       1.8789      0.00000
    130       2.0452      0.00000
    131       2.1708      0.00000
    132       2.2873      0.00000
    133       2.4211      0.00000
    134       2.4243      0.00000
    135       2.5779      0.00000
    136       2.6415      0.00000
    137       2.6961      0.00000
    138       2.7036      0.00000
    139       2.7809      0.00000
    140       2.9182      0.00000
    141       3.0660      0.00000
    142       3.0751      0.00000
    143       3.2064      0.00000
    144       3.2932      0.00000
    145       3.4077      0.00000
    146       3.4247      0.00000
    147       3.4676      0.00000
    148       3.5552      0.00000
    149       3.5964      0.00000
    150       3.6424      0.00000
    151       3.6770      0.00000
    152       3.7003      0.00000
    153       3.7611      0.00000
    154       3.7656      0.00000
    155       3.8442      0.00000
    156       3.9168      0.00000
    157       3.9177      0.00000
    158       3.9827      0.00000
    159       4.2041      0.00000
    160       4.2412      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3542      1.00000
      2     -21.5339      1.00000
      3     -21.4050      1.00000
      4     -21.4043      1.00000
      5     -21.3731      1.00000
      6     -21.3641      1.00000
      7     -21.3567      1.00000
      8     -19.6440      1.00000
      9     -19.5703      1.00000
     10     -19.5635      1.00000
     11     -19.5570      1.00000
     12     -19.5391      1.00000
     13     -19.5361      1.00000
     14     -18.7262      1.00000
     15     -18.6785      1.00000
     16     -18.6706      1.00000
     17     -18.6573      1.00000
     18     -18.6419      1.00000
     19     -18.6403      1.00000
     20     -16.5843      1.00000
     21     -16.5259      1.00000
     22     -16.5234      1.00000
     23     -16.5104      1.00000
     24     -16.4866      1.00000
     25     -16.4846      1.00000
     26     -15.5569      1.00000
     27     -15.5252      1.00000
     28     -15.5244      1.00000
     29     -15.4985      1.00000
     30     -15.4934      1.00000
     31     -15.4876      1.00000
     32     -14.2051      1.00000
     33     -14.1791      1.00000
     34     -14.1667      1.00000
     35     -14.1640      1.00000
     36     -14.1591      1.00000
     37     -14.1481      1.00000
     38     -11.8819      1.00000
     39     -11.8078      1.00000
     40     -11.7917      1.00000
     41     -11.7916      1.00000
     42     -11.7883      1.00000
     43     -11.7827      1.00000
     44     -11.7036      1.00000
     45     -11.6973      1.00000
     46     -11.6721      1.00000
     47     -11.6568      1.00000
     48     -11.6568      1.00000
     49     -11.6500      1.00000
     50     -10.6686      1.00000
     51     -10.3280      1.00000
     52     -10.3201      1.00000
     53     -10.3049      1.00000
     54     -10.3032      1.00000
     55     -10.2904      1.00000
     56     -10.2773      1.00000
     57      -9.9221      1.00000
     58      -9.3710      1.00000
     59      -9.3580      1.00000
     60      -9.2990      1.00000
     61      -9.2908      1.00000
     62      -9.2840      1.00000
     63      -9.0913      1.00000
     64      -9.0534      1.00000
     65      -9.0489      1.00000
     66      -9.0262      1.00000
     67      -9.0068      1.00000
     68      -9.0015      1.00000
     69      -9.0008      1.00000
     70      -8.9944      1.00000
     71      -8.9920      1.00000
     72      -8.9726      1.00000
     73      -8.9645      1.00000
     74      -8.9549      1.00000
     75      -8.4857      1.00000
     76      -7.5175      1.00000
     77      -7.4101      1.00000
     78      -7.4101      1.00000
     79      -7.3968      1.00000
     80      -7.3836      1.00000
     81      -7.3646      1.00000
     82      -7.3410      1.00000
     83      -7.3110      1.00000
     84      -7.2660      1.00000
     85      -7.2058      1.00000
     86      -7.1797      1.00000
     87      -7.1791      1.00000
     88      -7.0799      1.00000
     89      -6.5065      1.00000
     90      -6.4600      1.00000
     91      -6.3542      1.00000
     92      -6.2936      1.00000
     93      -6.2875      1.00000
     94      -6.2862      1.00000
     95      -5.8977      1.00000
     96      -5.8853      1.00000
     97      -5.0407      1.00000
     98      -4.9363      1.00000
     99      -4.5370      1.00000
    100      -4.3410      1.00000
    101      -4.3186      1.00000
    102      -4.3173      1.00000
    103      -4.1161      1.00000
    104      -3.9120      1.00000
    105      -3.9011      1.00000
    106      -3.8260      1.00000
    107      -1.6826      0.00000
    108      -1.6682      0.00000
    109      -1.5377      0.00000
    110      -1.5357      0.00000
    111      -1.5244      0.00000
    112      -1.5100      0.00000
    113      -0.5892      0.00000
    114       0.1329      0.00000
    115       0.2060      0.00000
    116       0.3232      0.00000
    117       0.3253      0.00000
    118       0.3326      0.00000
    119       0.4925      0.00000
    120       0.6099      0.00000
    121       1.2613      0.00000
    122       1.2898      0.00000
    123       1.5444      0.00000
    124       1.7575      0.00000
    125       1.8171      0.00000
    126       1.8206      0.00000
    127       1.8263      0.00000
    128       1.9464      0.00000
    129       1.9931      0.00000
    130       2.0297      0.00000
    131       2.0436      0.00000
    132       2.0489      0.00000
    133       2.0561      0.00000
    134       2.0655      0.00000
    135       2.3185      0.00000
    136       2.3296      0.00000
    137       2.6501      0.00000
    138       2.6582      0.00000
    139       2.6907      0.00000
    140       2.7420      0.00000
    141       2.8879      0.00000
    142       2.9967      0.00000
    143       3.0147      0.00000
    144       3.0418      0.00000
    145       3.0447      0.00000
    146       3.0450      0.00000
    147       3.0874      0.00000
    148       3.2526      0.00000
    149       3.4429      0.00000
    150       3.5590      0.00000
    151       3.7844      0.00000
    152       3.9508      0.00000
    153       3.9692      0.00000
    154       3.9735      0.00000
    155       3.9769      0.00000
    156       4.0098      0.00000
    157       4.1883      0.00000
    158       4.2688      0.00000
    159       4.2939      0.00000
    160       4.2952      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3176      1.00000
      2     -21.7591      1.00000
      3     -21.5686      1.00000
      4     -21.5360      1.00000
      5     -21.2057      1.00000
      6     -21.1611      1.00000
      7     -20.9854      1.00000
      8     -20.0998      1.00000
      9     -20.0560      1.00000
     10     -19.5446      1.00000
     11     -19.5201      1.00000
     12     -19.3475      1.00000
     13     -19.0230      1.00000
     14     -18.9882      1.00000
     15     -18.9799      1.00000
     16     -18.9678      1.00000
     17     -18.2960      1.00000
     18     -18.2769      1.00000
     19     -17.9507      1.00000
     20     -17.0082      1.00000
     21     -16.9586      1.00000
     22     -16.8776      1.00000
     23     -16.8683      1.00000
     24     -16.4040      1.00000
     25     -16.3895      1.00000
     26     -15.5504      1.00000
     27     -15.5347      1.00000
     28     -15.1964      1.00000
     29     -15.1681      1.00000
     30     -15.1135      1.00000
     31     -15.0267      1.00000
     32     -15.0019      1.00000
     33     -14.6352      1.00000
     34     -14.6235      1.00000
     35     -13.6665      1.00000
     36     -13.6512      1.00000
     37     -13.1688      1.00000
     38     -12.5503      1.00000
     39     -12.5175      1.00000
     40     -12.3897      1.00000
     41     -12.3767      1.00000
     42     -12.0566      1.00000
     43     -12.0340      1.00000
     44     -11.6579      1.00000
     45     -11.6163      1.00000
     46     -11.1800      1.00000
     47     -11.1568      1.00000
     48     -10.9636      1.00000
     49     -10.9397      1.00000
     50     -10.8721      1.00000
     51     -10.8365      1.00000
     52     -10.5988      1.00000
     53     -10.0923      1.00000
     54     -10.0877      1.00000
     55     -10.0446      1.00000
     56      -9.9686      1.00000
     57      -9.6529      1.00000
     58      -9.6285      1.00000
     59      -9.5908      1.00000
     60      -9.5285      1.00000
     61      -9.5107      1.00000
     62      -9.4786      1.00000
     63      -9.2625      1.00000
     64      -9.2404      1.00000
     65      -9.2199      1.00000
     66      -9.1659      1.00000
     67      -9.0672      1.00000
     68      -9.0461      1.00000
     69      -9.0407      1.00000
     70      -8.8811      1.00000
     71      -8.8060      1.00000
     72      -8.5742      1.00000
     73      -8.5224      1.00000
     74      -8.4532      1.00000
     75      -8.0352      1.00000
     76      -7.8092      1.00000
     77      -7.8059      1.00000
     78      -7.7920      1.00000
     79      -7.7000      1.00000
     80      -7.6905      1.00000
     81      -7.3684      1.00000
     82      -7.2726      1.00000
     83      -7.2647      1.00000
     84      -7.2171      1.00000
     85      -7.1724      1.00000
     86      -7.0087      1.00000
     87      -6.9476      1.00000
     88      -6.7450      1.00000
     89      -6.6714      1.00000
     90      -6.5941      1.00000
     91      -6.5589      1.00000
     92      -6.0506      1.00000
     93      -6.0460      1.00000
     94      -6.0214      1.00000
     95      -5.9592      1.00000
     96      -5.7360      1.00000
     97      -5.1512      1.00000
     98      -4.9884      1.00000
     99      -4.7178      1.00000
    100      -4.6111      1.00000
    101      -4.4389      1.00000
    102      -4.3734      1.00000
    103      -4.1213      1.00000
    104      -3.8679      1.00000
    105      -3.8269      1.00000
    106      -3.7903      1.00000
    107      -1.7857      0.00000
    108      -1.7395      0.00000
    109      -1.3956      0.00000
    110      -1.3467      0.00000
    111      -1.2659      0.00000
    112      -1.2269      0.00000
    113      -0.7471      0.00000
    114      -0.3813      0.00000
    115      -0.2214      0.00000
    116      -0.0214      0.00000
    117       0.5978      0.00000
    118       0.7405      0.00000
    119       0.7646      0.00000
    120       1.0497      0.00000
    121       1.1405      0.00000
    122       1.2509      0.00000
    123       1.2803      0.00000
    124       1.4245      0.00000
    125       1.4923      0.00000
    126       1.6042      0.00000
    127       1.7471      0.00000
    128       1.8406      0.00000
    129       1.8932      0.00000
    130       1.9620      0.00000
    131       2.1001      0.00000
    132       2.2563      0.00000
    133       2.2645      0.00000
    134       2.3242      0.00000
    135       2.5024      0.00000
    136       2.5941      0.00000
    137       2.6527      0.00000
    138       2.7849      0.00000
    139       2.7970      0.00000
    140       2.8169      0.00000
    141       2.8705      0.00000
    142       2.8856      0.00000
    143       2.9422      0.00000
    144       3.1187      0.00000
    145       3.2963      0.00000
    146       3.3115      0.00000
    147       3.3469      0.00000
    148       3.3716      0.00000
    149       3.4792      0.00000
    150       3.5764      0.00000
    151       3.6272      0.00000
    152       3.6837      0.00000
    153       3.7188      0.00000
    154       3.9259      0.00000
    155       3.9406      0.00000
    156       3.9952      0.00000
    157       4.0859      0.00000
    158       4.2171      0.00000
    159       4.2650      0.00000
    160       4.3052      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2119      1.00000
      2     -22.0059      1.00000
      3     -21.6472      1.00000
      4     -21.6103      1.00000
      5     -20.9110      1.00000
      6     -20.8649      1.00000
      7     -20.5438      1.00000
      8     -20.5046      1.00000
      9     -20.4943      1.00000
     10     -19.9619      1.00000
     11     -19.4407      1.00000
     12     -19.4139      1.00000
     13     -19.2402      1.00000
     14     -19.2258      1.00000
     15     -18.3825      1.00000
     16     -18.3386      1.00000
     17     -17.8587      1.00000
     18     -17.8380      1.00000
     19     -17.6965      1.00000
     20     -17.6542      1.00000
     21     -17.3710      1.00000
     22     -17.3552      1.00000
     23     -17.2734      1.00000
     24     -16.4005      1.00000
     25     -16.3858      1.00000
     26     -15.8951      1.00000
     27     -15.3514      1.00000
     28     -15.3361      1.00000
     29     -15.0337      1.00000
     30     -15.0199      1.00000
     31     -14.7987      1.00000
     32     -14.7742      1.00000
     33     -14.2211      1.00000
     34     -14.1892      1.00000
     35     -13.3702      1.00000
     36     -13.3368      1.00000
     37     -13.1191      1.00000
     38     -13.1018      1.00000
     39     -12.9147      1.00000
     40     -12.9014      1.00000
     41     -12.5561      1.00000
     42     -12.5383      1.00000
     43     -12.1325      1.00000
     44     -11.5205      1.00000
     45     -11.4732      1.00000
     46     -11.2524      1.00000
     47     -11.2191      1.00000
     48     -11.0789      1.00000
     49     -10.6561      1.00000
     50     -10.5888      1.00000
     51     -10.5209      1.00000
     52     -10.2568      1.00000
     53     -10.2485      1.00000
     54     -10.1211      1.00000
     55     -10.0485      1.00000
     56     -10.0411      1.00000
     57      -9.7672      1.00000
     58      -9.7042      1.00000
     59      -9.6795      1.00000
     60      -9.6303      1.00000
     61      -9.6257      1.00000
     62      -9.5866      1.00000
     63      -9.2937      1.00000
     64      -9.2847      1.00000
     65      -9.2528      1.00000
     66      -9.0829      1.00000
     67      -8.8965      1.00000
     68      -8.8828      1.00000
     69      -8.7236      1.00000
     70      -8.5855      1.00000
     71      -8.5139      1.00000
     72      -8.3297      1.00000
     73      -8.3015      1.00000
     74      -8.2640      1.00000
     75      -8.2327      1.00000
     76      -8.1951      1.00000
     77      -8.1864      1.00000
     78      -8.1707      1.00000
     79      -8.0945      1.00000
     80      -7.6871      1.00000
     81      -7.3605      1.00000
     82      -7.3109      1.00000
     83      -7.2658      1.00000
     84      -7.1872      1.00000
     85      -7.1262      1.00000
     86      -7.0763      1.00000
     87      -6.9064      1.00000
     88      -6.8821      1.00000
     89      -6.5497      1.00000
     90      -6.4929      1.00000
     91      -6.2101      1.00000
     92      -6.0680      1.00000
     93      -5.9406      1.00000
     94      -5.7130      1.00000
     95      -5.6325      1.00000
     96      -5.4517      1.00000
     97      -5.3041      1.00000
     98      -5.2338      1.00000
     99      -5.1520      1.00000
    100      -5.1515      1.00000
    101      -4.5193      1.00000
    102      -4.4703      1.00000
    103      -4.1406      1.00000
    104      -3.8300      1.00000
    105      -3.7569      1.00000
    106      -3.6804      1.00000
    107      -1.8714      0.00000
    108      -1.8249      0.00000
    109      -1.2784      0.00000
    110      -1.0368      0.00000
    111      -1.0128      0.00000
    112      -0.7140      0.00000
    113      -0.6408      0.00000
    114      -0.5894      0.00000
    115      -0.5473      0.00000
    116      -0.2065      0.00000
    117       0.2509      0.00000
    118       0.2772      0.00000
    119       0.7715      0.00000
    120       0.9523      0.00000
    121       1.1362      0.00000
    122       1.2326      0.00000
    123       1.3244      0.00000
    124       1.4189      0.00000
    125       1.6135      0.00000
    126       1.6348      0.00000
    127       1.7271      0.00000
    128       1.8189      0.00000
    129       1.9387      0.00000
    130       2.0392      0.00000
    131       2.0710      0.00000
    132       2.2867      0.00000
    133       2.3999      0.00000
    134       2.4545      0.00000
    135       2.5586      0.00000
    136       2.6478      0.00000
    137       2.7122      0.00000
    138       2.7837      0.00000
    139       2.8495      0.00000
    140       2.8979      0.00000
    141       3.0568      0.00000
    142       3.1068      0.00000
    143       3.2105      0.00000
    144       3.2543      0.00000
    145       3.3987      0.00000
    146       3.4335      0.00000
    147       3.5071      0.00000
    148       3.5906      0.00000
    149       3.6157      0.00000
    150       3.6333      0.00000
    151       3.6555      0.00000
    152       3.7422      0.00000
    153       3.7568      0.00000
    154       3.7679      0.00000
    155       3.8081      0.00000
    156       3.9041      0.00000
    157       3.9951      0.00000
    158       4.0204      0.00000
    159       4.1945      0.00000
    160       4.2250      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2457      1.00000
      2     -21.8915      1.00000
      3     -21.8212      1.00000
      4     -21.3097      1.00000
      5     -21.2796      1.00000
      6     -20.7685      1.00000
      7     -20.7028      1.00000
      8     -20.5543      1.00000
      9     -20.0072      1.00000
     10     -19.9996      1.00000
     11     -19.6462      1.00000
     12     -19.6220      1.00000
     13     -18.9280      1.00000
     14     -18.9194      1.00000
     15     -18.5693      1.00000
     16     -18.5553      1.00000
     17     -18.3923      1.00000
     18     -17.6132      1.00000
     19     -17.5574      1.00000
     20     -17.5523      1.00000
     21     -17.5108      1.00000
     22     -17.0548      1.00000
     23     -17.0370      1.00000
     24     -16.8910      1.00000
     25     -15.9292      1.00000
     26     -15.8657      1.00000
     27     -15.5149      1.00000
     28     -15.5143      1.00000
     29     -15.2272      1.00000
     30     -14.7936      1.00000
     31     -14.7662      1.00000
     32     -14.5140      1.00000
     33     -14.4702      1.00000
     34     -14.1009      1.00000
     35     -14.0899      1.00000
     36     -13.0760      1.00000
     37     -13.0312      1.00000
     38     -12.9656      1.00000
     39     -12.9539      1.00000
     40     -12.6444      1.00000
     41     -12.6376      1.00000
     42     -12.2728      1.00000
     43     -12.2416      1.00000
     44     -11.5863      1.00000
     45     -11.5604      1.00000
     46     -11.5054      1.00000
     47     -10.9025      1.00000
     48     -10.8502      1.00000
     49     -10.6176      1.00000
     50     -10.5587      1.00000
     51     -10.4839      1.00000
     52     -10.4331      1.00000
     53     -10.4230      1.00000
     54     -10.3709      1.00000
     55     -10.2925      1.00000
     56     -10.0627      1.00000
     57      -9.8318      1.00000
     58      -9.5469      1.00000
     59      -9.4874      1.00000
     60      -9.4668      1.00000
     61      -9.3458      1.00000
     62      -9.3301      1.00000
     63      -9.3096      1.00000
     64      -9.3076      1.00000
     65      -9.2129      1.00000
     66      -9.1114      1.00000
     67      -9.0806      1.00000
     68      -9.0494      1.00000
     69      -8.8443      1.00000
     70      -8.7926      1.00000
     71      -8.7733      1.00000
     72      -8.5259      1.00000
     73      -8.4726      1.00000
     74      -8.2169      1.00000
     75      -8.1090      1.00000
     76      -8.0993      1.00000
     77      -7.8057      1.00000
     78      -7.7826      1.00000
     79      -7.7814      1.00000
     80      -7.6718      1.00000
     81      -7.6317      1.00000
     82      -7.6299      1.00000
     83      -7.4033      1.00000
     84      -7.3237      1.00000
     85      -7.2062      1.00000
     86      -6.8397      1.00000
     87      -6.8295      1.00000
     88      -6.6589      1.00000
     89      -6.5381      1.00000
     90      -6.3442      1.00000
     91      -6.3066      1.00000
     92      -6.1840      1.00000
     93      -6.1475      1.00000
     94      -5.9773      1.00000
     95      -5.5716      1.00000
     96      -5.4254      1.00000
     97      -5.2585      1.00000
     98      -5.2453      1.00000
     99      -5.1486      1.00000
    100      -4.6952      1.00000
    101      -4.6653      1.00000
    102      -4.3496      1.00000
    103      -4.3122      1.00000
    104      -3.9632      1.00000
    105      -3.8224      1.00000
    106      -3.3909      1.00000
    107      -2.2206      0.00000
    108      -1.3771      0.00000
    109      -1.2877      0.00000
    110      -1.1744      0.00000
    111      -1.0790      0.00000
    112      -0.8946      0.00000
    113      -0.7694      0.00000
    114      -0.7584      0.00000
    115      -0.2228      0.00000
    116       0.1122      0.00000
    117       0.2623      0.00000
    118       0.3444      0.00000
    119       0.7459      0.00000
    120       0.9048      0.00000
    121       0.9727      0.00000
    122       1.1011      0.00000
    123       1.2177      0.00000
    124       1.5389      0.00000
    125       1.5914      0.00000
    126       1.7234      0.00000
    127       1.8382      0.00000
    128       1.8616      0.00000
    129       1.9491      0.00000
    130       2.0329      0.00000
    131       2.1498      0.00000
    132       2.2981      0.00000
    133       2.4116      0.00000
    134       2.4701      0.00000
    135       2.4820      0.00000
    136       2.6655      0.00000
    137       2.6875      0.00000
    138       2.7505      0.00000
    139       2.7593      0.00000
    140       2.9100      0.00000
    141       3.0402      0.00000
    142       3.1000      0.00000
    143       3.1710      0.00000
    144       3.2151      0.00000
    145       3.2623      0.00000
    146       3.2850      0.00000
    147       3.3764      0.00000
    148       3.4954      0.00000
    149       3.5553      0.00000
    150       3.7144      0.00000
    151       3.7646      0.00000
    152       3.7700      0.00000
    153       3.8325      0.00000
    154       3.9005      0.00000
    155       3.9661      0.00000
    156       3.9798      0.00000
    157       4.0045      0.00000
    158       4.0436      0.00000
    159       4.0443      0.00000
    160       4.0877      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1394      1.00000
      2     -22.0450      1.00000
      3     -21.8847      1.00000
      4     -21.3327      1.00000
      5     -20.9798      1.00000
      6     -20.9415      1.00000
      7     -20.4314      1.00000
      8     -20.3891      1.00000
      9     -20.2248      1.00000
     10     -20.2036      1.00000
     11     -19.8872      1.00000
     12     -19.8202      1.00000
     13     -18.8132      1.00000
     14     -18.7427      1.00000
     15     -18.2882      1.00000
     16     -18.2353      1.00000
     17     -18.0845      1.00000
     18     -18.0648      1.00000
     19     -17.7601      1.00000
     20     -17.7181      1.00000
     21     -17.1877      1.00000
     22     -17.1694      1.00000
     23     -17.0988      1.00000
     24     -17.0630      1.00000
     25     -16.0364      1.00000
     26     -15.8215      1.00000
     27     -15.7985      1.00000
     28     -15.7639      1.00000
     29     -15.1730      1.00000
     30     -14.4901      1.00000
     31     -14.4577      1.00000
     32     -14.2172      1.00000
     33     -13.8942      1.00000
     34     -13.8895      1.00000
     35     -13.7553      1.00000
     36     -13.7356      1.00000
     37     -13.5507      1.00000
     38     -13.5026      1.00000
     39     -13.2983      1.00000
     40     -12.5630      1.00000
     41     -12.1242      1.00000
     42     -12.0658      1.00000
     43     -12.0085      1.00000
     44     -11.9507      1.00000
     45     -11.6100      1.00000
     46     -11.5877      1.00000
     47     -11.0843      1.00000
     48     -11.0519      1.00000
     49     -10.7509      1.00000
     50     -10.6636      1.00000
     51     -10.5216      1.00000
     52     -10.1476      1.00000
     53     -10.1378      1.00000
     54     -10.0949      1.00000
     55      -9.9524      1.00000
     56      -9.9464      1.00000
     57      -9.9165      1.00000
     58      -9.7372      1.00000
     59      -9.7303      1.00000
     60      -9.7007      1.00000
     61      -9.6908      1.00000
     62      -9.4261      1.00000
     63      -9.3622      1.00000
     64      -9.0826      1.00000
     65      -9.0060      1.00000
     66      -8.9744      1.00000
     67      -8.8878      1.00000
     68      -8.8103      1.00000
     69      -8.6568      1.00000
     70      -8.6345      1.00000
     71      -8.5747      1.00000
     72      -8.4781      1.00000
     73      -8.4669      1.00000
     74      -8.3975      1.00000
     75      -8.3941      1.00000
     76      -8.1828      1.00000
     77      -8.1108      1.00000
     78      -7.9765      1.00000
     79      -7.9117      1.00000
     80      -7.8467      1.00000
     81      -7.6148      1.00000
     82      -7.5297      1.00000
     83      -7.4694      1.00000
     84      -7.2660      1.00000
     85      -6.9345      1.00000
     86      -6.8582      1.00000
     87      -6.8117      1.00000
     88      -6.5717      1.00000
     89      -6.4667      1.00000
     90      -6.4211      1.00000
     91      -6.3565      1.00000
     92      -6.0500      1.00000
     93      -5.8764      1.00000
     94      -5.7524      1.00000
     95      -5.7213      1.00000
     96      -5.4754      1.00000
     97      -5.3451      1.00000
     98      -5.1799      1.00000
     99      -5.1559      1.00000
    100      -5.1546      1.00000
    101      -4.7064      1.00000
    102      -4.4409      1.00000
    103      -4.2527      1.00000
    104      -3.9943      1.00000
    105      -3.8213      1.00000
    106      -3.1572      1.00000
    107      -2.4638      0.00000
    108      -1.3797      0.00000
    109      -1.2417      0.00000
    110      -1.1471      0.00000
    111      -1.1156      0.00000
    112      -0.5658      0.00000
    113      -0.4361      0.00000
    114      -0.4314      0.00000
    115      -0.3113      0.00000
    116      -0.1920      0.00000
    117       0.0605      0.00000
    118       0.1146      0.00000
    119       0.5393      0.00000
    120       0.6827      0.00000
    121       0.8819      0.00000
    122       0.9802      0.00000
    123       1.1218      0.00000
    124       1.5058      0.00000
    125       1.6788      0.00000
    126       1.8412      0.00000
    127       1.8964      0.00000
    128       2.0916      0.00000
    129       2.1203      0.00000
    130       2.1700      0.00000
    131       2.2201      0.00000
    132       2.3312      0.00000
    133       2.3396      0.00000
    134       2.4835      0.00000
    135       2.5652      0.00000
    136       2.6888      0.00000
    137       2.8901      0.00000
    138       2.9369      0.00000
    139       2.9798      0.00000
    140       3.0125      0.00000
    141       3.0592      0.00000
    142       3.1427      0.00000
    143       3.1683      0.00000
    144       3.2611      0.00000
    145       3.3051      0.00000
    146       3.3433      0.00000
    147       3.3535      0.00000
    148       3.3894      0.00000
    149       3.4253      0.00000
    150       3.5130      0.00000
    151       3.5641      0.00000
    152       3.6290      0.00000
    153       3.6578      0.00000
    154       3.7036      0.00000
    155       3.7278      0.00000
    156       3.9342      0.00000
    157       3.9512      0.00000
    158       4.0772      0.00000
    159       4.1189      0.00000
    160       4.2292      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2455      1.00000
      2     -21.8929      1.00000
      3     -21.8198      1.00000
      4     -21.3142      1.00000
      5     -21.2756      1.00000
      6     -20.7695      1.00000
      7     -20.7010      1.00000
      8     -20.5528      1.00000
      9     -20.0209      1.00000
     10     -19.9889      1.00000
     11     -19.6487      1.00000
     12     -19.6178      1.00000
     13     -18.9417      1.00000
     14     -18.9073      1.00000
     15     -18.5824      1.00000
     16     -18.5453      1.00000
     17     -18.3908      1.00000
     18     -17.6005      1.00000
     19     -17.5697      1.00000
     20     -17.5403      1.00000
     21     -17.5077      1.00000
     22     -17.0731      1.00000
     23     -17.0266      1.00000
     24     -16.8992      1.00000
     25     -15.9446      1.00000
     26     -15.8497      1.00000
     27     -15.5318      1.00000
     28     -15.5055      1.00000
     29     -15.2086      1.00000
     30     -14.8125      1.00000
     31     -14.7605      1.00000
     32     -14.5087      1.00000
     33     -14.4674      1.00000
     34     -14.0951      1.00000
     35     -14.0922      1.00000
     36     -13.1038      1.00000
     37     -13.0283      1.00000
     38     -12.9562      1.00000
     39     -12.9491      1.00000
     40     -12.6550      1.00000
     41     -12.6269      1.00000
     42     -12.2727      1.00000
     43     -12.2458      1.00000
     44     -11.5722      1.00000
     45     -11.5531      1.00000
     46     -11.4996      1.00000
     47     -10.8768      1.00000
     48     -10.8671      1.00000
     49     -10.6776      1.00000
     50     -10.5251      1.00000
     51     -10.5191      1.00000
     52     -10.4326      1.00000
     53     -10.4153      1.00000
     54     -10.3698      1.00000
     55     -10.2874      1.00000
     56     -10.0581      1.00000
     57      -9.8307      1.00000
     58      -9.5574      1.00000
     59      -9.4844      1.00000
     60      -9.4417      1.00000
     61      -9.3545      1.00000
     62      -9.3388      1.00000
     63      -9.3076      1.00000
     64      -9.3019      1.00000
     65      -9.2047      1.00000
     66      -9.0991      1.00000
     67      -9.0683      1.00000
     68      -9.0487      1.00000
     69      -8.8468      1.00000
     70      -8.7959      1.00000
     71      -8.7770      1.00000
     72      -8.5256      1.00000
     73      -8.4936      1.00000
     74      -8.2217      1.00000
     75      -8.1288      1.00000
     76      -8.0925      1.00000
     77      -7.8060      1.00000
     78      -7.7676      1.00000
     79      -7.7393      1.00000
     80      -7.7002      1.00000
     81      -7.6357      1.00000
     82      -7.6248      1.00000
     83      -7.3889      1.00000
     84      -7.3444      1.00000
     85      -7.2249      1.00000
     86      -6.8437      1.00000
     87      -6.8209      1.00000
     88      -6.6374      1.00000
     89      -6.5288      1.00000
     90      -6.3420      1.00000
     91      -6.2721      1.00000
     92      -6.1946      1.00000
     93      -6.1321      1.00000
     94      -6.0197      1.00000
     95      -5.6339      1.00000
     96      -5.5080      1.00000
     97      -5.2975      1.00000
     98      -5.1561      1.00000
     99      -5.0394      1.00000
    100      -4.7248      1.00000
    101      -4.6855      1.00000
    102      -4.3680      1.00000
    103      -4.1830      1.00000
    104      -4.0073      1.00000
    105      -3.8208      1.00000
    106      -3.4845      1.00000
    107      -2.1656      0.00000
    108      -1.3841      0.00000
    109      -1.2364      0.00000
    110      -1.1864      0.00000
    111      -1.0150      0.00000
    112      -0.9566      0.00000
    113      -0.7984      0.00000
    114      -0.7534      0.00000
    115      -0.3692      0.00000
    116       0.2443      0.00000
    117       0.2753      0.00000
    118       0.3624      0.00000
    119       0.7118      0.00000
    120       0.8689      0.00000
    121       0.9646      0.00000
    122       1.1344      0.00000
    123       1.2480      0.00000
    124       1.4620      0.00000
    125       1.5871      0.00000
    126       1.7852      0.00000
    127       1.8466      0.00000
    128       1.8727      0.00000
    129       2.0040      0.00000
    130       2.0442      0.00000
    131       2.1838      0.00000
    132       2.2371      0.00000
    133       2.4056      0.00000
    134       2.4254      0.00000
    135       2.5100      0.00000
    136       2.6592      0.00000
    137       2.6837      0.00000
    138       2.7447      0.00000
    139       2.7867      0.00000
    140       2.8783      0.00000
    141       2.9904      0.00000
    142       3.0980      0.00000
    143       3.1598      0.00000
    144       3.2117      0.00000
    145       3.2678      0.00000
    146       3.3039      0.00000
    147       3.3479      0.00000
    148       3.4962      0.00000
    149       3.5384      0.00000
    150       3.7200      0.00000
    151       3.7396      0.00000
    152       3.7705      0.00000
    153       3.8675      0.00000
    154       3.8818      0.00000
    155       3.9090      0.00000
    156       3.9726      0.00000
    157       4.0116      0.00000
    158       4.0478      0.00000
    159       4.0513      0.00000
    160       4.0947      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3175      1.00000
      2     -21.7594      1.00000
      3     -21.5658      1.00000
      4     -21.5389      1.00000
      5     -21.2029      1.00000
      6     -21.1645      1.00000
      7     -20.9841      1.00000
      8     -20.0968      1.00000
      9     -20.0584      1.00000
     10     -19.5446      1.00000
     11     -19.5245      1.00000
     12     -19.3435      1.00000
     13     -19.0264      1.00000
     14     -18.9868      1.00000
     15     -18.9761      1.00000
     16     -18.9706      1.00000
     17     -18.2946      1.00000
     18     -18.2812      1.00000
     19     -17.9454      1.00000
     20     -16.9993      1.00000
     21     -16.9590      1.00000
     22     -16.8818      1.00000
     23     -16.8690      1.00000
     24     -16.4149      1.00000
     25     -16.3924      1.00000
     26     -15.5395      1.00000
     27     -15.5362      1.00000
     28     -15.1721      1.00000
     29     -15.1705      1.00000
     30     -15.1298      1.00000
     31     -15.0354      1.00000
     32     -15.0002      1.00000
     33     -14.6323      1.00000
     34     -14.6255      1.00000
     35     -13.6618      1.00000
     36     -13.6522      1.00000
     37     -13.1705      1.00000
     38     -12.5721      1.00000
     39     -12.5129      1.00000
     40     -12.3846      1.00000
     41     -12.3841      1.00000
     42     -12.0350      1.00000
     43     -12.0312      1.00000
     44     -11.6535      1.00000
     45     -11.6135      1.00000
     46     -11.2051      1.00000
     47     -11.1567      1.00000
     48     -10.9542      1.00000
     49     -10.9417      1.00000
     50     -10.8594      1.00000
     51     -10.8273      1.00000
     52     -10.6204      1.00000
     53     -10.1446      1.00000
     54     -10.0837      1.00000
     55     -10.0248      1.00000
     56      -9.9437      1.00000
     57      -9.6301      1.00000
     58      -9.6290      1.00000
     59      -9.6021      1.00000
     60      -9.5397      1.00000
     61      -9.5032      1.00000
     62      -9.4783      1.00000
     63      -9.2705      1.00000
     64      -9.2352      1.00000
     65      -9.2063      1.00000
     66      -9.1786      1.00000
     67      -9.0613      1.00000
     68      -9.0467      1.00000
     69      -9.0433      1.00000
     70      -8.8757      1.00000
     71      -8.8079      1.00000
     72      -8.5327      1.00000
     73      -8.5320      1.00000
     74      -8.4937      1.00000
     75      -8.0314      1.00000
     76      -7.8316      1.00000
     77      -7.7965      1.00000
     78      -7.7735      1.00000
     79      -7.7034      1.00000
     80      -7.6846      1.00000
     81      -7.4189      1.00000
     82      -7.2874      1.00000
     83      -7.2517      1.00000
     84      -7.2020      1.00000
     85      -7.0801      1.00000
     86      -7.0783      1.00000
     87      -6.9384      1.00000
     88      -6.7094      1.00000
     89      -6.6732      1.00000
     90      -6.6289      1.00000
     91      -6.5572      1.00000
     92      -6.0716      1.00000
     93      -6.0311      1.00000
     94      -6.0009      1.00000
     95      -5.9377      1.00000
     96      -5.7987      1.00000
     97      -5.1779      1.00000
     98      -4.8930      1.00000
     99      -4.7928      1.00000
    100      -4.6113      1.00000
    101      -4.5126      1.00000
    102      -4.1392      1.00000
    103      -4.0904      1.00000
    104      -3.9308      1.00000
    105      -3.9159      1.00000
    106      -3.8202      1.00000
    107      -1.7530      0.00000
    108      -1.6974      0.00000
    109      -1.4111      0.00000
    110      -1.3716      0.00000
    111      -1.2656      0.00000
    112      -1.2367      0.00000
    113      -0.6268      0.00000
    114      -0.5995      0.00000
    115      -0.1908      0.00000
    116       0.0393      0.00000
    117       0.5942      0.00000
    118       0.7427      0.00000
    119       0.8476      0.00000
    120       0.9296      0.00000
    121       1.1659      0.00000
    122       1.2160      0.00000
    123       1.2498      0.00000
    124       1.4409      0.00000
    125       1.6039      0.00000
    126       1.6546      0.00000
    127       1.7192      0.00000
    128       1.7849      0.00000
    129       1.9173      0.00000
    130       1.9380      0.00000
    131       2.1524      0.00000
    132       2.1896      0.00000
    133       2.2682      0.00000
    134       2.3271      0.00000
    135       2.5625      0.00000
    136       2.5934      0.00000
    137       2.6017      0.00000
    138       2.7704      0.00000
    139       2.8016      0.00000
    140       2.8057      0.00000
    141       2.8926      0.00000
    142       2.9196      0.00000
    143       3.0335      0.00000
    144       3.0560      0.00000
    145       3.1235      0.00000
    146       3.3135      0.00000
    147       3.3272      0.00000
    148       3.3900      0.00000
    149       3.4910      0.00000
    150       3.5900      0.00000
    151       3.6593      0.00000
    152       3.6676      0.00000
    153       3.6860      0.00000
    154       3.9116      0.00000
    155       3.9851      0.00000
    156       4.0241      0.00000
    157       4.0940      0.00000
    158       4.2581      0.00000
    159       4.2659      0.00000
    160       4.2755      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1385      1.00000
      2     -22.0463      1.00000
      3     -21.8842      1.00000
      4     -21.3336      1.00000
      5     -20.9749      1.00000
      6     -20.9456      1.00000
      7     -20.4262      1.00000
      8     -20.3944      1.00000
      9     -20.2147      1.00000
     10     -20.2126      1.00000
     11     -19.8861      1.00000
     12     -19.8225      1.00000
     13     -18.8160      1.00000
     14     -18.7456      1.00000
     15     -18.2647      1.00000
     16     -18.2504      1.00000
     17     -18.0793      1.00000
     18     -18.0724      1.00000
     19     -17.7449      1.00000
     20     -17.7291      1.00000
     21     -17.1939      1.00000
     22     -17.1706      1.00000
     23     -17.0885      1.00000
     24     -17.0669      1.00000
     25     -16.0524      1.00000
     26     -15.8071      1.00000
     27     -15.7976      1.00000
     28     -15.7767      1.00000
     29     -15.1590      1.00000
     30     -14.4844      1.00000
     31     -14.4633      1.00000
     32     -14.2041      1.00000
     33     -13.9156      1.00000
     34     -13.8862      1.00000
     35     -13.7586      1.00000
     36     -13.7385      1.00000
     37     -13.5357      1.00000
     38     -13.5097      1.00000
     39     -13.2998      1.00000
     40     -12.5751      1.00000
     41     -12.1008      1.00000
     42     -12.0765      1.00000
     43     -11.9973      1.00000
     44     -11.9498      1.00000
     45     -11.6053      1.00000
     46     -11.5979      1.00000
     47     -11.0836      1.00000
     48     -11.0605      1.00000
     49     -10.7304      1.00000
     50     -10.6637      1.00000
     51     -10.5534      1.00000
     52     -10.1393      1.00000
     53     -10.1348      1.00000
     54     -10.0994      1.00000
     55      -9.9654      1.00000
     56      -9.9251      1.00000
     57      -9.9205      1.00000
     58      -9.7504      1.00000
     59      -9.7289      1.00000
     60      -9.6973      1.00000
     61      -9.6945      1.00000
     62      -9.3977      1.00000
     63      -9.3881      1.00000
     64      -9.0659      1.00000
     65      -8.9813      1.00000
     66      -8.9813      1.00000
     67      -8.9056      1.00000
     68      -8.8112      1.00000
     69      -8.6492      1.00000
     70      -8.6338      1.00000
     71      -8.5433      1.00000
     72      -8.5011      1.00000
     73      -8.4823      1.00000
     74      -8.3941      1.00000
     75      -8.3826      1.00000
     76      -8.2082      1.00000
     77      -8.0991      1.00000
     78      -8.0059      1.00000
     79      -7.8997      1.00000
     80      -7.8420      1.00000
     81      -7.6205      1.00000
     82      -7.5322      1.00000
     83      -7.4573      1.00000
     84      -7.2618      1.00000
     85      -6.9429      1.00000
     86      -6.8695      1.00000
     87      -6.8107      1.00000
     88      -6.4777      1.00000
     89      -6.4687      1.00000
     90      -6.4097      1.00000
     91      -6.3591      1.00000
     92      -6.1850      1.00000
     93      -5.8577      1.00000
     94      -5.7376      1.00000
     95      -5.7110      1.00000
     96      -5.5215      1.00000
     97      -5.3289      1.00000
     98      -5.1725      1.00000
     99      -5.1675      1.00000
    100      -5.1339      1.00000
    101      -4.6959      1.00000
    102      -4.3489      1.00000
    103      -4.2765      1.00000
    104      -4.0270      1.00000
    105      -3.8222      1.00000
    106      -3.2334      1.00000
    107      -2.4066      0.00000
    108      -1.3461      0.00000
    109      -1.2443      0.00000
    110      -1.1548      0.00000
    111      -1.1094      0.00000
    112      -0.5849      0.00000
    113      -0.5223      0.00000
    114      -0.4352      0.00000
    115      -0.2757      0.00000
    116      -0.0735      0.00000
    117      -0.0128      0.00000
    118       0.0584      0.00000
    119       0.5829      0.00000
    120       0.7090      0.00000
    121       0.8199      0.00000
    122       0.9549      0.00000
    123       1.1952      0.00000
    124       1.5323      0.00000
    125       1.6311      0.00000
    126       1.8879      0.00000
    127       2.0251      0.00000
    128       2.0618      0.00000
    129       2.0976      0.00000
    130       2.1402      0.00000
    131       2.2319      0.00000
    132       2.2858      0.00000
    133       2.3383      0.00000
    134       2.4299      0.00000
    135       2.6118      0.00000
    136       2.7160      0.00000
    137       2.8491      0.00000
    138       2.9133      0.00000
    139       2.9443      0.00000
    140       3.0308      0.00000
    141       3.0644      0.00000
    142       3.1310      0.00000
    143       3.1766      0.00000
    144       3.2359      0.00000
    145       3.3089      0.00000
    146       3.3228      0.00000
    147       3.3626      0.00000
    148       3.3811      0.00000
    149       3.4375      0.00000
    150       3.4591      0.00000
    151       3.5689      0.00000
    152       3.6152      0.00000
    153       3.6610      0.00000
    154       3.7029      0.00000
    155       3.8720      0.00000
    156       3.9187      0.00000
    157       3.9471      0.00000
    158       3.9711      0.00000
    159       4.1826      0.00000
    160       4.2084      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2115      1.00000
      2     -22.0065      1.00000
      3     -21.6444      1.00000
      4     -21.6135      1.00000
      5     -20.9080      1.00000
      6     -20.8678      1.00000
      7     -20.5375      1.00000
      8     -20.5052      1.00000
      9     -20.4985      1.00000
     10     -19.9611      1.00000
     11     -19.4394      1.00000
     12     -19.4175      1.00000
     13     -19.2386      1.00000
     14     -19.2315      1.00000
     15     -18.3749      1.00000
     16     -18.3402      1.00000
     17     -17.8578      1.00000
     18     -17.8418      1.00000
     19     -17.6902      1.00000
     20     -17.6548      1.00000
     21     -17.3714      1.00000
     22     -17.3572      1.00000
     23     -17.2670      1.00000
     24     -16.4123      1.00000
     25     -16.3891      1.00000
     26     -15.9035      1.00000
     27     -15.3424      1.00000
     28     -15.3376      1.00000
     29     -15.0300      1.00000
     30     -15.0205      1.00000
     31     -14.7762      1.00000
     32     -14.7740      1.00000
     33     -14.2369      1.00000
     34     -14.1866      1.00000
     35     -13.3870      1.00000
     36     -13.3332      1.00000
     37     -13.1105      1.00000
     38     -13.1026      1.00000
     39     -12.9165      1.00000
     40     -12.9109      1.00000
     41     -12.5450      1.00000
     42     -12.5375      1.00000
     43     -12.1333      1.00000
     44     -11.5125      1.00000
     45     -11.4684      1.00000
     46     -11.2436      1.00000
     47     -11.2123      1.00000
     48     -11.0861      1.00000
     49     -10.7015      1.00000
     50     -10.5952      1.00000
     51     -10.5071      1.00000
     52     -10.2513      1.00000
     53     -10.2471      1.00000
     54     -10.1200      1.00000
     55     -10.0537      1.00000
     56     -10.0388      1.00000
     57      -9.7826      1.00000
     58      -9.6868      1.00000
     59      -9.6730      1.00000
     60      -9.6375      1.00000
     61      -9.6279      1.00000
     62      -9.5848      1.00000
     63      -9.2951      1.00000
     64      -9.2835      1.00000
     65      -9.2522      1.00000
     66      -9.0597      1.00000
     67      -8.8948      1.00000
     68      -8.8837      1.00000
     69      -8.7177      1.00000
     70      -8.5771      1.00000
     71      -8.5255      1.00000
     72      -8.3493      1.00000
     73      -8.3042      1.00000
     74      -8.2433      1.00000
     75      -8.2381      1.00000
     76      -8.1946      1.00000
     77      -8.1821      1.00000
     78      -8.1693      1.00000
     79      -8.1012      1.00000
     80      -7.6881      1.00000
     81      -7.4239      1.00000
     82      -7.3431      1.00000
     83      -7.2598      1.00000
     84      -7.1693      1.00000
     85      -7.1094      1.00000
     86      -7.0055      1.00000
     87      -6.9031      1.00000
     88      -6.8485      1.00000
     89      -6.5422      1.00000
     90      -6.4992      1.00000
     91      -6.2075      1.00000
     92      -6.2019      1.00000
     93      -5.8946      1.00000
     94      -5.6727      1.00000
     95      -5.6058      1.00000
     96      -5.5800      1.00000
     97      -5.2535      1.00000
     98      -5.2312      1.00000
     99      -5.1649      1.00000
    100      -5.1346      1.00000
    101      -4.5996      1.00000
    102      -4.2468      1.00000
    103      -4.0435      1.00000
    104      -3.8847      1.00000
    105      -3.8367      1.00000
    106      -3.7988      1.00000
    107      -1.8092      0.00000
    108      -1.7822      0.00000
    109      -1.2263      0.00000
    110      -1.1759      0.00000
    111      -0.9749      0.00000
    112      -0.7357      0.00000
    113      -0.6509      0.00000
    114      -0.5949      0.00000
    115      -0.5507      0.00000
    116      -0.1569      0.00000
    117       0.1750      0.00000
    118       0.2866      0.00000
    119       0.7169      0.00000
    120       0.9597      0.00000
    121       1.1705      0.00000
    122       1.2761      0.00000
    123       1.3572      0.00000
    124       1.5262      0.00000
    125       1.6176      0.00000
    126       1.6379      0.00000
    127       1.6953      0.00000
    128       1.7819      0.00000
    129       1.8789      0.00000
    130       2.0452      0.00000
    131       2.1708      0.00000
    132       2.2873      0.00000
    133       2.4211      0.00000
    134       2.4243      0.00000
    135       2.5779      0.00000
    136       2.6415      0.00000
    137       2.6961      0.00000
    138       2.7037      0.00000
    139       2.7809      0.00000
    140       2.9182      0.00000
    141       3.0660      0.00000
    142       3.0751      0.00000
    143       3.2064      0.00000
    144       3.2932      0.00000
    145       3.4077      0.00000
    146       3.4247      0.00000
    147       3.4676      0.00000
    148       3.5553      0.00000
    149       3.5964      0.00000
    150       3.6424      0.00000
    151       3.6771      0.00000
    152       3.7003      0.00000
    153       3.7611      0.00000
    154       3.7656      0.00000
    155       3.8442      0.00000
    156       3.9169      0.00000
    157       3.9178      0.00000
    158       3.9827      0.00000
    159       4.2041      0.00000
    160       4.2412      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0410   -7.2561    3.9828   -1.1307   -0.1848   17.3750    0.4929   -0.8150    0.7704   -0.4752
x    -3.1260   -0.0251   -0.0203   -0.0267    0.0919   -3.0546    0.0301   -0.0244    0.0083    0.0018
x    -0.0953   -0.0029    0.0036   -0.0031    0.0021   -0.0242    0.0000    0.0000   -0.0001    0.0001
x    -0.0035   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0410    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0035    0.0000    0.0004    0.0007    0.0028   -0.0985   -0.0314    0.0616    0.0185
y     0.0231   -3.2422   -0.1790    0.1695   -2.4153   -0.6652
z   204.0410    1.7383    0.2867    0.0905   -0.0015    0.0776   -0.0019    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1043    0.0015   -0.0009   -0.0001    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0013   -0.0001    0.0001    0.0000
z    -0.0001    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  -16.6751
z     0.1429    0.2285   -0.0326    0.0570   -0.0904    0.0006
 total charge-density along one line
x   212.0000  -10.0875    5.9298   -1.9396   -0.4204   19.2936   -0.6566    0.2077    0.0649   -0.1041
x    -2.7066   -0.0087    0.0023   -0.0461    0.0980   -2.3460    0.0476   -0.0343    0.0116    0.0024
x    -0.0853   -0.0056    0.0084   -0.0079    0.0053   -0.0374    0.0000   -0.0001    0.0004   -0.0004
x    -0.0054    0.0000   -0.0002    0.0001    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  -10.0875    5.9298   -1.9396   -0.4204   19.2937   -0.6566    0.2077    0.0649   -0.1041
y    -2.7066   -0.0087    0.0023   -0.0461    0.0980   -2.3460    0.0476   -0.0343    0.0116    0.0024
y    -0.0853   -0.0056    0.0084   -0.0079    0.0053   -0.0374    0.0000   -0.0001    0.0004   -0.0004
y    -0.0054    0.0000   -0.0002    0.0001    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 -205.2892  188.8260 -170.1180  154.0700 -140.4302  126.5385 -111.0379   94.7317  -79.0335
z    64.6474  -51.7101   40.4929  -31.4723   24.7785  -19.8652   15.8600  -12.1992    8.8854   -6.2014
z     4.2775   -2.9511    1.9558   -1.1492    0.5413   -0.1580   -0.0607    0.2239   -0.3882    0.5220
z    -0.5682    0.5216   -0.4374    0.3748   -0.3478    0.3298   -0.2950    0.2445   -0.1969    0.1639
z    -0.1412    0.1192   -0.0953    0.0743   -0.0608    0.0531   -0.0467    0.0389   -0.0312    0.0257
z    -0.0226    0.0202   -0.0172    0.0140   -0.0113    0.0092   -0.0075    0.0058   -0.0043    0.0031
z    -0.0022    0.0013   -0.0004   -0.0002    0.0004   -0.0004    0.0005   -0.0008    0.0008   -0.0007
z     0.0004   -0.0002    0.0001   -0.0001    0.0000    0.0002   -0.0003    0.0003   -0.0003    0.0003
z    -0.0003    0.0003   -0.0002    0.0002   -0.0002    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001
z     0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 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
-10.938   0.000   0.042   0.000   0.003   0.199   0.000  -0.006
  0.000 -11.267   0.000  -0.102   0.000   0.000   0.239   0.000
  0.042   0.000 -11.241   0.000  -0.024  -0.006   0.000   0.237
  0.000  -0.102   0.000 -11.149   0.000   0.000   0.012   0.000
  0.003   0.000  -0.024   0.000 -10.935   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.237   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.225   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.198   0.000   0.000   0.000
  0.036   0.000   0.100   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.026   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.938   0.000   0.042   0.000   0.003   0.199   0.000  -0.006
  0.000 -11.267   0.000  -0.102   0.000   0.000   0.239   0.000
  0.042   0.000 -11.241   0.000  -0.024  -0.006   0.000   0.237
  0.000  -0.102   0.000 -11.149   0.000   0.000   0.012   0.000
  0.003   0.000  -0.024   0.000 -10.935   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.237   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.225   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.198   0.000   0.000   0.000
  0.036   0.000   0.100   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.026   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.960   0.000  -0.027   0.000   0.002   0.022   0.000   0.058   0.000  -0.014  -0.027   0.025   0.000   0.000   0.000   0.000
  0.000   1.585   0.000  -0.148   0.000   0.000   0.596   0.000   0.262   0.000   0.000   0.000   0.161   0.000   0.107  -0.035
 -0.027   0.000   1.790   0.000   0.019   0.044   0.000   0.351   0.000  -0.027  -0.231  -0.042   0.000   0.096   0.000   0.000
  0.000  -0.148   0.000   1.756   0.000   0.000   0.262   0.000   0.293   0.000   0.000   0.000   0.109   0.000   0.039   0.005
  0.002   0.000   0.019   0.000   1.966  -0.014   0.000  -0.036   0.000   0.004   0.011  -0.015   0.000   0.003   0.000   0.000
  0.022   0.000   0.044   0.000  -0.014   0.064   0.000   0.102   0.000  -0.025   0.195  -0.053   0.000   0.116   0.000   0.000
  0.000   0.596   0.000   0.262   0.000   0.000   0.330   0.000   0.108   0.000   0.000   0.000   0.058   0.000   0.066  -0.011
  0.058   0.000   0.351   0.000  -0.036   0.102   0.000   0.556   0.000  -0.058   0.697  -0.289   0.000   0.087   0.000   0.000
  0.000   0.262   0.000   0.293   0.000   0.000   0.108   0.000   0.205   0.000   0.000   0.000   0.065   0.000  -0.019  -0.007
 -0.014   0.000  -0.027   0.000   0.004  -0.025   0.000  -0.058   0.000   0.036  -0.111   0.031   0.000  -0.068   0.000   0.000
 -0.027   0.000  -0.231   0.000   0.011   0.195   0.000   0.697   0.000  -0.111   1.352  -0.432   0.000   0.268   0.000   0.000
  0.025   0.000  -0.042   0.000  -0.015  -0.053   0.000  -0.289   0.000   0.031  -0.432   0.191   0.000  -0.034   0.000   0.000
  0.000   0.161   0.000   0.109   0.000   0.000   0.058   0.000   0.065   0.000   0.000   0.000   0.044   0.000   0.012  -0.004
  0.000   0.000   0.096   0.000   0.003   0.116   0.000   0.087   0.000  -0.068   0.268  -0.034   0.000   0.307   0.000   0.000
  0.000   0.107   0.000   0.039   0.000   0.000   0.066   0.000  -0.019   0.000   0.000   0.000   0.012   0.000   0.031  -0.002
  0.000  -0.035   0.000   0.005   0.000   0.000  -0.011   0.000  -0.007   0.000   0.000   0.000  -0.004   0.000  -0.002   0.001
  0.002   0.000  -0.037   0.000  -0.001  -0.005   0.000  -0.009   0.000   0.003  -0.007   0.000   0.000  -0.014   0.000   0.000
  0.000   0.005   0.000  -0.041   0.000   0.000  -0.007   0.000  -0.004   0.000   0.000   0.000  -0.002   0.000  -0.002   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        0.639   0.275   8.027   8.941
  2        0.514   0.028   0.000   0.542
  3        0.514   0.028   0.000   0.542
  4        0.864   1.783   0.000   2.646
  5        0.864   1.782   0.000   2.646
  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   2.646
 10        0.864   1.783   0.000   2.647
 11        0.863   1.782   0.000   2.645
 12        0.864   1.784   0.000   2.648
 13        0.863   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        0.863   1.776   0.000   2.640
 17        0.856   1.772   0.000   2.628
 18        0.864   1.784   0.000   2.647
 19        0.864   1.782   0.000   2.646
 20        0.864   1.782   0.000   2.645
 21        0.863   1.781   0.000   2.644
 22        0.863   1.776   0.000   2.639
 23        0.863   1.783   0.000   2.646
 24        0.864   1.783   0.000   2.646
 25        0.863   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   1.783   0.000   2.647
 29        0.864   1.783   0.000   2.646
 30        0.864   1.783   0.000   2.647
 31        0.864   1.783   0.000   2.647
 32        0.864   1.782   0.000   2.646
 33        0.863   1.782   0.000   2.646
 34        0.864   1.782   0.000   2.646
 35        0.863   1.783   0.000   2.646
 36        0.863   1.776   0.000   2.639
 37        0.863   1.781   0.000   2.644
 38        0.864   1.782   0.000   2.645
 39        0.864   1.783   0.000   2.647
 40        0.864   1.784   0.000   2.647
 41        0.856   1.772   0.000   2.628
 42        0.863   1.776   0.000   2.640
 43        0.864   1.784   0.000   2.647
 44        0.864   1.783   0.000   2.646
 45        0.863   1.782   0.000   2.646
 46        0.864   1.784   0.000   2.648
 47        0.863   1.782   0.000   2.645
 48        0.864   1.783   0.000   2.647
 49        0.864   1.783   0.000   2.646
 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   1.782   0.000   2.646
------------------------------------------------
tot       44.829  89.417   8.027 142.273
 


 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   90.68: CPU time   45.72
    FORLOC:  VPU time    1.10: CPU time    1.10
    FORNL :  VPU time  363.75: CPU time  182.27
    STRESS:  VPU time 1095.03: CPU time  550.26
    FORCOR:  VPU time    7.43: CPU time    7.44
    FORHAR:  VPU time    1.97: CPU time    1.97
    MIXING:  VPU time    0.14: CPU time    0.13
 d Force = 0.1271565E-04[ 0.986E-05, 0.156E-04]  d Energy = 0.9434596E-05 0.328E-05
 d Force =-0.1049938E+00[-0.105E+00,-0.105E+00]  d Ewald  =-0.7276171E-01-0.322E-01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.644911 eV

  energy  without entropy=     -471.644911  energy(sigma->0) =     -471.644911
 

  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    40704.80  40721.76 -47405.77     14.68      0.00      0.00
  Hartree  40171.18  40174.93 -39425.36      3.25      0.00      0.00
  E(xc)     -779.69   -779.50   -807.22      0.17      0.00      0.00
  Local   -83169.29 -83183.76  84148.55    -12.53      0.00      0.00
  n-local   -215.74   -215.67   -203.82     -0.19      0.00      0.00
  augment     22.10     20.52     17.37     -1.37      0.00      0.00
  Kinetic   3168.32   3171.00   3582.00     -6.14      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.61     -0.55     -0.31      0.05      0.00      0.00
  in kB       -0.37     -0.33     -0.19      0.03      0.00      0.00
  external pressure =       -0.30 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
    12.348904924  0.001427277  0.000000000     0.080973438  0.046737626  0.000000000
    -6.173223048 10.695175063  0.000000000    -0.000010806  0.093493869  0.000000000
     0.000000000  0.000000000 19.972832096     0.000000000  0.000000000  0.050068012

  length of vectors
    12.348905007 12.348904908 19.972832096     0.093493869  0.093493869  0.050068012


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.400E-05 -.457E-04 -.959E+03   0.429E-05 -.274E-04 0.967E+03   0.742E-21 -.596E-22 -.794E+01   -.257E-07 0.151E-07 0.647E-02
   -.176E+02 -.305E+02 -.136E+03   0.184E+02 0.319E+02 0.138E+03   -.832E+00 -.144E+01 -.258E+01   -.207E-03 -.359E-03 -.695E-03
   0.176E+02 0.305E+02 -.136E+03   -.184E+02 -.319E+02 0.138E+03   0.832E+00 0.144E+01 -.258E+01   0.207E-03 0.359E-03 -.695E-03
   -.198E+01 0.114E+01 0.174E+02   0.199E+01 -.115E+01 -.174E+02   -.925E-02 0.534E-02 -.578E-02   -.400E-03 0.228E-03 -.980E-04
   0.578E+01 0.687E+01 0.200E+02   -.579E+01 -.691E+01 -.200E+02   0.614E-02 0.340E-01 -.166E-01   0.107E-03 -.635E-04 -.624E-04
   0.112E+02 0.505E+01 0.184E+02   -.112E+02 -.506E+01 -.183E+02   0.255E-01 0.819E-02 -.525E-01   -.381E-03 0.701E-03 0.101E-03
   0.452E+01 -.100E+01 0.162E+02   -.454E+01 0.101E+01 -.162E+02   0.197E-01 -.188E-01 -.293E-02   -.616E-04 0.589E-03 0.144E-03
   -.293E+01 -.240E+01 0.151E+02   0.294E+01 0.242E+01 -.151E+02   -.144E-01 -.147E-01 -.637E-03   -.176E-03 -.305E-03 0.469E-05
   0.614E+00 0.374E+01 0.151E+02   -.620E+00 -.376E+01 -.151E+02   0.550E-02 0.198E-01 -.637E-03   0.171E-03 0.298E-03 0.994E-06
   0.272E+01 0.182E+02 0.245E+02   -.272E+01 -.183E+02 -.245E+02   0.963E-02 0.109E+00 -.105E-01   -.351E-03 0.883E-03 0.194E-03
   0.214E+02 0.226E+02 0.395E+02   -.215E+02 -.228E+02 -.395E+02   0.118E+00 0.229E+00 -.200E-01   -.453E-03 -.233E-03 0.484E-03
   0.264E+02 -.448E+01 0.268E+02   -.267E+02 0.460E+01 -.267E+02   0.236E+00 -.118E+00 -.594E-01   -.348E-03 -.385E-05 0.395E-03
   0.916E+01 -.529E+01 0.156E+02   -.919E+01 0.530E+01 -.156E+02   0.155E-01 -.892E-02 0.565E-02   0.680E-03 -.399E-03 0.668E-04
   0.312E+01 -.341E+01 0.162E+02   -.315E+01 0.342E+01 -.162E+02   0.262E-01 -.768E-02 -.293E-02   -.543E-03 -.245E-03 0.135E-03
   -.606E+01 0.132E+02 0.198E+02   0.606E+01 -.132E+02 -.198E+02   -.445E-02 0.748E-01 -.125E-01   -.560E-03 0.161E-03 0.244E-03
   -.122E+02 0.334E+02 0.459E+02   0.123E+02 -.341E+02 -.463E+02   -.918E-01 0.677E+00 0.350E+00   -.279E-03 0.512E-03 0.405E-03
   0.263E+02 -.152E+02 0.694E+02   -.272E+02 0.157E+02 -.715E+02   0.963E+00 -.556E+00 0.209E+01   0.101E-03 -.611E-04 -.164E-03
   0.171E+02 -.207E+02 0.268E+02   -.173E+02 0.208E+02 -.267E+02   0.220E+00 -.146E+00 -.594E-01   -.173E-03 0.296E-03 0.390E-03
   0.123E+01 -.122E+02 0.184E+02   -.123E+01 0.123E+02 -.183E+02   0.566E-02 -.262E-01 -.525E-01   -.794E-03 -.212E-04 0.956E-04
   -.388E+01 0.153E+01 0.145E+02   0.389E+01 -.153E+01 -.144E+02   -.658E-02 0.390E-02 -.412E-01   -.571E-03 -.671E-03 0.578E-04
   -.182E+02 0.105E+02 0.209E+02   0.182E+02 -.105E+02 -.208E+02   -.633E-01 0.366E-01 -.127E+00   0.145E-03 -.800E-04 0.308E-03
   -.350E+02 -.610E+01 0.459E+02   0.357E+02 0.636E+01 -.463E+02   -.632E+00 -.259E+00 0.350E+00   -.579E-03 -.148E-04 0.408E-03
   -.883E+01 -.298E+02 0.395E+02   0.897E+01 0.300E+02 -.395E+02   -.139E+00 -.217E+00 -.200E-01   -.214E-04 0.505E-03 0.482E-03
   -.306E+01 -.844E+01 0.200E+02   0.309E+01 0.847E+01 -.200E+02   -.263E-01 -.223E-01 -.166E-01   0.110E-03 -.626E-04 -.632E-04
   0.126E+01 -.730E+00 0.149E+02   -.126E+01 0.729E+00 -.149E+02   -.129E-02 0.746E-03 -.322E-01   -.167E-03 0.984E-04 -.308E-04
   -.327E+01 0.260E+01 0.145E+02   0.327E+01 -.260E+01 -.144E+02   -.667E-02 0.375E-02 -.412E-01   0.297E-03 0.835E-03 0.626E-04
   -.144E+02 -.134E+01 0.198E+02   0.145E+02 0.137E+01 -.198E+02   -.670E-01 -.336E-01 -.125E-01   -.418E-03 0.403E-03 0.252E-03
   -.144E+02 -.114E+02 0.245E+02   0.145E+02 0.115E+02 -.245E+02   -.898E-01 -.630E-01 -.105E-01   -.939E-03 -.143E-03 0.197E-03
   0.306E+01 0.844E+01 0.200E+02   -.309E+01 -.847E+01 -.200E+02   0.263E-01 0.223E-01 -.166E-01   -.110E-03 0.626E-04 -.632E-04
   0.144E+02 0.114E+02 0.245E+02   -.145E+02 -.115E+02 -.245E+02   0.898E-01 0.630E-01 -.105E-01   0.939E-03 0.143E-03 0.197E-03
   0.144E+02 0.134E+01 0.198E+02   -.145E+02 -.137E+01 -.198E+02   0.670E-01 0.336E-01 -.125E-01   0.418E-03 -.403E-03 0.252E-03
   0.327E+01 -.260E+01 0.145E+02   -.327E+01 0.260E+01 -.144E+02   0.667E-02 -.375E-02 -.412E-01   -.297E-03 -.835E-03 0.626E-04
   -.126E+01 0.730E+00 0.149E+02   0.126E+01 -.728E+00 -.149E+02   0.129E-02 -.746E-03 -.322E-01   0.167E-03 -.984E-04 -.308E-04
   -.123E+01 0.122E+02 0.184E+02   0.123E+01 -.123E+02 -.183E+02   -.566E-02 0.262E-01 -.525E-01   0.794E-03 0.212E-04 0.956E-04
   0.883E+01 0.298E+02 0.395E+02   -.897E+01 -.300E+02 -.395E+02   0.139E+00 0.217E+00 -.200E-01   0.214E-04 -.505E-03 0.482E-03
   0.350E+02 0.610E+01 0.459E+02   -.357E+02 -.636E+01 -.463E+02   0.632E+00 0.259E+00 0.350E+00   0.579E-03 0.148E-04 0.408E-03
   0.182E+02 -.105E+02 0.209E+02   -.182E+02 0.105E+02 -.208E+02   0.633E-01 -.366E-01 -.127E+00   -.145E-03 0.800E-04 0.308E-03
   0.388E+01 -.153E+01 0.145E+02   -.389E+01 0.153E+01 -.144E+02   0.658E-02 -.390E-02 -.412E-01   0.571E-03 0.671E-03 0.578E-04
   -.313E+01 0.341E+01 0.162E+02   0.315E+01 -.342E+01 -.162E+02   -.262E-01 0.768E-02 -.293E-02   0.543E-03 0.245E-03 0.135E-03
   -.171E+02 0.207E+02 0.268E+02   0.173E+02 -.208E+02 -.267E+02   -.220E+00 0.146E+00 -.594E-01   0.173E-03 -.296E-03 0.390E-03
   -.263E+02 0.152E+02 0.694E+02   0.272E+02 -.157E+02 -.715E+02   -.963E+00 0.556E+00 0.209E+01   -.101E-03 0.611E-04 -.164E-03
   0.122E+02 -.334E+02 0.459E+02   -.123E+02 0.341E+02 -.463E+02   0.918E-01 -.677E+00 0.350E+00   0.279E-03 -.512E-03 0.405E-03
   0.606E+01 -.132E+02 0.198E+02   -.606E+01 0.132E+02 -.198E+02   0.445E-02 -.748E-01 -.125E-01   0.560E-03 -.161E-03 0.244E-03
   -.614E+00 -.374E+01 0.151E+02   0.620E+00 0.376E+01 -.151E+02   -.550E-02 -.198E-01 -.637E-03   -.171E-03 -.298E-03 0.998E-06
   -.916E+01 0.529E+01 0.156E+02   0.919E+01 -.530E+01 -.156E+02   -.155E-01 0.892E-02 0.565E-02   -.680E-03 0.399E-03 0.668E-04
   -.264E+02 0.448E+01 0.268E+02   0.267E+02 -.460E+01 -.267E+02   -.236E+00 0.118E+00 -.594E-01   0.348E-03 0.386E-05 0.395E-03
   -.214E+02 -.226E+02 0.395E+02   0.215E+02 0.228E+02 -.395E+02   -.118E+00 -.229E+00 -.200E-01   0.453E-03 0.233E-03 0.484E-03
   -.272E+01 -.182E+02 0.245E+02   0.272E+01 0.183E+02 -.245E+02   -.963E-02 -.109E+00 -.105E-01   0.351E-03 -.883E-03 0.194E-03
   0.198E+01 -.114E+01 0.174E+02   -.199E+01 0.115E+01 -.174E+02   0.925E-02 -.534E-02 -.578E-02   0.400E-03 -.228E-03 -.980E-04
   0.293E+01 0.240E+01 0.151E+02   -.294E+01 -.242E+01 -.151E+02   0.144E-01 0.147E-01 -.637E-03   0.176E-03 0.305E-03 0.469E-05
   -.452E+01 0.100E+01 0.162E+02   0.454E+01 -.101E+01 -.162E+02   -.197E-01 0.188E-01 -.293E-02   0.616E-04 -.589E-03 0.144E-03
   -.112E+02 -.505E+01 0.184E+02   0.112E+02 0.506E+01 -.183E+02   -.255E-01 -.819E-02 -.525E-01   0.381E-03 -.701E-03 0.101E-03
   -.578E+01 -.687E+01 0.200E+02   0.579E+01 0.691E+01 -.200E+02   -.614E-02 -.340E-01 -.166E-01   -.107E-03 0.635E-04 -.624E-04
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.306E-03 0.869E+01   0.298E-12 -.480E-13 -.480E-12   0.382E-16 -.305E-15 -.871E+01   -.334E-07 0.235E-07 0.131E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85303      6.06122     12.33714         0.000000      0.000000     -0.021928
      2.26240      6.77026     13.65333         0.003271      0.005665      0.012379
      1.44367      5.35218     13.65333        -0.003271     -0.005665      0.012379
      0.00058     -0.00033      9.95363         0.000316     -0.000182     -0.002281
     11.11346      2.13926      9.95571        -0.000468      0.001349     -0.000145
      9.87774      4.27905      9.96875         0.001869     -0.002320      0.000964
      8.64429      6.41859      9.96827        -0.000989     -0.003533     -0.000311
     -4.93694      8.55620      9.96284         0.000289      0.000716     -0.001253
      2.47055     -0.00116      9.96284        -0.000475     -0.000608     -0.001253
      1.23481      2.13622      9.96852         0.001051     -0.002762     -0.001873
     -0.00409      4.27511      9.99793         0.002530      0.002343     -0.001742
     -1.23867      6.41645     10.00369         0.002340      0.000635     -0.000473
     -2.46744      8.55564      9.97581        -0.004702      0.002715      0.002080
      4.93917      0.00113      9.96827         0.002565      0.002623     -0.000311
      3.70521      2.13658      9.97652         0.002944      0.000687     -0.001138
      2.47088      4.26349     10.04105         0.000008     -0.001722      0.004270
      1.22854      6.42177     10.11230        -0.001272      0.000734      0.006749
     -0.00046      8.56109     10.00369         0.000620     -0.002344     -0.000473
      7.40880      0.00271      9.96875         0.002944     -0.000459      0.000964
      6.17407      2.14009      9.96869         0.000343      0.004338     -0.000622
      4.94081      4.27849      9.99763        -0.000984      0.000568     -0.000790
      3.71884      6.42501     10.04105         0.001495      0.000855      0.004270
      2.47129      8.56258      9.99793        -0.000764     -0.003363     -0.001742
      9.87977      0.00243      9.95571        -0.001402     -0.000269     -0.000145
      8.64364      2.14066      9.95881         0.000366     -0.000211     -0.002528
      7.40935      4.27966      9.96869        -0.003585     -0.002466     -0.000622
      6.17796      6.41950      9.97652         0.000877     -0.002893     -0.001138
      4.94306      8.55911      9.96852         0.002918      0.000471     -0.001873
     -0.00048      1.42483      9.95571         0.001402      0.000269     -0.000145
     -1.23700      3.56332      9.96852        -0.002918     -0.000471     -0.001873
     -2.47189      5.70293      9.97652        -0.000877      0.002893     -0.001138
     -3.70329      7.84278      9.96869         0.003585      0.002466     -0.000622
     -4.93758      9.98177      9.95881        -0.000366      0.000211     -0.002528
      2.47049      1.42455      9.96875        -0.002944      0.000459      0.000964
      1.23478      3.55985      9.99793         0.000764      0.003363     -0.001742
     -0.01277      5.69743     10.04105        -0.001495     -0.000855      0.004270
     -1.23474      7.84395      9.99763         0.000984     -0.000568     -0.000790
     -2.46801      9.98235      9.96869        -0.000343     -0.004338     -0.000622
      4.94012      1.42613      9.96827        -0.002565     -0.002623     -0.000311
      3.70652      3.56134     10.00369        -0.000620      0.002344     -0.000473
      2.47752      5.70067     10.11230         0.001272     -0.000734      0.006749
      1.23518      7.85894     10.04105        -0.000008      0.001722      0.004270
      0.00085      9.98585      9.97652        -0.002944     -0.000687     -0.001138
      7.40874      1.42842      9.96284         0.000475      0.000608     -0.001253
      6.17350      3.56680      9.97581         0.004702     -0.002715      0.002080
      4.94473      5.70599     10.00369        -0.002340     -0.000635     -0.000473
      3.71015      7.84733      9.99793        -0.002530     -0.002343     -0.001742
      2.47126      9.98621      9.96852        -0.001051      0.002762     -0.001873
      9.87871      1.42759      9.95363        -0.000316      0.000182     -0.002281
      8.64300      3.56624      9.96284        -0.000289     -0.000716     -0.001253
      7.41068      5.70527      9.96827         0.000989      0.003533     -0.000311
      6.17723      7.84482      9.96875        -0.001869      0.002320      0.000964
      4.94151      9.98460      9.95571         0.000468     -0.001349     -0.000145
 -----------------------------------------------------------------------------------
    total drift:                               -0.001814      0.000306     -0.009141


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


 Conjugate gradient step on ions:
 trial-energy change:   -0.000009  1 .order   -0.000013   -0.000016   -0.000010
  (g-gl).g = 0.222E-04      g.g   = 0.197E-03  gl.gl    = 0.252E-03
 g(Force)  = 0.185E-03   g(Stress)= 0.120E-04 ortho     =-0.121E-05
 gamma     =   0.08830
 trial     =   0.08262
 opt step  =   0.22762  (harmonic =   0.22762) maximal distance =0.00022503
 next E    =  -471.644924   (d E  =  -0.00002)


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


    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  151.08: CPU time   75.61
     LOOP+:  VPU time 4139.71: CPU time 2114.38


----------------------------------------- Iteration   31(   1)  ---------------------------------------


    POTLOK:  VPU time    7.80: CPU time    7.73
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1381.57: CPU time  705.20
 BZINTS: Fermi energy: -3.147987;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   90.62: CPU time   45.65
    MIXING:  VPU time    0.12: CPU time    0.12
    ------------------------------------------
      LOOP:  VPU time 1480.46: CPU time  759.02

 eigenvalue-minimisations  :  5528
 total energy-change (2. order) :-0.4716449E+03  (-0.6323411E-04)
 number of electron  212.0000031 magnetization    0.0000000
 augmentation part     7.9591726 magnetization    0.0000002

 Broyden mixing:
  rms(total) = 0.53864E-03    rms(broyden)= 0.53831E-03
  rms(prec ) = 0.59225E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34020.94035934
  -1/2 Hartree   DENC   =    -40921.15502353
  -V(xc)+E(xc)   XCENC  =       726.55417569
  PAW double counting   =      4091.68781404    -4130.05710230
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.05500376
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64492691 eV

  energy without entropy =     -471.64492691  energy(sigma->0) =     -471.64492691


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




----------------------------------------- Iteration   31(   2)  ---------------------------------------


    POTLOK:  VPU time    7.73: CPU time    7.73
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1126.43: CPU time  575.37
 BZINTS: Fermi energy: -3.147810;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1134.51: CPU time  583.42

 eigenvalue-minimisations  :  4112
 total energy-change (2. order) :-0.2812434E-05  (-0.1395076E-05)
 number of electron  212.0000031 magnetization    0.0000000
 augmentation part     7.9591726 magnetization    0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34020.94035934
  -1/2 Hartree   DENC   =    -40921.12970498
  -V(xc)+E(xc)   XCENC  =       726.55371697
  PAW double counting   =      4091.66319055    -4130.03237202
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.07997320
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64492972 eV

  energy without entropy =     -471.64492972  energy(sigma->0) =     -471.64492972


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




 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 -58.5331       2 -39.9736       3 -39.9736       4 -58.2459       5 -58.2504
       6 -58.2576       7 -58.2485       8 -58.2465       9 -58.2465      10 -58.2625
      11 -58.3172      12 -58.2941      13 -58.2518      14 -58.2484      15 -58.2593
      16 -58.4390      17 -58.7316      18 -58.2941      19 -58.2576      20 -58.2519
      21 -58.2789      22 -58.4390      23 -58.3172      24 -58.2504      25 -58.2454
      26 -58.2519      27 -58.2593      28 -58.2625      29 -58.2503      30 -58.2624
      31 -58.2591      32 -58.2519      33 -58.2453      34 -58.2575      35 -58.3171
      36 -58.4389      37 -58.2788      38 -58.2519      39 -58.2483      40 -58.2940
      41 -58.7315      42 -58.4389      43 -58.2591      44 -58.2464      45 -58.2516
      46 -58.2940      47 -58.3171      48 -58.2624      49 -58.2458      50 -58.2464
      51 -58.2483      52 -58.2575      53 -58.2503
 
 
 
 E-fermi :  -3.1478     XC(G=0):  -2.3361     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     -22.3545      1.00000
      2     -21.5343      1.00000
      3     -21.4053      1.00000
      4     -21.4046      1.00000
      5     -21.3734      1.00000
      6     -21.3644      1.00000
      7     -21.3571      1.00000
      8     -19.6443      1.00000
      9     -19.5709      1.00000
     10     -19.5639      1.00000
     11     -19.5574      1.00000
     12     -19.5392      1.00000
     13     -19.5363      1.00000
     14     -18.7267      1.00000
     15     -18.6787      1.00000
     16     -18.6711      1.00000
     17     -18.6576      1.00000
     18     -18.6422      1.00000
     19     -18.6407      1.00000
     20     -16.5850      1.00000
     21     -16.5261      1.00000
     22     -16.5236      1.00000
     23     -16.5108      1.00000
     24     -16.4868      1.00000
     25     -16.4849      1.00000
     26     -15.5573      1.00000
     27     -15.5252      1.00000
     28     -15.5245      1.00000
     29     -15.4989      1.00000
     30     -15.4941      1.00000
     31     -15.4880      1.00000
     32     -14.2054      1.00000
     33     -14.1796      1.00000
     34     -14.1668      1.00000
     35     -14.1646      1.00000
     36     -14.1594      1.00000
     37     -14.1483      1.00000
     38     -11.8821      1.00000
     39     -11.8080      1.00000
     40     -11.7922      1.00000
     41     -11.7920      1.00000
     42     -11.7889      1.00000
     43     -11.7831      1.00000
     44     -11.7039      1.00000
     45     -11.6976      1.00000
     46     -11.6723      1.00000
     47     -11.6572      1.00000
     48     -11.6571      1.00000
     49     -11.6502      1.00000
     50     -10.6689      1.00000
     51     -10.3285      1.00000
     52     -10.3204      1.00000
     53     -10.3051      1.00000
     54     -10.3037      1.00000
     55     -10.2905      1.00000
     56     -10.2776      1.00000
     57      -9.9223      1.00000
     58      -9.3713      1.00000
     59      -9.3583      1.00000
     60      -9.2993      1.00000
     61      -9.2911      1.00000
     62      -9.2843      1.00000
     63      -9.0915      1.00000
     64      -9.0537      1.00000
     65      -9.0493      1.00000
     66      -9.0266      1.00000
     67      -9.0071      1.00000
     68      -9.0022      1.00000
     69      -9.0008      1.00000
     70      -8.9949      1.00000
     71      -8.9922      1.00000
     72      -8.9729      1.00000
     73      -8.9652      1.00000
     74      -8.9547      1.00000
     75      -8.4853      1.00000
     76      -7.5170      1.00000
     77      -7.4104      1.00000
     78      -7.4102      1.00000
     79      -7.3973      1.00000
     80      -7.3842      1.00000
     81      -7.3646      1.00000
     82      -7.3419      1.00000
     83      -7.3110      1.00000
     84      -7.2662      1.00000
     85      -7.2061      1.00000
     86      -7.1798      1.00000
     87      -7.1793      1.00000
     88      -7.0794      1.00000
     89      -6.5067      1.00000
     90      -6.4605      1.00000
     91      -6.3547      1.00000
     92      -6.2938      1.00000
     93      -6.2878      1.00000
     94      -6.2864      1.00000
     95      -5.8982      1.00000
     96      -5.8855      1.00000
     97      -5.0412      1.00000
     98      -4.9367      1.00000
     99      -4.5373      1.00000
    100      -4.3413      1.00000
    101      -4.3187      1.00000
    102      -4.3176      1.00000
    103      -4.1163      1.00000
    104      -3.9122      1.00000
    105      -3.9012      1.00000
    106      -3.8266      1.00000
    107      -1.6828      0.00000
    108      -1.6685      0.00000
    109      -1.5381      0.00000
    110      -1.5365      0.00000
    111      -1.5243      0.00000
    112      -1.5103      0.00000
    113      -0.5902      0.00000
    114       0.1324      0.00000
    115       0.2057      0.00000
    116       0.3230      0.00000
    117       0.3249      0.00000
    118       0.3323      0.00000
    119       0.4924      0.00000
    120       0.6082      0.00000
    121       1.2607      0.00000
    122       1.2883      0.00000
    123       1.5435      0.00000
    124       1.7631      0.00000
    125       1.8155      0.00000
    126       1.8190      0.00000
    127       1.8246      0.00000
    128       1.9460      0.00000
    129       1.9915      0.00000
    130       2.0295      0.00000
    131       2.0432      0.00000
    132       2.0483      0.00000
    133       2.0554      0.00000
    134       2.0648      0.00000
    135       2.3184      0.00000
    136       2.3273      0.00000
    137       2.6472      0.00000
    138       2.6551      0.00000
    139       2.6877      0.00000
    140       2.7464      0.00000
    141       2.8856      0.00000
    142       3.0019      0.00000
    143       3.0205      0.00000
    144       3.0504      0.00000
    145       3.0535      0.00000
    146       3.0541      0.00000
    147       3.0910      0.00000
    148       3.2524      0.00000
    149       3.4450      0.00000
    150       3.5584      0.00000
    151       3.7857      0.00000
    152       3.9515      0.00000
    153       3.9746      0.00000
    154       3.9785      0.00000
    155       3.9836      0.00000
    156       4.0094      0.00000
    157       4.1901      0.00000
    158       4.2702      0.00000
    159       4.2930      0.00000
    160       4.2943      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3179      1.00000
      2     -21.7594      1.00000
      3     -21.5689      1.00000
      4     -21.5362      1.00000
      5     -21.2061      1.00000
      6     -21.1614      1.00000
      7     -20.9857      1.00000
      8     -20.1001      1.00000
      9     -20.0563      1.00000
     10     -19.5448      1.00000
     11     -19.5204      1.00000
     12     -19.3478      1.00000
     13     -19.0233      1.00000
     14     -18.9884      1.00000
     15     -18.9803      1.00000
     16     -18.9681      1.00000
     17     -18.2963      1.00000
     18     -18.2772      1.00000
     19     -17.9511      1.00000
     20     -17.0087      1.00000
     21     -16.9590      1.00000
     22     -16.8780      1.00000
     23     -16.8684      1.00000
     24     -16.4043      1.00000
     25     -16.3897      1.00000
     26     -15.5509      1.00000
     27     -15.5349      1.00000
     28     -15.1968      1.00000
     29     -15.1684      1.00000
     30     -15.1138      1.00000
     31     -15.0269      1.00000
     32     -15.0023      1.00000
     33     -14.6355      1.00000
     34     -14.6238      1.00000
     35     -13.6668      1.00000
     36     -13.6516      1.00000
     37     -13.1691      1.00000
     38     -12.5505      1.00000
     39     -12.5178      1.00000
     40     -12.3901      1.00000
     41     -12.3770      1.00000
     42     -12.0569      1.00000
     43     -12.0344      1.00000
     44     -11.6583      1.00000
     45     -11.6166      1.00000
     46     -11.1804      1.00000
     47     -11.1569      1.00000
     48     -10.9639      1.00000
     49     -10.9401      1.00000
     50     -10.8725      1.00000
     51     -10.8367      1.00000
     52     -10.5991      1.00000
     53     -10.0925      1.00000
     54     -10.0880      1.00000
     55     -10.0449      1.00000
     56      -9.9689      1.00000
     57      -9.6533      1.00000
     58      -9.6288      1.00000
     59      -9.5912      1.00000
     60      -9.5288      1.00000
     61      -9.5111      1.00000
     62      -9.4788      1.00000
     63      -9.2627      1.00000
     64      -9.2408      1.00000
     65      -9.2202      1.00000
     66      -9.1662      1.00000
     67      -9.0675      1.00000
     68      -9.0465      1.00000
     69      -9.0410      1.00000
     70      -8.8814      1.00000
     71      -8.8063      1.00000
     72      -8.5746      1.00000
     73      -8.5226      1.00000
     74      -8.4531      1.00000
     75      -8.0355      1.00000
     76      -7.8093      1.00000
     77      -7.8062      1.00000
     78      -7.7923      1.00000
     79      -7.7003      1.00000
     80      -7.6909      1.00000
     81      -7.3678      1.00000
     82      -7.2730      1.00000
     83      -7.2649      1.00000
     84      -7.2170      1.00000
     85      -7.1725      1.00000
     86      -7.0088      1.00000
     87      -6.9480      1.00000
     88      -6.7452      1.00000
     89      -6.6716      1.00000
     90      -6.5944      1.00000
     91      -6.5592      1.00000
     92      -6.0509      1.00000
     93      -6.0463      1.00000
     94      -6.0217      1.00000
     95      -5.9596      1.00000
     96      -5.7364      1.00000
     97      -5.1516      1.00000
     98      -4.9889      1.00000
     99      -4.7182      1.00000
    100      -4.6113      1.00000
    101      -4.4391      1.00000
    102      -4.3736      1.00000
    103      -4.1216      1.00000
    104      -3.8681      1.00000
    105      -3.8275      1.00000
    106      -3.7904      1.00000
    107      -1.7860      0.00000
    108      -1.7399      0.00000
    109      -1.3960      0.00000
    110      -1.3472      0.00000
    111      -1.2659      0.00000
    112      -1.2273      0.00000
    113      -0.7476      0.00000
    114      -0.3818      0.00000
    115      -0.2218      0.00000
    116      -0.0218      0.00000
    117       0.5967      0.00000
    118       0.7397      0.00000
    119       0.7641      0.00000
    120       1.0494      0.00000
    121       1.1401      0.00000
    122       1.2506      0.00000
    123       1.2791      0.00000
    124       1.4234      0.00000
    125       1.4907      0.00000
    126       1.6029      0.00000
    127       1.7498      0.00000
    128       1.8406      0.00000
    129       1.8931      0.00000
    130       1.9612      0.00000
    131       2.1004      0.00000
    132       2.2550      0.00000
    133       2.2622      0.00000
    134       2.3219      0.00000
    135       2.5015      0.00000
    136       2.6010      0.00000
    137       2.6507      0.00000
    138       2.7848      0.00000
    139       2.8016      0.00000
    140       2.8239      0.00000
    141       2.8699      0.00000
    142       2.8865      0.00000
    143       2.9446      0.00000
    144       3.1162      0.00000
    145       3.2967      0.00000
    146       3.3141      0.00000
    147       3.3517      0.00000
    148       3.3761      0.00000
    149       3.4801      0.00000
    150       3.5824      0.00000
    151       3.6304      0.00000
    152       3.6852      0.00000
    153       3.7204      0.00000
    154       3.9269      0.00000
    155       3.9420      0.00000
    156       3.9947      0.00000
    157       4.0872      0.00000
    158       4.2177      0.00000
    159       4.2676      0.00000
    160       4.3058      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2122      1.00000
      2     -22.0062      1.00000
      3     -21.6475      1.00000
      4     -21.6106      1.00000
      5     -20.9113      1.00000
      6     -20.8652      1.00000
      7     -20.5441      1.00000
      8     -20.5049      1.00000
      9     -20.4946      1.00000
     10     -19.9622      1.00000
     11     -19.4410      1.00000
     12     -19.4142      1.00000
     13     -19.2405      1.00000
     14     -19.2261      1.00000
     15     -18.3829      1.00000
     16     -18.3390      1.00000
     17     -17.8591      1.00000
     18     -17.8382      1.00000
     19     -17.6969      1.00000
     20     -17.6545      1.00000
     21     -17.3713      1.00000
     22     -17.3555      1.00000
     23     -17.2738      1.00000
     24     -16.4007      1.00000
     25     -16.3861      1.00000
     26     -15.8954      1.00000
     27     -15.3517      1.00000
     28     -15.3363      1.00000
     29     -15.0340      1.00000
     30     -15.0202      1.00000
     31     -14.7992      1.00000
     32     -14.7747      1.00000
     33     -14.2213      1.00000
     34     -14.1896      1.00000
     35     -13.3705      1.00000
     36     -13.3371      1.00000
     37     -13.1194      1.00000
     38     -13.1021      1.00000
     39     -12.9150      1.00000
     40     -12.9017      1.00000
     41     -12.5564      1.00000
     42     -12.5387      1.00000
     43     -12.1328      1.00000
     44     -11.5209      1.00000
     45     -11.4735      1.00000
     46     -11.2528      1.00000
     47     -11.2194      1.00000
     48     -11.0793      1.00000
     49     -10.6565      1.00000
     50     -10.5889      1.00000
     51     -10.5213      1.00000
     52     -10.2571      1.00000
     53     -10.2488      1.00000
     54     -10.1214      1.00000
     55     -10.0489      1.00000
     56     -10.0413      1.00000
     57      -9.7675      1.00000
     58      -9.7046      1.00000
     59      -9.6797      1.00000
     60      -9.6306      1.00000
     61      -9.6260      1.00000
     62      -9.5869      1.00000
     63      -9.2940      1.00000
     64      -9.2850      1.00000
     65      -9.2531      1.00000
     66      -9.0830      1.00000
     67      -8.8968      1.00000
     68      -8.8832      1.00000
     69      -8.7238      1.00000
     70      -8.5857      1.00000
     71      -8.5141      1.00000
     72      -8.3300      1.00000
     73      -8.3018      1.00000
     74      -8.2646      1.00000
     75      -8.2330      1.00000
     76      -8.1955      1.00000
     77      -8.1866      1.00000
     78      -8.1711      1.00000
     79      -8.0944      1.00000
     80      -7.6874      1.00000
     81      -7.3600      1.00000
     82      -7.3109      1.00000
     83      -7.2659      1.00000
     84      -7.1874      1.00000
     85      -7.1262      1.00000
     86      -7.0764      1.00000
     87      -6.9066      1.00000
     88      -6.8823      1.00000
     89      -6.5500      1.00000
     90      -6.4932      1.00000
     91      -6.2105      1.00000
     92      -6.0685      1.00000
     93      -5.9410      1.00000
     94      -5.7133      1.00000
     95      -5.6329      1.00000
     96      -5.4521      1.00000
     97      -5.3044      1.00000
     98      -5.2343      1.00000
     99      -5.1523      1.00000
    100      -5.1518      1.00000
    101      -4.5195      1.00000
    102      -4.4704      1.00000
    103      -4.1410      1.00000
    104      -3.8305      1.00000
    105      -3.7571      1.00000
    106      -3.6805      1.00000
    107      -1.8718      0.00000
    108      -1.8253      0.00000
    109      -1.2788      0.00000
    110      -1.0373      0.00000
    111      -1.0131      0.00000
    112      -0.7143      0.00000
    113      -0.6412      0.00000
    114      -0.5896      0.00000
    115      -0.5476      0.00000
    116      -0.2073      0.00000
    117       0.2506      0.00000
    118       0.2769      0.00000
    119       0.7700      0.00000
    120       0.9512      0.00000
    121       1.1354      0.00000
    122       1.2316      0.00000
    123       1.3236      0.00000
    124       1.4178      0.00000
    125       1.6124      0.00000
    126       1.6343      0.00000
    127       1.7249      0.00000
    128       1.8203      0.00000
    129       1.9375      0.00000
    130       2.0370      0.00000
    131       2.0766      0.00000
    132       2.2928      0.00000
    133       2.3992      0.00000
    134       2.4525      0.00000
    135       2.5574      0.00000
    136       2.6466      0.00000
    137       2.7194      0.00000
    138       2.7911      0.00000
    139       2.8482      0.00000
    140       2.8993      0.00000
    141       3.0587      0.00000
    142       3.1054      0.00000
    143       3.2092      0.00000
    144       3.2543      0.00000
    145       3.3985      0.00000
    146       3.4328      0.00000
    147       3.5068      0.00000
    148       3.5922      0.00000
    149       3.6165      0.00000
    150       3.6329      0.00000
    151       3.6554      0.00000
    152       3.7440      0.00000
    153       3.7612      0.00000
    154       3.7741      0.00000
    155       3.8069      0.00000
    156       3.9035      0.00000
    157       3.9951      0.00000
    158       4.0196      0.00000
    159       4.1950      0.00000
    160       4.2281      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2460      1.00000
      2     -21.8918      1.00000
      3     -21.8215      1.00000
      4     -21.3100      1.00000
      5     -21.2799      1.00000
      6     -20.7688      1.00000
      7     -20.7032      1.00000
      8     -20.5547      1.00000
      9     -20.0073      1.00000
     10     -20.0001      1.00000
     11     -19.6465      1.00000
     12     -19.6223      1.00000
     13     -18.9281      1.00000
     14     -18.9198      1.00000
     15     -18.5695      1.00000
     16     -18.5557      1.00000
     17     -18.3927      1.00000
     18     -17.6136      1.00000
     19     -17.5579      1.00000
     20     -17.5527      1.00000
     21     -17.5112      1.00000
     22     -17.0550      1.00000
     23     -17.0374      1.00000
     24     -16.8911      1.00000
     25     -15.9293      1.00000
     26     -15.8661      1.00000
     27     -15.5153      1.00000
     28     -15.5144      1.00000
     29     -15.2278      1.00000
     30     -14.7937      1.00000
     31     -14.7665      1.00000
     32     -14.5145      1.00000
     33     -14.4706      1.00000
     34     -14.1013      1.00000
     35     -14.0902      1.00000
     36     -13.0761      1.00000
     37     -13.0315      1.00000
     38     -12.9660      1.00000
     39     -12.9543      1.00000
     40     -12.6446      1.00000
     41     -12.6382      1.00000
     42     -12.2731      1.00000
     43     -12.2418      1.00000
     44     -11.5867      1.00000
     45     -11.5607      1.00000
     46     -11.5058      1.00000
     47     -10.9030      1.00000
     48     -10.8505      1.00000
     49     -10.6179      1.00000
     50     -10.5588      1.00000
     51     -10.4842      1.00000
     52     -10.4333      1.00000
     53     -10.4233      1.00000
     54     -10.3710      1.00000
     55     -10.2929      1.00000
     56     -10.0629      1.00000
     57      -9.8321      1.00000
     58      -9.5472      1.00000
     59      -9.4878      1.00000
     60      -9.4670      1.00000
     61      -9.3462      1.00000
     62      -9.3304      1.00000
     63      -9.3099      1.00000
     64      -9.3079      1.00000
     65      -9.2131      1.00000
     66      -9.1117      1.00000
     67      -9.0812      1.00000
     68      -9.0498      1.00000
     69      -8.8444      1.00000
     70      -8.7931      1.00000
     71      -8.7734      1.00000
     72      -8.5262      1.00000
     73      -8.4729      1.00000
     74      -8.2169      1.00000
     75      -8.1094      1.00000
     76      -8.0995      1.00000
     77      -7.8062      1.00000
     78      -7.7833      1.00000
     79      -7.7814      1.00000
     80      -7.6719      1.00000
     81      -7.6318      1.00000
     82      -7.6303      1.00000
     83      -7.4030      1.00000
     84      -7.3241      1.00000
     85      -7.2054      1.00000
     86      -6.8401      1.00000
     87      -6.8297      1.00000
     88      -6.6593      1.00000
     89      -6.5383      1.00000
     90      -6.3444      1.00000
     91      -6.3069      1.00000
     92      -6.1843      1.00000
     93      -6.1479      1.00000
     94      -5.9777      1.00000
     95      -5.5720      1.00000
     96      -5.4259      1.00000
     97      -5.2590      1.00000
     98      -5.2457      1.00000
     99      -5.1489      1.00000
    100      -4.6954      1.00000
    101      -4.6656      1.00000
    102      -4.3498      1.00000
    103      -4.3125      1.00000
    104      -3.9635      1.00000
    105      -3.8230      1.00000
    106      -3.3909      1.00000
    107      -2.2210      0.00000
    108      -1.3776      0.00000
    109      -1.2882      0.00000
    110      -1.1746      0.00000
    111      -1.0794      0.00000
    112      -0.8949      0.00000
    113      -0.7695      0.00000
    114      -0.7587      0.00000
    115      -0.2237      0.00000
    116       0.1117      0.00000
    117       0.2621      0.00000
    118       0.3442      0.00000
    119       0.7444      0.00000
    120       0.9042      0.00000
    121       0.9722      0.00000
    122       1.1000      0.00000
    123       1.2163      0.00000
    124       1.5377      0.00000
    125       1.5892      0.00000
    126       1.7234      0.00000
    127       1.8377      0.00000
    128       1.8614      0.00000
    129       1.9529      0.00000
    130       2.0301      0.00000
    131       2.1508      0.00000
    132       2.2958      0.00000
    133       2.4199      0.00000
    134       2.4757      0.00000
    135       2.4800      0.00000
    136       2.6649      0.00000
    137       2.6874      0.00000
    138       2.7486      0.00000
    139       2.7602      0.00000
    140       2.9102      0.00000
    141       3.0386      0.00000
    142       3.1006      0.00000
    143       3.1766      0.00000
    144       3.2224      0.00000
    145       3.2638      0.00000
    146       3.2852      0.00000
    147       3.3793      0.00000
    148       3.4957      0.00000
    149       3.5529      0.00000
    150       3.7126      0.00000
    151       3.7644      0.00000
    152       3.7698      0.00000
    153       3.8347      0.00000
    154       3.9009      0.00000
    155       3.9646      0.00000
    156       3.9859      0.00000
    157       4.0057      0.00000
    158       4.0462      0.00000
    159       4.0485      0.00000
    160       4.0873      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1398      1.00000
      2     -22.0453      1.00000
      3     -21.8850      1.00000
      4     -21.3330      1.00000
      5     -20.9801      1.00000
      6     -20.9419      1.00000
      7     -20.4317      1.00000
      8     -20.3894      1.00000
      9     -20.2252      1.00000
     10     -20.2039      1.00000
     11     -19.8876      1.00000
     12     -19.8204      1.00000
     13     -18.8135      1.00000
     14     -18.7429      1.00000
     15     -18.2886      1.00000
     16     -18.2355      1.00000
     17     -18.0849      1.00000
     18     -18.0650      1.00000
     19     -17.7605      1.00000
     20     -17.7183      1.00000
     21     -17.1881      1.00000
     22     -17.1696      1.00000
     23     -17.0992      1.00000
     24     -17.0633      1.00000
     25     -16.0366      1.00000
     26     -15.8219      1.00000
     27     -15.7987      1.00000
     28     -15.7643      1.00000
     29     -15.1734      1.00000
     30     -14.4904      1.00000
     31     -14.4580      1.00000
     32     -14.2177      1.00000
     33     -13.8945      1.00000
     34     -13.8897      1.00000
     35     -13.7556      1.00000
     36     -13.7359      1.00000
     37     -13.5512      1.00000
     38     -13.5028      1.00000
     39     -13.2986      1.00000
     40     -12.5632      1.00000
     41     -12.1246      1.00000
     42     -12.0660      1.00000
     43     -12.0090      1.00000
     44     -11.9509      1.00000
     45     -11.6104      1.00000
     46     -11.5880      1.00000
     47     -11.0847      1.00000
     48     -11.0521      1.00000
     49     -10.7513      1.00000
     50     -10.6638      1.00000
     51     -10.5219      1.00000
     52     -10.1480      1.00000
     53     -10.1381      1.00000
     54     -10.0951      1.00000
     55      -9.9526      1.00000
     56      -9.9467      1.00000
     57      -9.9168      1.00000
     58      -9.7375      1.00000
     59      -9.7307      1.00000
     60      -9.7010      1.00000
     61      -9.6910      1.00000
     62      -9.4264      1.00000
     63      -9.3624      1.00000
     64      -9.0828      1.00000
     65      -9.0062      1.00000
     66      -8.9748      1.00000
     67      -8.8882      1.00000
     68      -8.8106      1.00000
     69      -8.6571      1.00000
     70      -8.6348      1.00000
     71      -8.5748      1.00000
     72      -8.4784      1.00000
     73      -8.4672      1.00000
     74      -8.3979      1.00000
     75      -8.3944      1.00000
     76      -8.1831      1.00000
     77      -8.1110      1.00000
     78      -7.9768      1.00000
     79      -7.9119      1.00000
     80      -7.8470      1.00000
     81      -7.6149      1.00000
     82      -7.5300      1.00000
     83      -7.4697      1.00000
     84      -7.2648      1.00000
     85      -6.9347      1.00000
     86      -6.8586      1.00000
     87      -6.8119      1.00000
     88      -6.5721      1.00000
     89      -6.4673      1.00000
     90      -6.4212      1.00000
     91      -6.3568      1.00000
     92      -6.0504      1.00000
     93      -5.8768      1.00000
     94      -5.7528      1.00000
     95      -5.7216      1.00000
     96      -5.4757      1.00000
     97      -5.3455      1.00000
     98      -5.1803      1.00000
     99      -5.1562      1.00000
    100      -5.1549      1.00000
    101      -4.7067      1.00000
    102      -4.4410      1.00000
    103      -4.2529      1.00000
    104      -3.9946      1.00000
    105      -3.8219      1.00000
    106      -3.1573      1.00000
    107      -2.4641      0.00000
    108      -1.3801      0.00000
    109      -1.2422      0.00000
    110      -1.1474      0.00000
    111      -1.1159      0.00000
    112      -0.5664      0.00000
    113      -0.4363      0.00000
    114      -0.4318      0.00000
    115      -0.3117      0.00000
    116      -0.1923      0.00000
    117       0.0602      0.00000
    118       0.1143      0.00000
    119       0.5389      0.00000
    120       0.6824      0.00000
    121       0.8805      0.00000
    122       0.9786      0.00000
    123       1.1204      0.00000
    124       1.5045      0.00000
    125       1.6770      0.00000
    126       1.8384      0.00000
    127       1.8950      0.00000
    128       2.1000      0.00000
    129       2.1182      0.00000
    130       2.1749      0.00000
    131       2.2189      0.00000
    132       2.3359      0.00000
    133       2.3392      0.00000
    134       2.4842      0.00000
    135       2.5662      0.00000
    136       2.6872      0.00000
    137       2.8891      0.00000
    138       2.9366      0.00000
    139       2.9786      0.00000
    140       3.0168      0.00000
    141       3.0611      0.00000
    142       3.1492      0.00000
    143       3.1669      0.00000
    144       3.2634      0.00000
    145       3.3041      0.00000
    146       3.3424      0.00000
    147       3.3527      0.00000
    148       3.3883      0.00000
    149       3.4252      0.00000
    150       3.5115      0.00000
    151       3.5639      0.00000
    152       3.6327      0.00000
    153       3.6646      0.00000
    154       3.7068      0.00000
    155       3.7266      0.00000
    156       3.9328      0.00000
    157       3.9529      0.00000
    158       4.0760      0.00000
    159       4.1167      0.00000
    160       4.2282      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2459      1.00000
      2     -21.8932      1.00000
      3     -21.8201      1.00000
      4     -21.3145      1.00000
      5     -21.2759      1.00000
      6     -20.7698      1.00000
      7     -20.7013      1.00000
      8     -20.5531      1.00000
      9     -20.0213      1.00000
     10     -19.9892      1.00000
     11     -19.6490      1.00000
     12     -19.6181      1.00000
     13     -18.9420      1.00000
     14     -18.9076      1.00000
     15     -18.5829      1.00000
     16     -18.5456      1.00000
     17     -18.3911      1.00000
     18     -17.6008      1.00000
     19     -17.5699      1.00000
     20     -17.5406      1.00000
     21     -17.5079      1.00000
     22     -17.0735      1.00000
     23     -17.0268      1.00000
     24     -16.8997      1.00000
     25     -15.9450      1.00000
     26     -15.8499      1.00000
     27     -15.5322      1.00000
     28     -15.5058      1.00000
     29     -15.2088      1.00000
     30     -14.8130      1.00000
     31     -14.7608      1.00000
     32     -14.5090      1.00000
     33     -14.4676      1.00000
     34     -14.0955      1.00000
     35     -14.0925      1.00000
     36     -13.1041      1.00000
     37     -13.0287      1.00000
     38     -12.9565      1.00000
     39     -12.9494      1.00000
     40     -12.6553      1.00000
     41     -12.6272      1.00000
     42     -12.2731      1.00000
     43     -12.2461      1.00000
     44     -11.5725      1.00000
     45     -11.5534      1.00000
     46     -11.4998      1.00000
     47     -10.8771      1.00000
     48     -10.8676      1.00000
     49     -10.6781      1.00000
     50     -10.5253      1.00000
     51     -10.5194      1.00000
     52     -10.4329      1.00000
     53     -10.4157      1.00000
     54     -10.3702      1.00000
     55     -10.2877      1.00000
     56     -10.0584      1.00000
     57      -9.8309      1.00000
     58      -9.5577      1.00000
     59      -9.4846      1.00000
     60      -9.4420      1.00000
     61      -9.3550      1.00000
     62      -9.3391      1.00000
     63      -9.3078      1.00000
     64      -9.3023      1.00000
     65      -9.2050      1.00000
     66      -9.0994      1.00000
     67      -9.0686      1.00000
     68      -9.0489      1.00000
     69      -8.8470      1.00000
     70      -8.7963      1.00000
     71      -8.7773      1.00000
     72      -8.5259      1.00000
     73      -8.4938      1.00000
     74      -8.2217      1.00000
     75      -8.1291      1.00000
     76      -8.0929      1.00000
     77      -7.8064      1.00000
     78      -7.7678      1.00000
     79      -7.7395      1.00000
     80      -7.7004      1.00000
     81      -7.6361      1.00000
     82      -7.6249      1.00000
     83      -7.3888      1.00000
     84      -7.3445      1.00000
     85      -7.2242      1.00000
     86      -6.8440      1.00000
     87      -6.8213      1.00000
     88      -6.6377      1.00000
     89      -6.5291      1.00000
     90      -6.3424      1.00000
     91      -6.2726      1.00000
     92      -6.1948      1.00000
     93      -6.1323      1.00000
     94      -6.0199      1.00000
     95      -5.6343      1.00000
     96      -5.5083      1.00000
     97      -5.2977      1.00000
     98      -5.1563      1.00000
     99      -5.0398      1.00000
    100      -4.7249      1.00000
    101      -4.6858      1.00000
    102      -4.3682      1.00000
    103      -4.1832      1.00000
    104      -4.0076      1.00000
    105      -3.8214      1.00000
    106      -3.4849      1.00000
    107      -2.1657      0.00000
    108      -1.3846      0.00000
    109      -1.2367      0.00000
    110      -1.1864      0.00000
    111      -1.0155      0.00000
    112      -0.9571      0.00000
    113      -0.7987      0.00000
    114      -0.7536      0.00000
    115      -0.3701      0.00000
    116       0.2439      0.00000
    117       0.2751      0.00000
    118       0.3621      0.00000
    119       0.7103      0.00000
    120       0.8684      0.00000
    121       0.9644      0.00000
    122       1.1333      0.00000
    123       1.2464      0.00000
    124       1.4610      0.00000
    125       1.5846      0.00000
    126       1.7854      0.00000
    127       1.8476      0.00000
    128       1.8740      0.00000
    129       2.0032      0.00000
    130       2.0430      0.00000
    131       2.1853      0.00000
    132       2.2349      0.00000
    133       2.4135      0.00000
    134       2.4240      0.00000
    135       2.5158      0.00000
    136       2.6587      0.00000
    137       2.6834      0.00000
    138       2.7431      0.00000
    139       2.7876      0.00000
    140       2.8775      0.00000
    141       2.9884      0.00000
    142       3.0990      0.00000
    143       3.1654      0.00000
    144       3.2187      0.00000
    145       3.2675      0.00000
    146       3.3048      0.00000
    147       3.3517      0.00000
    148       3.4963      0.00000
    149       3.5361      0.00000
    150       3.7202      0.00000
    151       3.7381      0.00000
    152       3.7700      0.00000
    153       3.8687      0.00000
    154       3.8811      0.00000
    155       3.9101      0.00000
    156       3.9793      0.00000
    157       4.0114      0.00000
    158       4.0512      0.00000
    159       4.0553      0.00000
    160       4.0951      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3179      1.00000
      2     -21.7597      1.00000
      3     -21.5662      1.00000
      4     -21.5391      1.00000
      5     -21.2033      1.00000
      6     -21.1647      1.00000
      7     -20.9844      1.00000
      8     -20.0971      1.00000
      9     -20.0587      1.00000
     10     -19.5449      1.00000
     11     -19.5249      1.00000
     12     -19.3438      1.00000
     13     -19.0267      1.00000
     14     -18.9870      1.00000
     15     -18.9766      1.00000
     16     -18.9710      1.00000
     17     -18.2949      1.00000
     18     -18.2815      1.00000
     19     -17.9456      1.00000
     20     -16.9996      1.00000
     21     -16.9592      1.00000
     22     -16.8822      1.00000
     23     -16.8694      1.00000
     24     -16.4153      1.00000
     25     -16.3929      1.00000
     26     -15.5398      1.00000
     27     -15.5365      1.00000
     28     -15.1723      1.00000
     29     -15.1707      1.00000
     30     -15.1302      1.00000
     31     -15.0357      1.00000
     32     -15.0007      1.00000
     33     -14.6326      1.00000
     34     -14.6258      1.00000
     35     -13.6622      1.00000
     36     -13.6525      1.00000
     37     -13.1708      1.00000
     38     -12.5724      1.00000
     39     -12.5135      1.00000
     40     -12.3850      1.00000
     41     -12.3844      1.00000
     42     -12.0352      1.00000
     43     -12.0313      1.00000
     44     -11.6539      1.00000
     45     -11.6139      1.00000
     46     -11.2053      1.00000
     47     -11.1573      1.00000
     48     -10.9545      1.00000
     49     -10.9420      1.00000
     50     -10.8597      1.00000
     51     -10.8276      1.00000
     52     -10.6207      1.00000
     53     -10.1451      1.00000
     54     -10.0841      1.00000
     55     -10.0251      1.00000
     56      -9.9440      1.00000
     57      -9.6303      1.00000
     58      -9.6292      1.00000
     59      -9.6023      1.00000
     60      -9.5402      1.00000
     61      -9.5034      1.00000
     62      -9.4786      1.00000
     63      -9.2708      1.00000
     64      -9.2355      1.00000
     65      -9.2066      1.00000
     66      -9.1790      1.00000
     67      -9.0616      1.00000
     68      -9.0471      1.00000
     69      -9.0436      1.00000
     70      -8.8759      1.00000
     71      -8.8083      1.00000
     72      -8.5332      1.00000
     73      -8.5320      1.00000
     74      -8.4935      1.00000
     75      -8.0318      1.00000
     76      -7.8318      1.00000
     77      -7.7967      1.00000
     78      -7.7738      1.00000
     79      -7.7036      1.00000
     80      -7.6851      1.00000
     81      -7.4183      1.00000
     82      -7.2876      1.00000
     83      -7.2522      1.00000
     84      -7.2022      1.00000
     85      -7.0803      1.00000
     86      -7.0781      1.00000
     87      -6.9386      1.00000
     88      -6.7097      1.00000
     89      -6.6736      1.00000
     90      -6.6291      1.00000
     91      -6.5574      1.00000
     92      -6.0720      1.00000
     93      -6.0315      1.00000
     94      -6.0012      1.00000
     95      -5.9379      1.00000
     96      -5.7989      1.00000
     97      -5.1783      1.00000
     98      -4.8934      1.00000
     99      -4.7931      1.00000
    100      -4.6114      1.00000
    101      -4.5128      1.00000
    102      -4.1396      1.00000
    103      -4.0906      1.00000
    104      -3.9311      1.00000
    105      -3.9162      1.00000
    106      -3.8208      1.00000
    107      -1.7531      0.00000
    108      -1.6975      0.00000
    109      -1.4115      0.00000
    110      -1.3719      0.00000
    111      -1.2657      0.00000
    112      -1.2373      0.00000
    113      -0.6276      0.00000
    114      -0.5999      0.00000
    115      -0.1911      0.00000
    116       0.0388      0.00000
    117       0.5928      0.00000
    118       0.7421      0.00000
    119       0.8474      0.00000
    120       0.9291      0.00000
    121       1.1654      0.00000
    122       1.2152      0.00000
    123       1.2490      0.00000
    124       1.4391      0.00000
    125       1.6034      0.00000
    126       1.6535      0.00000
    127       1.7174      0.00000
    128       1.7886      0.00000
    129       1.9175      0.00000
    130       1.9378      0.00000
    131       2.1521      0.00000
    132       2.1877      0.00000
    133       2.2672      0.00000
    134       2.3250      0.00000
    135       2.5620      0.00000
    136       2.5906      0.00000
    137       2.6081      0.00000
    138       2.7703      0.00000
    139       2.8074      0.00000
    140       2.8124      0.00000
    141       2.8921      0.00000
    142       2.9238      0.00000
    143       3.0325      0.00000
    144       3.0537      0.00000
    145       3.1211      0.00000
    146       3.3167      0.00000
    147       3.3339      0.00000
    148       3.3937      0.00000
    149       3.4925      0.00000
    150       3.5960      0.00000
    151       3.6645      0.00000
    152       3.6687      0.00000
    153       3.6861      0.00000
    154       3.9129      0.00000
    155       3.9860      0.00000
    156       4.0267      0.00000
    157       4.0924      0.00000
    158       4.2607      0.00000
    159       4.2665      0.00000
    160       4.2756      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1389      1.00000
      2     -22.0466      1.00000
      3     -21.8845      1.00000
      4     -21.3339      1.00000
      5     -20.9752      1.00000
      6     -20.9459      1.00000
      7     -20.4265      1.00000
      8     -20.3947      1.00000
      9     -20.2148      1.00000
     10     -20.2130      1.00000
     11     -19.8865      1.00000
     12     -19.8229      1.00000
     13     -18.8164      1.00000
     14     -18.7459      1.00000
     15     -18.2649      1.00000
     16     -18.2508      1.00000
     17     -18.0794      1.00000
     18     -18.0729      1.00000
     19     -17.7451      1.00000
     20     -17.7294      1.00000
     21     -17.1942      1.00000
     22     -17.1711      1.00000
     23     -17.0886      1.00000
     24     -17.0673      1.00000
     25     -16.0528      1.00000
     26     -15.8074      1.00000
     27     -15.7979      1.00000
     28     -15.7773      1.00000
     29     -15.1591      1.00000
     30     -14.4849      1.00000
     31     -14.4637      1.00000
     32     -14.2042      1.00000
     33     -13.9160      1.00000
     34     -13.8864      1.00000
     35     -13.7591      1.00000
     36     -13.7388      1.00000
     37     -13.5359      1.00000
     38     -13.5101      1.00000
     39     -13.3001      1.00000
     40     -12.5756      1.00000
     41     -12.1010      1.00000
     42     -12.0769      1.00000
     43     -11.9975      1.00000
     44     -11.9501      1.00000
     45     -11.6056      1.00000
     46     -11.5982      1.00000
     47     -11.0837      1.00000
     48     -11.0611      1.00000
     49     -10.7308      1.00000
     50     -10.6641      1.00000
     51     -10.5538      1.00000
     52     -10.1397      1.00000
     53     -10.1350      1.00000
     54     -10.0996      1.00000
     55      -9.9657      1.00000
     56      -9.9254      1.00000
     57      -9.9208      1.00000
     58      -9.7505      1.00000
     59      -9.7292      1.00000
     60      -9.6977      1.00000
     61      -9.6951      1.00000
     62      -9.3979      1.00000
     63      -9.3886      1.00000
     64      -9.0662      1.00000
     65      -8.9817      1.00000
     66      -8.9815      1.00000
     67      -8.9058      1.00000
     68      -8.8115      1.00000
     69      -8.6492      1.00000
     70      -8.6342      1.00000
     71      -8.5432      1.00000
     72      -8.5015      1.00000
     73      -8.4825      1.00000
     74      -8.3945      1.00000
     75      -8.3827      1.00000
     76      -8.2085      1.00000
     77      -8.0992      1.00000
     78      -8.0062      1.00000
     79      -7.8999      1.00000
     80      -7.8423      1.00000
     81      -7.6205      1.00000
     82      -7.5325      1.00000
     83      -7.4575      1.00000
     84      -7.2607      1.00000
     85      -6.9435      1.00000
     86      -6.8698      1.00000
     87      -6.8112      1.00000
     88      -6.4781      1.00000
     89      -6.4688      1.00000
     90      -6.4101      1.00000
     91      -6.3595      1.00000
     92      -6.1854      1.00000
     93      -5.8580      1.00000
     94      -5.7378      1.00000
     95      -5.7113      1.00000
     96      -5.5217      1.00000
     97      -5.3292      1.00000
     98      -5.1726      1.00000
     99      -5.1679      1.00000
    100      -5.1343      1.00000
    101      -4.6962      1.00000
    102      -4.3491      1.00000
    103      -4.2767      1.00000
    104      -4.0273      1.00000
    105      -3.8228      1.00000
    106      -3.2338      1.00000
    107      -2.4067      0.00000
    108      -1.3466      0.00000
    109      -1.2448      0.00000
    110      -1.1549      0.00000
    111      -1.1097      0.00000
    112      -0.5855      0.00000
    113      -0.5228      0.00000
    114      -0.4354      0.00000
    115      -0.2761      0.00000
    116      -0.0741      0.00000
    117      -0.0133      0.00000
    118       0.0582      0.00000
    119       0.5827      0.00000
    120       0.7087      0.00000
    121       0.8186      0.00000
    122       0.9534      0.00000
    123       1.1936      0.00000
    124       1.5303      0.00000
    125       1.6296      0.00000
    126       1.8862      0.00000
    127       2.0235      0.00000
    128       2.0611      0.00000
    129       2.1060      0.00000
    130       2.1388      0.00000
    131       2.2367      0.00000
    132       2.2854      0.00000
    133       2.3398      0.00000
    134       2.4337      0.00000
    135       2.6117      0.00000
    136       2.7147      0.00000
    137       2.8467      0.00000
    138       2.9128      0.00000
    139       2.9439      0.00000
    140       3.0351      0.00000
    141       3.0668      0.00000
    142       3.1369      0.00000
    143       3.1745      0.00000
    144       3.2385      0.00000
    145       3.3078      0.00000
    146       3.3225      0.00000
    147       3.3613      0.00000
    148       3.3802      0.00000
    149       3.4357      0.00000
    150       3.4589      0.00000
    151       3.5700      0.00000
    152       3.6167      0.00000
    153       3.6681      0.00000
    154       3.7074      0.00000
    155       3.8698      0.00000
    156       3.9197      0.00000
    157       3.9453      0.00000
    158       3.9716      0.00000
    159       4.1800      0.00000
    160       4.2067      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2118      1.00000
      2     -22.0068      1.00000
      3     -21.6448      1.00000
      4     -21.6137      1.00000
      5     -20.9083      1.00000
      6     -20.8680      1.00000
      7     -20.5378      1.00000
      8     -20.5055      1.00000
      9     -20.4988      1.00000
     10     -19.9614      1.00000
     11     -19.4397      1.00000
     12     -19.4179      1.00000
     13     -19.2390      1.00000
     14     -19.2319      1.00000
     15     -18.3752      1.00000
     16     -18.3405      1.00000
     17     -17.8581      1.00000
     18     -17.8421      1.00000
     19     -17.6906      1.00000
     20     -17.6550      1.00000
     21     -17.3718      1.00000
     22     -17.3576      1.00000
     23     -17.2671      1.00000
     24     -16.4128      1.00000
     25     -16.3896      1.00000
     26     -15.9040      1.00000
     27     -15.3427      1.00000
     28     -15.3379      1.00000
     29     -15.0304      1.00000
     30     -15.0208      1.00000
     31     -14.7764      1.00000
     32     -14.7742      1.00000
     33     -14.2372      1.00000
     34     -14.1871      1.00000
     35     -13.3873      1.00000
     36     -13.3337      1.00000
     37     -13.1108      1.00000
     38     -13.1029      1.00000
     39     -12.9169      1.00000
     40     -12.9113      1.00000
     41     -12.5453      1.00000
     42     -12.5377      1.00000
     43     -12.1336      1.00000
     44     -11.5128      1.00000
     45     -11.4687      1.00000
     46     -11.2440      1.00000
     47     -11.2126      1.00000
     48     -11.0864      1.00000
     49     -10.7017      1.00000
     50     -10.5958      1.00000
     51     -10.5074      1.00000
     52     -10.2516      1.00000
     53     -10.2473      1.00000
     54     -10.1203      1.00000
     55     -10.0543      1.00000
     56     -10.0390      1.00000
     57      -9.7829      1.00000
     58      -9.6872      1.00000
     59      -9.6733      1.00000
     60      -9.6378      1.00000
     61      -9.6282      1.00000
     62      -9.5851      1.00000
     63      -9.2955      1.00000
     64      -9.2838      1.00000
     65      -9.2526      1.00000
     66      -9.0598      1.00000
     67      -8.8951      1.00000
     68      -8.8839      1.00000
     69      -8.7180      1.00000
     70      -8.5773      1.00000
     71      -8.5259      1.00000
     72      -8.3496      1.00000
     73      -8.3045      1.00000
     74      -8.2436      1.00000
     75      -8.2382      1.00000
     76      -8.1950      1.00000
     77      -8.1821      1.00000
     78      -8.1698      1.00000
     79      -8.1012      1.00000
     80      -7.6882      1.00000
     81      -7.4233      1.00000
     82      -7.3434      1.00000
     83      -7.2602      1.00000
     84      -7.1697      1.00000
     85      -7.1097      1.00000
     86      -7.0056      1.00000
     87      -6.9035      1.00000
     88      -6.8487      1.00000
     89      -6.5424      1.00000
     90      -6.4997      1.00000
     91      -6.2080      1.00000
     92      -6.2021      1.00000
     93      -5.8947      1.00000
     94      -5.6730      1.00000
     95      -5.6063      1.00000
     96      -5.5804      1.00000
     97      -5.2537      1.00000
     98      -5.2313      1.00000
     99      -5.1652      1.00000
    100      -5.1349      1.00000
    101      -4.5997      1.00000
    102      -4.2470      1.00000
    103      -4.0438      1.00000
    104      -3.8851      1.00000
    105      -3.8372      1.00000
    106      -3.7992      1.00000
    107      -1.8093      0.00000
    108      -1.7823      0.00000
    109      -1.2269      0.00000
    110      -1.1764      0.00000
    111      -0.9751      0.00000
    112      -0.7360      0.00000
    113      -0.6512      0.00000
    114      -0.5951      0.00000
    115      -0.5513      0.00000
    116      -0.1578      0.00000
    117       0.1748      0.00000
    118       0.2861      0.00000
    119       0.7155      0.00000
    120       0.9583      0.00000
    121       1.1700      0.00000
    122       1.2759      0.00000
    123       1.3558      0.00000
    124       1.5248      0.00000
    125       1.6164      0.00000
    126       1.6369      0.00000
    127       1.6944      0.00000
    128       1.7817      0.00000
    129       1.8785      0.00000
    130       2.0503      0.00000
    131       2.1715      0.00000
    132       2.2916      0.00000
    133       2.4215      0.00000
    134       2.4217      0.00000
    135       2.5761      0.00000
    136       2.6396      0.00000
    137       2.6960      0.00000
    138       2.7106      0.00000
    139       2.7881      0.00000
    140       2.9196      0.00000
    141       3.0683      0.00000
    142       3.0734      0.00000
    143       3.2060      0.00000
    144       3.2927      0.00000
    145       3.4053      0.00000
    146       3.4246      0.00000
    147       3.4678      0.00000
    148       3.5565      0.00000
    149       3.5979      0.00000
    150       3.6420      0.00000
    151       3.6768      0.00000
    152       3.6999      0.00000
    153       3.7686      0.00000
    154       3.7717      0.00000
    155       3.8425      0.00000
    156       3.9159      0.00000
    157       3.9176      0.00000
    158       3.9833      0.00000
    159       4.2046      0.00000
    160       4.2419      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3545      1.00000
      2     -21.5343      1.00000
      3     -21.4053      1.00000
      4     -21.4046      1.00000
      5     -21.3734      1.00000
      6     -21.3644      1.00000
      7     -21.3571      1.00000
      8     -19.6443      1.00000
      9     -19.5709      1.00000
     10     -19.5639      1.00000
     11     -19.5574      1.00000
     12     -19.5392      1.00000
     13     -19.5363      1.00000
     14     -18.7267      1.00000
     15     -18.6787      1.00000
     16     -18.6711      1.00000
     17     -18.6576      1.00000
     18     -18.6422      1.00000
     19     -18.6407      1.00000
     20     -16.5850      1.00000
     21     -16.5261      1.00000
     22     -16.5236      1.00000
     23     -16.5108      1.00000
     24     -16.4868      1.00000
     25     -16.4849      1.00000
     26     -15.5573      1.00000
     27     -15.5252      1.00000
     28     -15.5245      1.00000
     29     -15.4989      1.00000
     30     -15.4941      1.00000
     31     -15.4880      1.00000
     32     -14.2054      1.00000
     33     -14.1796      1.00000
     34     -14.1668      1.00000
     35     -14.1646      1.00000
     36     -14.1594      1.00000
     37     -14.1483      1.00000
     38     -11.8821      1.00000
     39     -11.8080      1.00000
     40     -11.7922      1.00000
     41     -11.7920      1.00000
     42     -11.7889      1.00000
     43     -11.7831      1.00000
     44     -11.7039      1.00000
     45     -11.6976      1.00000
     46     -11.6723      1.00000
     47     -11.6572      1.00000
     48     -11.6571      1.00000
     49     -11.6502      1.00000
     50     -10.6689      1.00000
     51     -10.3285      1.00000
     52     -10.3204      1.00000
     53     -10.3051      1.00000
     54     -10.3037      1.00000
     55     -10.2905      1.00000
     56     -10.2776      1.00000
     57      -9.9223      1.00000
     58      -9.3713      1.00000
     59      -9.3583      1.00000
     60      -9.2993      1.00000
     61      -9.2911      1.00000
     62      -9.2843      1.00000
     63      -9.0915      1.00000
     64      -9.0537      1.00000
     65      -9.0493      1.00000
     66      -9.0266      1.00000
     67      -9.0071      1.00000
     68      -9.0022      1.00000
     69      -9.0008      1.00000
     70      -8.9949      1.00000
     71      -8.9922      1.00000
     72      -8.9729      1.00000
     73      -8.9652      1.00000
     74      -8.9547      1.00000
     75      -8.4853      1.00000
     76      -7.5170      1.00000
     77      -7.4104      1.00000
     78      -7.4102      1.00000
     79      -7.3973      1.00000
     80      -7.3842      1.00000
     81      -7.3646      1.00000
     82      -7.3419      1.00000
     83      -7.3110      1.00000
     84      -7.2662      1.00000
     85      -7.2061      1.00000
     86      -7.1798      1.00000
     87      -7.1793      1.00000
     88      -7.0794      1.00000
     89      -6.5067      1.00000
     90      -6.4605      1.00000
     91      -6.3547      1.00000
     92      -6.2938      1.00000
     93      -6.2878      1.00000
     94      -6.2864      1.00000
     95      -5.8982      1.00000
     96      -5.8855      1.00000
     97      -5.0412      1.00000
     98      -4.9367      1.00000
     99      -4.5373      1.00000
    100      -4.3413      1.00000
    101      -4.3187      1.00000
    102      -4.3176      1.00000
    103      -4.1163      1.00000
    104      -3.9122      1.00000
    105      -3.9012      1.00000
    106      -3.8266      1.00000
    107      -1.6828      0.00000
    108      -1.6685      0.00000
    109      -1.5381      0.00000
    110      -1.5365      0.00000
    111      -1.5243      0.00000
    112      -1.5103      0.00000
    113      -0.5902      0.00000
    114       0.1324      0.00000
    115       0.2057      0.00000
    116       0.3230      0.00000
    117       0.3249      0.00000
    118       0.3323      0.00000
    119       0.4924      0.00000
    120       0.6082      0.00000
    121       1.2607      0.00000
    122       1.2883      0.00000
    123       1.5435      0.00000
    124       1.7631      0.00000
    125       1.8155      0.00000
    126       1.8189      0.00000
    127       1.8246      0.00000
    128       1.9460      0.00000
    129       1.9915      0.00000
    130       2.0295      0.00000
    131       2.0432      0.00000
    132       2.0483      0.00000
    133       2.0554      0.00000
    134       2.0648      0.00000
    135       2.3184      0.00000
    136       2.3273      0.00000
    137       2.6472      0.00000
    138       2.6551      0.00000
    139       2.6877      0.00000
    140       2.7464      0.00000
    141       2.8856      0.00000
    142       3.0019      0.00000
    143       3.0205      0.00000
    144       3.0504      0.00000
    145       3.0534      0.00000
    146       3.0542      0.00000
    147       3.0910      0.00000
    148       3.2524      0.00000
    149       3.4450      0.00000
    150       3.5584      0.00000
    151       3.7857      0.00000
    152       3.9515      0.00000
    153       3.9745      0.00000
    154       3.9785      0.00000
    155       3.9836      0.00000
    156       4.0094      0.00000
    157       4.1901      0.00000
    158       4.2701      0.00000
    159       4.2930      0.00000
    160       4.2943      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3179      1.00000
      2     -21.7594      1.00000
      3     -21.5689      1.00000
      4     -21.5362      1.00000
      5     -21.2061      1.00000
      6     -21.1614      1.00000
      7     -20.9857      1.00000
      8     -20.1001      1.00000
      9     -20.0563      1.00000
     10     -19.5448      1.00000
     11     -19.5204      1.00000
     12     -19.3478      1.00000
     13     -19.0233      1.00000
     14     -18.9884      1.00000
     15     -18.9803      1.00000
     16     -18.9681      1.00000
     17     -18.2963      1.00000
     18     -18.2772      1.00000
     19     -17.9511      1.00000
     20     -17.0087      1.00000
     21     -16.9590      1.00000
     22     -16.8780      1.00000
     23     -16.8684      1.00000
     24     -16.4043      1.00000
     25     -16.3897      1.00000
     26     -15.5509      1.00000
     27     -15.5349      1.00000
     28     -15.1968      1.00000
     29     -15.1684      1.00000
     30     -15.1138      1.00000
     31     -15.0269      1.00000
     32     -15.0023      1.00000
     33     -14.6355      1.00000
     34     -14.6238      1.00000
     35     -13.6668      1.00000
     36     -13.6516      1.00000
     37     -13.1691      1.00000
     38     -12.5505      1.00000
     39     -12.5178      1.00000
     40     -12.3901      1.00000
     41     -12.3770      1.00000
     42     -12.0569      1.00000
     43     -12.0344      1.00000
     44     -11.6583      1.00000
     45     -11.6166      1.00000
     46     -11.1804      1.00000
     47     -11.1569      1.00000
     48     -10.9639      1.00000
     49     -10.9401      1.00000
     50     -10.8725      1.00000
     51     -10.8367      1.00000
     52     -10.5991      1.00000
     53     -10.0925      1.00000
     54     -10.0880      1.00000
     55     -10.0449      1.00000
     56      -9.9689      1.00000
     57      -9.6533      1.00000
     58      -9.6288      1.00000
     59      -9.5912      1.00000
     60      -9.5288      1.00000
     61      -9.5111      1.00000
     62      -9.4788      1.00000
     63      -9.2627      1.00000
     64      -9.2408      1.00000
     65      -9.2202      1.00000
     66      -9.1662      1.00000
     67      -9.0675      1.00000
     68      -9.0465      1.00000
     69      -9.0410      1.00000
     70      -8.8814      1.00000
     71      -8.8063      1.00000
     72      -8.5746      1.00000
     73      -8.5226      1.00000
     74      -8.4531      1.00000
     75      -8.0355      1.00000
     76      -7.8093      1.00000
     77      -7.8062      1.00000
     78      -7.7923      1.00000
     79      -7.7003      1.00000
     80      -7.6909      1.00000
     81      -7.3678      1.00000
     82      -7.2730      1.00000
     83      -7.2649      1.00000
     84      -7.2170      1.00000
     85      -7.1725      1.00000
     86      -7.0088      1.00000
     87      -6.9480      1.00000
     88      -6.7452      1.00000
     89      -6.6716      1.00000
     90      -6.5944      1.00000
     91      -6.5592      1.00000
     92      -6.0509      1.00000
     93      -6.0463      1.00000
     94      -6.0217      1.00000
     95      -5.9596      1.00000
     96      -5.7364      1.00000
     97      -5.1516      1.00000
     98      -4.9889      1.00000
     99      -4.7182      1.00000
    100      -4.6113      1.00000
    101      -4.4391      1.00000
    102      -4.3736      1.00000
    103      -4.1216      1.00000
    104      -3.8681      1.00000
    105      -3.8275      1.00000
    106      -3.7904      1.00000
    107      -1.7860      0.00000
    108      -1.7399      0.00000
    109      -1.3960      0.00000
    110      -1.3472      0.00000
    111      -1.2659      0.00000
    112      -1.2273      0.00000
    113      -0.7476      0.00000
    114      -0.3818      0.00000
    115      -0.2218      0.00000
    116      -0.0218      0.00000
    117       0.5967      0.00000
    118       0.7397      0.00000
    119       0.7641      0.00000
    120       1.0494      0.00000
    121       1.1401      0.00000
    122       1.2506      0.00000
    123       1.2790      0.00000
    124       1.4234      0.00000
    125       1.4907      0.00000
    126       1.6029      0.00000
    127       1.7498      0.00000
    128       1.8406      0.00000
    129       1.8931      0.00000
    130       1.9612      0.00000
    131       2.1004      0.00000
    132       2.2550      0.00000
    133       2.2622      0.00000
    134       2.3219      0.00000
    135       2.5015      0.00000
    136       2.6010      0.00000
    137       2.6507      0.00000
    138       2.7848      0.00000
    139       2.8016      0.00000
    140       2.8239      0.00000
    141       2.8699      0.00000
    142       2.8865      0.00000
    143       2.9446      0.00000
    144       3.1162      0.00000
    145       3.2967      0.00000
    146       3.3141      0.00000
    147       3.3517      0.00000
    148       3.3761      0.00000
    149       3.4801      0.00000
    150       3.5824      0.00000
    151       3.6304      0.00000
    152       3.6852      0.00000
    153       3.7204      0.00000
    154       3.9269      0.00000
    155       3.9419      0.00000
    156       3.9947      0.00000
    157       4.0871      0.00000
    158       4.2177      0.00000
    159       4.2675      0.00000
    160       4.3058      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2122      1.00000
      2     -22.0062      1.00000
      3     -21.6475      1.00000
      4     -21.6106      1.00000
      5     -20.9113      1.00000
      6     -20.8652      1.00000
      7     -20.5441      1.00000
      8     -20.5049      1.00000
      9     -20.4946      1.00000
     10     -19.9622      1.00000
     11     -19.4410      1.00000
     12     -19.4142      1.00000
     13     -19.2405      1.00000
     14     -19.2261      1.00000
     15     -18.3829      1.00000
     16     -18.3390      1.00000
     17     -17.8591      1.00000
     18     -17.8382      1.00000
     19     -17.6969      1.00000
     20     -17.6545      1.00000
     21     -17.3713      1.00000
     22     -17.3555      1.00000
     23     -17.2738      1.00000
     24     -16.4007      1.00000
     25     -16.3861      1.00000
     26     -15.8954      1.00000
     27     -15.3517      1.00000
     28     -15.3363      1.00000
     29     -15.0340      1.00000
     30     -15.0202      1.00000
     31     -14.7992      1.00000
     32     -14.7747      1.00000
     33     -14.2213      1.00000
     34     -14.1896      1.00000
     35     -13.3705      1.00000
     36     -13.3371      1.00000
     37     -13.1194      1.00000
     38     -13.1021      1.00000
     39     -12.9150      1.00000
     40     -12.9017      1.00000
     41     -12.5564      1.00000
     42     -12.5387      1.00000
     43     -12.1328      1.00000
     44     -11.5209      1.00000
     45     -11.4735      1.00000
     46     -11.2528      1.00000
     47     -11.2194      1.00000
     48     -11.0793      1.00000
     49     -10.6565      1.00000
     50     -10.5889      1.00000
     51     -10.5213      1.00000
     52     -10.2571      1.00000
     53     -10.2488      1.00000
     54     -10.1214      1.00000
     55     -10.0489      1.00000
     56     -10.0413      1.00000
     57      -9.7675      1.00000
     58      -9.7046      1.00000
     59      -9.6797      1.00000
     60      -9.6306      1.00000
     61      -9.6260      1.00000
     62      -9.5869      1.00000
     63      -9.2940      1.00000
     64      -9.2850      1.00000
     65      -9.2531      1.00000
     66      -9.0830      1.00000
     67      -8.8968      1.00000
     68      -8.8832      1.00000
     69      -8.7238      1.00000
     70      -8.5857      1.00000
     71      -8.5141      1.00000
     72      -8.3300      1.00000
     73      -8.3018      1.00000
     74      -8.2646      1.00000
     75      -8.2330      1.00000
     76      -8.1955      1.00000
     77      -8.1866      1.00000
     78      -8.1711      1.00000
     79      -8.0944      1.00000
     80      -7.6874      1.00000
     81      -7.3600      1.00000
     82      -7.3109      1.00000
     83      -7.2659      1.00000
     84      -7.1874      1.00000
     85      -7.1262      1.00000
     86      -7.0764      1.00000
     87      -6.9066      1.00000
     88      -6.8823      1.00000
     89      -6.5500      1.00000
     90      -6.4932      1.00000
     91      -6.2105      1.00000
     92      -6.0685      1.00000
     93      -5.9410      1.00000
     94      -5.7133      1.00000
     95      -5.6329      1.00000
     96      -5.4521      1.00000
     97      -5.3044      1.00000
     98      -5.2343      1.00000
     99      -5.1523      1.00000
    100      -5.1518      1.00000
    101      -4.5195      1.00000
    102      -4.4704      1.00000
    103      -4.1410      1.00000
    104      -3.8305      1.00000
    105      -3.7571      1.00000
    106      -3.6805      1.00000
    107      -1.8718      0.00000
    108      -1.8253      0.00000
    109      -1.2788      0.00000
    110      -1.0373      0.00000
    111      -1.0131      0.00000
    112      -0.7143      0.00000
    113      -0.6412      0.00000
    114      -0.5896      0.00000
    115      -0.5476      0.00000
    116      -0.2073      0.00000
    117       0.2506      0.00000
    118       0.2769      0.00000
    119       0.7700      0.00000
    120       0.9512      0.00000
    121       1.1354      0.00000
    122       1.2316      0.00000
    123       1.3236      0.00000
    124       1.4178      0.00000
    125       1.6124      0.00000
    126       1.6343      0.00000
    127       1.7249      0.00000
    128       1.8203      0.00000
    129       1.9375      0.00000
    130       2.0370      0.00000
    131       2.0766      0.00000
    132       2.2928      0.00000
    133       2.3992      0.00000
    134       2.4525      0.00000
    135       2.5574      0.00000
    136       2.6465      0.00000
    137       2.7194      0.00000
    138       2.7911      0.00000
    139       2.8482      0.00000
    140       2.8993      0.00000
    141       3.0587      0.00000
    142       3.1054      0.00000
    143       3.2092      0.00000
    144       3.2543      0.00000
    145       3.3985      0.00000
    146       3.4328      0.00000
    147       3.5068      0.00000
    148       3.5922      0.00000
    149       3.6165      0.00000
    150       3.6329      0.00000
    151       3.6554      0.00000
    152       3.7440      0.00000
    153       3.7612      0.00000
    154       3.7740      0.00000
    155       3.8068      0.00000
    156       3.9035      0.00000
    157       3.9951      0.00000
    158       4.0196      0.00000
    159       4.1950      0.00000
    160       4.2281      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2460      1.00000
      2     -21.8918      1.00000
      3     -21.8215      1.00000
      4     -21.3100      1.00000
      5     -21.2799      1.00000
      6     -20.7688      1.00000
      7     -20.7032      1.00000
      8     -20.5547      1.00000
      9     -20.0073      1.00000
     10     -20.0001      1.00000
     11     -19.6465      1.00000
     12     -19.6223      1.00000
     13     -18.9281      1.00000
     14     -18.9198      1.00000
     15     -18.5695      1.00000
     16     -18.5557      1.00000
     17     -18.3927      1.00000
     18     -17.6136      1.00000
     19     -17.5579      1.00000
     20     -17.5527      1.00000
     21     -17.5112      1.00000
     22     -17.0550      1.00000
     23     -17.0374      1.00000
     24     -16.8911      1.00000
     25     -15.9293      1.00000
     26     -15.8661      1.00000
     27     -15.5153      1.00000
     28     -15.5144      1.00000
     29     -15.2278      1.00000
     30     -14.7937      1.00000
     31     -14.7665      1.00000
     32     -14.5145      1.00000
     33     -14.4706      1.00000
     34     -14.1013      1.00000
     35     -14.0902      1.00000
     36     -13.0761      1.00000
     37     -13.0315      1.00000
     38     -12.9660      1.00000
     39     -12.9543      1.00000
     40     -12.6446      1.00000
     41     -12.6382      1.00000
     42     -12.2731      1.00000
     43     -12.2418      1.00000
     44     -11.5867      1.00000
     45     -11.5607      1.00000
     46     -11.5058      1.00000
     47     -10.9030      1.00000
     48     -10.8505      1.00000
     49     -10.6179      1.00000
     50     -10.5588      1.00000
     51     -10.4842      1.00000
     52     -10.4333      1.00000
     53     -10.4233      1.00000
     54     -10.3710      1.00000
     55     -10.2929      1.00000
     56     -10.0629      1.00000
     57      -9.8321      1.00000
     58      -9.5472      1.00000
     59      -9.4878      1.00000
     60      -9.4670      1.00000
     61      -9.3462      1.00000
     62      -9.3304      1.00000
     63      -9.3099      1.00000
     64      -9.3079      1.00000
     65      -9.2131      1.00000
     66      -9.1117      1.00000
     67      -9.0812      1.00000
     68      -9.0498      1.00000
     69      -8.8444      1.00000
     70      -8.7931      1.00000
     71      -8.7734      1.00000
     72      -8.5262      1.00000
     73      -8.4729      1.00000
     74      -8.2169      1.00000
     75      -8.1094      1.00000
     76      -8.0995      1.00000
     77      -7.8062      1.00000
     78      -7.7833      1.00000
     79      -7.7814      1.00000
     80      -7.6719      1.00000
     81      -7.6318      1.00000
     82      -7.6303      1.00000
     83      -7.4030      1.00000
     84      -7.3241      1.00000
     85      -7.2054      1.00000
     86      -6.8401      1.00000
     87      -6.8297      1.00000
     88      -6.6593      1.00000
     89      -6.5383      1.00000
     90      -6.3444      1.00000
     91      -6.3069      1.00000
     92      -6.1843      1.00000
     93      -6.1479      1.00000
     94      -5.9777      1.00000
     95      -5.5720      1.00000
     96      -5.4259      1.00000
     97      -5.2590      1.00000
     98      -5.2457      1.00000
     99      -5.1489      1.00000
    100      -4.6954      1.00000
    101      -4.6656      1.00000
    102      -4.3498      1.00000
    103      -4.3125      1.00000
    104      -3.9635      1.00000
    105      -3.8230      1.00000
    106      -3.3909      1.00000
    107      -2.2210      0.00000
    108      -1.3776      0.00000
    109      -1.2882      0.00000
    110      -1.1746      0.00000
    111      -1.0794      0.00000
    112      -0.8949      0.00000
    113      -0.7695      0.00000
    114      -0.7587      0.00000
    115      -0.2237      0.00000
    116       0.1117      0.00000
    117       0.2621      0.00000
    118       0.3442      0.00000
    119       0.7444      0.00000
    120       0.9042      0.00000
    121       0.9722      0.00000
    122       1.1000      0.00000
    123       1.2163      0.00000
    124       1.5377      0.00000
    125       1.5892      0.00000
    126       1.7234      0.00000
    127       1.8377      0.00000
    128       1.8614      0.00000
    129       1.9529      0.00000
    130       2.0301      0.00000
    131       2.1508      0.00000
    132       2.2958      0.00000
    133       2.4199      0.00000
    134       2.4757      0.00000
    135       2.4800      0.00000
    136       2.6649      0.00000
    137       2.6874      0.00000
    138       2.7486      0.00000
    139       2.7601      0.00000
    140       2.9102      0.00000
    141       3.0386      0.00000
    142       3.1006      0.00000
    143       3.1766      0.00000
    144       3.2224      0.00000
    145       3.2638      0.00000
    146       3.2852      0.00000
    147       3.3793      0.00000
    148       3.4957      0.00000
    149       3.5529      0.00000
    150       3.7126      0.00000
    151       3.7644      0.00000
    152       3.7698      0.00000
    153       3.8347      0.00000
    154       3.9009      0.00000
    155       3.9646      0.00000
    156       3.9859      0.00000
    157       4.0057      0.00000
    158       4.0462      0.00000
    159       4.0485      0.00000
    160       4.0873      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1398      1.00000
      2     -22.0453      1.00000
      3     -21.8850      1.00000
      4     -21.3330      1.00000
      5     -20.9801      1.00000
      6     -20.9419      1.00000
      7     -20.4317      1.00000
      8     -20.3894      1.00000
      9     -20.2252      1.00000
     10     -20.2039      1.00000
     11     -19.8876      1.00000
     12     -19.8204      1.00000
     13     -18.8135      1.00000
     14     -18.7429      1.00000
     15     -18.2886      1.00000
     16     -18.2355      1.00000
     17     -18.0849      1.00000
     18     -18.0650      1.00000
     19     -17.7605      1.00000
     20     -17.7183      1.00000
     21     -17.1881      1.00000
     22     -17.1696      1.00000
     23     -17.0992      1.00000
     24     -17.0633      1.00000
     25     -16.0366      1.00000
     26     -15.8219      1.00000
     27     -15.7987      1.00000
     28     -15.7643      1.00000
     29     -15.1734      1.00000
     30     -14.4904      1.00000
     31     -14.4580      1.00000
     32     -14.2177      1.00000
     33     -13.8945      1.00000
     34     -13.8897      1.00000
     35     -13.7556      1.00000
     36     -13.7359      1.00000
     37     -13.5512      1.00000
     38     -13.5028      1.00000
     39     -13.2986      1.00000
     40     -12.5632      1.00000
     41     -12.1246      1.00000
     42     -12.0660      1.00000
     43     -12.0090      1.00000
     44     -11.9509      1.00000
     45     -11.6104      1.00000
     46     -11.5880      1.00000
     47     -11.0847      1.00000
     48     -11.0521      1.00000
     49     -10.7513      1.00000
     50     -10.6638      1.00000
     51     -10.5219      1.00000
     52     -10.1480      1.00000
     53     -10.1381      1.00000
     54     -10.0951      1.00000
     55      -9.9526      1.00000
     56      -9.9467      1.00000
     57      -9.9168      1.00000
     58      -9.7375      1.00000
     59      -9.7307      1.00000
     60      -9.7010      1.00000
     61      -9.6910      1.00000
     62      -9.4264      1.00000
     63      -9.3624      1.00000
     64      -9.0828      1.00000
     65      -9.0062      1.00000
     66      -8.9748      1.00000
     67      -8.8882      1.00000
     68      -8.8106      1.00000
     69      -8.6571      1.00000
     70      -8.6348      1.00000
     71      -8.5748      1.00000
     72      -8.4784      1.00000
     73      -8.4672      1.00000
     74      -8.3979      1.00000
     75      -8.3944      1.00000
     76      -8.1831      1.00000
     77      -8.1110      1.00000
     78      -7.9768      1.00000
     79      -7.9119      1.00000
     80      -7.8470      1.00000
     81      -7.6149      1.00000
     82      -7.5300      1.00000
     83      -7.4697      1.00000
     84      -7.2648      1.00000
     85      -6.9347      1.00000
     86      -6.8586      1.00000
     87      -6.8119      1.00000
     88      -6.5721      1.00000
     89      -6.4673      1.00000
     90      -6.4212      1.00000
     91      -6.3568      1.00000
     92      -6.0504      1.00000
     93      -5.8768      1.00000
     94      -5.7528      1.00000
     95      -5.7216      1.00000
     96      -5.4757      1.00000
     97      -5.3455      1.00000
     98      -5.1803      1.00000
     99      -5.1562      1.00000
    100      -5.1549      1.00000
    101      -4.7067      1.00000
    102      -4.4410      1.00000
    103      -4.2529      1.00000
    104      -3.9946      1.00000
    105      -3.8219      1.00000
    106      -3.1573      1.00000
    107      -2.4641      0.00000
    108      -1.3801      0.00000
    109      -1.2422      0.00000
    110      -1.1474      0.00000
    111      -1.1159      0.00000
    112      -0.5664      0.00000
    113      -0.4363      0.00000
    114      -0.4318      0.00000
    115      -0.3117      0.00000
    116      -0.1923      0.00000
    117       0.0602      0.00000
    118       0.1143      0.00000
    119       0.5389      0.00000
    120       0.6824      0.00000
    121       0.8805      0.00000
    122       0.9786      0.00000
    123       1.1204      0.00000
    124       1.5045      0.00000
    125       1.6770      0.00000
    126       1.8384      0.00000
    127       1.8950      0.00000
    128       2.1000      0.00000
    129       2.1182      0.00000
    130       2.1749      0.00000
    131       2.2189      0.00000
    132       2.3359      0.00000
    133       2.3392      0.00000
    134       2.4842      0.00000
    135       2.5662      0.00000
    136       2.6872      0.00000
    137       2.8891      0.00000
    138       2.9366      0.00000
    139       2.9786      0.00000
    140       3.0168      0.00000
    141       3.0611      0.00000
    142       3.1492      0.00000
    143       3.1669      0.00000
    144       3.2633      0.00000
    145       3.3041      0.00000
    146       3.3424      0.00000
    147       3.3527      0.00000
    148       3.3883      0.00000
    149       3.4251      0.00000
    150       3.5115      0.00000
    151       3.5639      0.00000
    152       3.6327      0.00000
    153       3.6646      0.00000
    154       3.7067      0.00000
    155       3.7266      0.00000
    156       3.9328      0.00000
    157       3.9529      0.00000
    158       4.0760      0.00000
    159       4.1167      0.00000
    160       4.2282      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2459      1.00000
      2     -21.8932      1.00000
      3     -21.8201      1.00000
      4     -21.3145      1.00000
      5     -21.2759      1.00000
      6     -20.7698      1.00000
      7     -20.7013      1.00000
      8     -20.5531      1.00000
      9     -20.0213      1.00000
     10     -19.9892      1.00000
     11     -19.6490      1.00000
     12     -19.6181      1.00000
     13     -18.9420      1.00000
     14     -18.9076      1.00000
     15     -18.5829      1.00000
     16     -18.5456      1.00000
     17     -18.3911      1.00000
     18     -17.6008      1.00000
     19     -17.5699      1.00000
     20     -17.5406      1.00000
     21     -17.5079      1.00000
     22     -17.0735      1.00000
     23     -17.0268      1.00000
     24     -16.8997      1.00000
     25     -15.9450      1.00000
     26     -15.8499      1.00000
     27     -15.5322      1.00000
     28     -15.5058      1.00000
     29     -15.2088      1.00000
     30     -14.8130      1.00000
     31     -14.7608      1.00000
     32     -14.5090      1.00000
     33     -14.4676      1.00000
     34     -14.0955      1.00000
     35     -14.0925      1.00000
     36     -13.1041      1.00000
     37     -13.0287      1.00000
     38     -12.9565      1.00000
     39     -12.9494      1.00000
     40     -12.6553      1.00000
     41     -12.6272      1.00000
     42     -12.2731      1.00000
     43     -12.2461      1.00000
     44     -11.5725      1.00000
     45     -11.5534      1.00000
     46     -11.4998      1.00000
     47     -10.8771      1.00000
     48     -10.8676      1.00000
     49     -10.6781      1.00000
     50     -10.5253      1.00000
     51     -10.5194      1.00000
     52     -10.4329      1.00000
     53     -10.4157      1.00000
     54     -10.3702      1.00000
     55     -10.2877      1.00000
     56     -10.0584      1.00000
     57      -9.8309      1.00000
     58      -9.5577      1.00000
     59      -9.4846      1.00000
     60      -9.4420      1.00000
     61      -9.3550      1.00000
     62      -9.3391      1.00000
     63      -9.3078      1.00000
     64      -9.3023      1.00000
     65      -9.2050      1.00000
     66      -9.0994      1.00000
     67      -9.0686      1.00000
     68      -9.0489      1.00000
     69      -8.8470      1.00000
     70      -8.7963      1.00000
     71      -8.7773      1.00000
     72      -8.5259      1.00000
     73      -8.4938      1.00000
     74      -8.2217      1.00000
     75      -8.1291      1.00000
     76      -8.0929      1.00000
     77      -7.8064      1.00000
     78      -7.7678      1.00000
     79      -7.7395      1.00000
     80      -7.7004      1.00000
     81      -7.6361      1.00000
     82      -7.6249      1.00000
     83      -7.3888      1.00000
     84      -7.3445      1.00000
     85      -7.2242      1.00000
     86      -6.8440      1.00000
     87      -6.8213      1.00000
     88      -6.6377      1.00000
     89      -6.5291      1.00000
     90      -6.3424      1.00000
     91      -6.2726      1.00000
     92      -6.1948      1.00000
     93      -6.1323      1.00000
     94      -6.0199      1.00000
     95      -5.6343      1.00000
     96      -5.5083      1.00000
     97      -5.2977      1.00000
     98      -5.1563      1.00000
     99      -5.0398      1.00000
    100      -4.7249      1.00000
    101      -4.6858      1.00000
    102      -4.3682      1.00000
    103      -4.1832      1.00000
    104      -4.0076      1.00000
    105      -3.8214      1.00000
    106      -3.4849      1.00000
    107      -2.1657      0.00000
    108      -1.3846      0.00000
    109      -1.2367      0.00000
    110      -1.1864      0.00000
    111      -1.0155      0.00000
    112      -0.9571      0.00000
    113      -0.7987      0.00000
    114      -0.7536      0.00000
    115      -0.3701      0.00000
    116       0.2439      0.00000
    117       0.2751      0.00000
    118       0.3621      0.00000
    119       0.7103      0.00000
    120       0.8684      0.00000
    121       0.9644      0.00000
    122       1.1333      0.00000
    123       1.2464      0.00000
    124       1.4610      0.00000
    125       1.5846      0.00000
    126       1.7854      0.00000
    127       1.8476      0.00000
    128       1.8740      0.00000
    129       2.0032      0.00000
    130       2.0430      0.00000
    131       2.1853      0.00000
    132       2.2349      0.00000
    133       2.4135      0.00000
    134       2.4240      0.00000
    135       2.5158      0.00000
    136       2.6587      0.00000
    137       2.6834      0.00000
    138       2.7431      0.00000
    139       2.7876      0.00000
    140       2.8775      0.00000
    141       2.9884      0.00000
    142       3.0990      0.00000
    143       3.1654      0.00000
    144       3.2187      0.00000
    145       3.2674      0.00000
    146       3.3048      0.00000
    147       3.3517      0.00000
    148       3.4963      0.00000
    149       3.5361      0.00000
    150       3.7202      0.00000
    151       3.7381      0.00000
    152       3.7700      0.00000
    153       3.8687      0.00000
    154       3.8811      0.00000
    155       3.9101      0.00000
    156       3.9792      0.00000
    157       4.0114      0.00000
    158       4.0512      0.00000
    159       4.0553      0.00000
    160       4.0951      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3179      1.00000
      2     -21.7597      1.00000
      3     -21.5662      1.00000
      4     -21.5391      1.00000
      5     -21.2033      1.00000
      6     -21.1647      1.00000
      7     -20.9844      1.00000
      8     -20.0971      1.00000
      9     -20.0587      1.00000
     10     -19.5449      1.00000
     11     -19.5249      1.00000
     12     -19.3438      1.00000
     13     -19.0267      1.00000
     14     -18.9870      1.00000
     15     -18.9766      1.00000
     16     -18.9710      1.00000
     17     -18.2949      1.00000
     18     -18.2815      1.00000
     19     -17.9456      1.00000
     20     -16.9996      1.00000
     21     -16.9592      1.00000
     22     -16.8822      1.00000
     23     -16.8694      1.00000
     24     -16.4153      1.00000
     25     -16.3929      1.00000
     26     -15.5398      1.00000
     27     -15.5365      1.00000
     28     -15.1723      1.00000
     29     -15.1707      1.00000
     30     -15.1302      1.00000
     31     -15.0357      1.00000
     32     -15.0007      1.00000
     33     -14.6326      1.00000
     34     -14.6258      1.00000
     35     -13.6622      1.00000
     36     -13.6525      1.00000
     37     -13.1708      1.00000
     38     -12.5724      1.00000
     39     -12.5135      1.00000
     40     -12.3850      1.00000
     41     -12.3844      1.00000
     42     -12.0352      1.00000
     43     -12.0313      1.00000
     44     -11.6539      1.00000
     45     -11.6139      1.00000
     46     -11.2053      1.00000
     47     -11.1573      1.00000
     48     -10.9545      1.00000
     49     -10.9420      1.00000
     50     -10.8597      1.00000
     51     -10.8276      1.00000
     52     -10.6207      1.00000
     53     -10.1451      1.00000
     54     -10.0841      1.00000
     55     -10.0251      1.00000
     56      -9.9440      1.00000
     57      -9.6303      1.00000
     58      -9.6292      1.00000
     59      -9.6023      1.00000
     60      -9.5402      1.00000
     61      -9.5034      1.00000
     62      -9.4786      1.00000
     63      -9.2708      1.00000
     64      -9.2355      1.00000
     65      -9.2066      1.00000
     66      -9.1790      1.00000
     67      -9.0616      1.00000
     68      -9.0471      1.00000
     69      -9.0436      1.00000
     70      -8.8759      1.00000
     71      -8.8083      1.00000
     72      -8.5332      1.00000
     73      -8.5320      1.00000
     74      -8.4935      1.00000
     75      -8.0318      1.00000
     76      -7.8318      1.00000
     77      -7.7967      1.00000
     78      -7.7738      1.00000
     79      -7.7036      1.00000
     80      -7.6851      1.00000
     81      -7.4183      1.00000
     82      -7.2876      1.00000
     83      -7.2522      1.00000
     84      -7.2022      1.00000
     85      -7.0803      1.00000
     86      -7.0781      1.00000
     87      -6.9386      1.00000
     88      -6.7097      1.00000
     89      -6.6736      1.00000
     90      -6.6291      1.00000
     91      -6.5574      1.00000
     92      -6.0720      1.00000
     93      -6.0315      1.00000
     94      -6.0012      1.00000
     95      -5.9379      1.00000
     96      -5.7989      1.00000
     97      -5.1783      1.00000
     98      -4.8934      1.00000
     99      -4.7931      1.00000
    100      -4.6114      1.00000
    101      -4.5128      1.00000
    102      -4.1396      1.00000
    103      -4.0906      1.00000
    104      -3.9311      1.00000
    105      -3.9162      1.00000
    106      -3.8208      1.00000
    107      -1.7531      0.00000
    108      -1.6975      0.00000
    109      -1.4115      0.00000
    110      -1.3719      0.00000
    111      -1.2657      0.00000
    112      -1.2373      0.00000
    113      -0.6276      0.00000
    114      -0.5999      0.00000
    115      -0.1911      0.00000
    116       0.0388      0.00000
    117       0.5928      0.00000
    118       0.7421      0.00000
    119       0.8474      0.00000
    120       0.9291      0.00000
    121       1.1654      0.00000
    122       1.2152      0.00000
    123       1.2490      0.00000
    124       1.4391      0.00000
    125       1.6033      0.00000
    126       1.6535      0.00000
    127       1.7174      0.00000
    128       1.7886      0.00000
    129       1.9175      0.00000
    130       1.9378      0.00000
    131       2.1521      0.00000
    132       2.1877      0.00000
    133       2.2672      0.00000
    134       2.3250      0.00000
    135       2.5620      0.00000
    136       2.5906      0.00000
    137       2.6081      0.00000
    138       2.7703      0.00000
    139       2.8074      0.00000
    140       2.8124      0.00000
    141       2.8921      0.00000
    142       2.9238      0.00000
    143       3.0325      0.00000
    144       3.0537      0.00000
    145       3.1211      0.00000
    146       3.3167      0.00000
    147       3.3339      0.00000
    148       3.3937      0.00000
    149       3.4925      0.00000
    150       3.5960      0.00000
    151       3.6645      0.00000
    152       3.6687      0.00000
    153       3.6861      0.00000
    154       3.9129      0.00000
    155       3.9860      0.00000
    156       4.0266      0.00000
    157       4.0923      0.00000
    158       4.2607      0.00000
    159       4.2665      0.00000
    160       4.2756      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1389      1.00000
      2     -22.0466      1.00000
      3     -21.8845      1.00000
      4     -21.3339      1.00000
      5     -20.9752      1.00000
      6     -20.9459      1.00000
      7     -20.4265      1.00000
      8     -20.3947      1.00000
      9     -20.2148      1.00000
     10     -20.2130      1.00000
     11     -19.8865      1.00000
     12     -19.8229      1.00000
     13     -18.8164      1.00000
     14     -18.7459      1.00000
     15     -18.2649      1.00000
     16     -18.2508      1.00000
     17     -18.0794      1.00000
     18     -18.0729      1.00000
     19     -17.7451      1.00000
     20     -17.7294      1.00000
     21     -17.1942      1.00000
     22     -17.1711      1.00000
     23     -17.0886      1.00000
     24     -17.0673      1.00000
     25     -16.0528      1.00000
     26     -15.8074      1.00000
     27     -15.7979      1.00000
     28     -15.7773      1.00000
     29     -15.1591      1.00000
     30     -14.4849      1.00000
     31     -14.4637      1.00000
     32     -14.2042      1.00000
     33     -13.9160      1.00000
     34     -13.8864      1.00000
     35     -13.7591      1.00000
     36     -13.7388      1.00000
     37     -13.5359      1.00000
     38     -13.5101      1.00000
     39     -13.3001      1.00000
     40     -12.5756      1.00000
     41     -12.1010      1.00000
     42     -12.0769      1.00000
     43     -11.9975      1.00000
     44     -11.9501      1.00000
     45     -11.6056      1.00000
     46     -11.5982      1.00000
     47     -11.0837      1.00000
     48     -11.0611      1.00000
     49     -10.7308      1.00000
     50     -10.6641      1.00000
     51     -10.5538      1.00000
     52     -10.1397      1.00000
     53     -10.1350      1.00000
     54     -10.0996      1.00000
     55      -9.9657      1.00000
     56      -9.9254      1.00000
     57      -9.9208      1.00000
     58      -9.7505      1.00000
     59      -9.7292      1.00000
     60      -9.6977      1.00000
     61      -9.6951      1.00000
     62      -9.3979      1.00000
     63      -9.3886      1.00000
     64      -9.0662      1.00000
     65      -8.9817      1.00000
     66      -8.9815      1.00000
     67      -8.9058      1.00000
     68      -8.8115      1.00000
     69      -8.6492      1.00000
     70      -8.6342      1.00000
     71      -8.5432      1.00000
     72      -8.5015      1.00000
     73      -8.4825      1.00000
     74      -8.3945      1.00000
     75      -8.3827      1.00000
     76      -8.2085      1.00000
     77      -8.0992      1.00000
     78      -8.0062      1.00000
     79      -7.8999      1.00000
     80      -7.8423      1.00000
     81      -7.6205      1.00000
     82      -7.5325      1.00000
     83      -7.4575      1.00000
     84      -7.2607      1.00000
     85      -6.9435      1.00000
     86      -6.8698      1.00000
     87      -6.8112      1.00000
     88      -6.4781      1.00000
     89      -6.4688      1.00000
     90      -6.4101      1.00000
     91      -6.3595      1.00000
     92      -6.1854      1.00000
     93      -5.8580      1.00000
     94      -5.7378      1.00000
     95      -5.7113      1.00000
     96      -5.5217      1.00000
     97      -5.3292      1.00000
     98      -5.1726      1.00000
     99      -5.1679      1.00000
    100      -5.1343      1.00000
    101      -4.6962      1.00000
    102      -4.3491      1.00000
    103      -4.2767      1.00000
    104      -4.0273      1.00000
    105      -3.8228      1.00000
    106      -3.2338      1.00000
    107      -2.4067      0.00000
    108      -1.3466      0.00000
    109      -1.2448      0.00000
    110      -1.1549      0.00000
    111      -1.1097      0.00000
    112      -0.5855      0.00000
    113      -0.5228      0.00000
    114      -0.4354      0.00000
    115      -0.2761      0.00000
    116      -0.0741      0.00000
    117      -0.0133      0.00000
    118       0.0582      0.00000
    119       0.5827      0.00000
    120       0.7087      0.00000
    121       0.8186      0.00000
    122       0.9534      0.00000
    123       1.1936      0.00000
    124       1.5303      0.00000
    125       1.6296      0.00000
    126       1.8862      0.00000
    127       2.0235      0.00000
    128       2.0611      0.00000
    129       2.1060      0.00000
    130       2.1388      0.00000
    131       2.2367      0.00000
    132       2.2854      0.00000
    133       2.3398      0.00000
    134       2.4337      0.00000
    135       2.6116      0.00000
    136       2.7147      0.00000
    137       2.8467      0.00000
    138       2.9128      0.00000
    139       2.9439      0.00000
    140       3.0351      0.00000
    141       3.0668      0.00000
    142       3.1369      0.00000
    143       3.1745      0.00000
    144       3.2385      0.00000
    145       3.3078      0.00000
    146       3.3225      0.00000
    147       3.3613      0.00000
    148       3.3802      0.00000
    149       3.4357      0.00000
    150       3.4589      0.00000
    151       3.5700      0.00000
    152       3.6167      0.00000
    153       3.6681      0.00000
    154       3.7074      0.00000
    155       3.8697      0.00000
    156       3.9197      0.00000
    157       3.9453      0.00000
    158       3.9716      0.00000
    159       4.1800      0.00000
    160       4.2066      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2118      1.00000
      2     -22.0068      1.00000
      3     -21.6448      1.00000
      4     -21.6137      1.00000
      5     -20.9083      1.00000
      6     -20.8680      1.00000
      7     -20.5378      1.00000
      8     -20.5055      1.00000
      9     -20.4988      1.00000
     10     -19.9614      1.00000
     11     -19.4397      1.00000
     12     -19.4179      1.00000
     13     -19.2390      1.00000
     14     -19.2319      1.00000
     15     -18.3752      1.00000
     16     -18.3405      1.00000
     17     -17.8581      1.00000
     18     -17.8421      1.00000
     19     -17.6906      1.00000
     20     -17.6550      1.00000
     21     -17.3718      1.00000
     22     -17.3576      1.00000
     23     -17.2671      1.00000
     24     -16.4128      1.00000
     25     -16.3896      1.00000
     26     -15.9040      1.00000
     27     -15.3427      1.00000
     28     -15.3379      1.00000
     29     -15.0304      1.00000
     30     -15.0208      1.00000
     31     -14.7764      1.00000
     32     -14.7742      1.00000
     33     -14.2372      1.00000
     34     -14.1871      1.00000
     35     -13.3873      1.00000
     36     -13.3337      1.00000
     37     -13.1108      1.00000
     38     -13.1029      1.00000
     39     -12.9169      1.00000
     40     -12.9113      1.00000
     41     -12.5453      1.00000
     42     -12.5377      1.00000
     43     -12.1336      1.00000
     44     -11.5128      1.00000
     45     -11.4687      1.00000
     46     -11.2440      1.00000
     47     -11.2126      1.00000
     48     -11.0864      1.00000
     49     -10.7017      1.00000
     50     -10.5958      1.00000
     51     -10.5074      1.00000
     52     -10.2516      1.00000
     53     -10.2473      1.00000
     54     -10.1203      1.00000
     55     -10.0543      1.00000
     56     -10.0390      1.00000
     57      -9.7829      1.00000
     58      -9.6872      1.00000
     59      -9.6733      1.00000
     60      -9.6378      1.00000
     61      -9.6282      1.00000
     62      -9.5851      1.00000
     63      -9.2955      1.00000
     64      -9.2838      1.00000
     65      -9.2526      1.00000
     66      -9.0598      1.00000
     67      -8.8951      1.00000
     68      -8.8839      1.00000
     69      -8.7180      1.00000
     70      -8.5773      1.00000
     71      -8.5259      1.00000
     72      -8.3496      1.00000
     73      -8.3045      1.00000
     74      -8.2436      1.00000
     75      -8.2382      1.00000
     76      -8.1950      1.00000
     77      -8.1821      1.00000
     78      -8.1698      1.00000
     79      -8.1012      1.00000
     80      -7.6882      1.00000
     81      -7.4233      1.00000
     82      -7.3434      1.00000
     83      -7.2602      1.00000
     84      -7.1697      1.00000
     85      -7.1097      1.00000
     86      -7.0056      1.00000
     87      -6.9035      1.00000
     88      -6.8487      1.00000
     89      -6.5424      1.00000
     90      -6.4997      1.00000
     91      -6.2080      1.00000
     92      -6.2021      1.00000
     93      -5.8947      1.00000
     94      -5.6730      1.00000
     95      -5.6063      1.00000
     96      -5.5804      1.00000
     97      -5.2537      1.00000
     98      -5.2313      1.00000
     99      -5.1652      1.00000
    100      -5.1349      1.00000
    101      -4.5997      1.00000
    102      -4.2470      1.00000
    103      -4.0438      1.00000
    104      -3.8851      1.00000
    105      -3.8372      1.00000
    106      -3.7992      1.00000
    107      -1.8093      0.00000
    108      -1.7823      0.00000
    109      -1.2269      0.00000
    110      -1.1764      0.00000
    111      -0.9751      0.00000
    112      -0.7360      0.00000
    113      -0.6512      0.00000
    114      -0.5951      0.00000
    115      -0.5513      0.00000
    116      -0.1578      0.00000
    117       0.1748      0.00000
    118       0.2861      0.00000
    119       0.7155      0.00000
    120       0.9583      0.00000
    121       1.1700      0.00000
    122       1.2759      0.00000
    123       1.3558      0.00000
    124       1.5248      0.00000
    125       1.6164      0.00000
    126       1.6369      0.00000
    127       1.6944      0.00000
    128       1.7817      0.00000
    129       1.8785      0.00000
    130       2.0502      0.00000
    131       2.1715      0.00000
    132       2.2916      0.00000
    133       2.4215      0.00000
    134       2.4217      0.00000
    135       2.5761      0.00000
    136       2.6396      0.00000
    137       2.6960      0.00000
    138       2.7106      0.00000
    139       2.7881      0.00000
    140       2.9196      0.00000
    141       3.0683      0.00000
    142       3.0734      0.00000
    143       3.2060      0.00000
    144       3.2927      0.00000
    145       3.4053      0.00000
    146       3.4246      0.00000
    147       3.4678      0.00000
    148       3.5565      0.00000
    149       3.5979      0.00000
    150       3.6420      0.00000
    151       3.6768      0.00000
    152       3.6999      0.00000
    153       3.7686      0.00000
    154       3.7717      0.00000
    155       3.8425      0.00000
    156       3.9159      0.00000
    157       3.9176      0.00000
    158       3.9833      0.00000
    159       4.2046      0.00000
    160       4.2419      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0408   -7.2560    3.9825   -1.1307   -0.1849   17.3754    0.4925   -0.8151    0.7704   -0.4750
x    -3.1261   -0.0251   -0.0203   -0.0268    0.0919   -3.0546    0.0301   -0.0243    0.0083    0.0018
x    -0.0953   -0.0029    0.0036   -0.0031    0.0021   -0.0242    0.0000    0.0000   -0.0001    0.0001
x    -0.0035   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0408    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0035    0.0000    0.0004    0.0007    0.0028   -0.0985   -0.0315    0.0617    0.0186
y     0.0232   -3.2421   -0.1787    0.1697   -2.4163   -0.6651
z   204.0408    1.7394    0.2863    0.0903   -0.0015    0.0776   -0.0019    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.1042    0.0015   -0.0009   -0.0001    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0013   -0.0001    0.0001    0.0000
z    -0.0001    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  -16.6753
z     0.1424    0.2284   -0.0324    0.0570   -0.0904    0.0006
 total charge-density along one line
x   212.0000  -10.0875    5.9295   -1.9396   -0.4205   19.2941   -0.6571    0.2076    0.0648   -0.1039
x    -2.7067   -0.0087    0.0024   -0.0462    0.0980   -2.3460    0.0476   -0.0342    0.0116    0.0024
x    -0.0853   -0.0056    0.0084   -0.0079    0.0053   -0.0374    0.0000   -0.0001    0.0004   -0.0004
x    -0.0054    0.0000   -0.0002    0.0001    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  -10.0875    5.9295   -1.9396   -0.4205   19.2941   -0.6571    0.2077    0.0648   -0.1039
y    -2.7067   -0.0087    0.0024   -0.0462    0.0980   -2.3460    0.0476   -0.0342    0.0116    0.0024
y    -0.0853   -0.0056    0.0084   -0.0079    0.0053   -0.0374    0.0000   -0.0001    0.0004   -0.0004
y    -0.0054    0.0000   -0.0002    0.0001    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 -205.2894  188.8267 -170.1190  154.0702 -140.4285  126.5353 -111.0350   94.7305  -79.0341
z    64.6487  -51.7110   40.4928  -31.4716   24.7777  -19.8645   15.8594  -12.1987    8.8851   -6.2013
z     4.2775   -2.9511    1.9557   -1.1490    0.5411   -0.1579   -0.0607    0.2239   -0.3882    0.5220
z    -0.5682    0.5216   -0.4374    0.3748   -0.3478    0.3298   -0.2949    0.2445   -0.1969    0.1639
z    -0.1412    0.1192   -0.0953    0.0743   -0.0608    0.0531   -0.0467    0.0389   -0.0312    0.0257
z    -0.0226    0.0202   -0.0172    0.0140   -0.0113    0.0092   -0.0075    0.0058   -0.0043    0.0031
z    -0.0022    0.0013   -0.0004   -0.0002    0.0004   -0.0004    0.0005   -0.0008    0.0008   -0.0007
z     0.0004   -0.0002    0.0001   -0.0001    0.0000    0.0002   -0.0003    0.0003   -0.0003    0.0003
z    -0.0003    0.0003   -0.0002    0.0002   -0.0002    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001
z     0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001
 
 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
-10.938   0.000   0.042   0.000   0.003   0.199   0.000  -0.006
  0.000 -11.267   0.000  -0.102   0.000   0.000   0.239   0.000
  0.042   0.000 -11.241   0.000  -0.024  -0.006   0.000   0.237
  0.000  -0.102   0.000 -11.149   0.000   0.000   0.012   0.000
  0.003   0.000  -0.024   0.000 -10.936   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.237   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.225   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.199   0.000   0.000   0.000
  0.036   0.000   0.100   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.026   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.938   0.000   0.042   0.000   0.003   0.199   0.000  -0.006
  0.000 -11.267   0.000  -0.102   0.000   0.000   0.239   0.000
  0.042   0.000 -11.241   0.000  -0.024  -0.006   0.000   0.237
  0.000  -0.102   0.000 -11.149   0.000   0.000   0.012   0.000
  0.003   0.000  -0.024   0.000 -10.936   0.000   0.000   0.003
  0.199   0.000  -0.006   0.000   0.000   0.175   0.000   0.001
  0.000   0.239   0.000   0.012   0.000   0.000   0.171   0.000
 -0.006   0.000   0.237   0.000   0.003   0.001   0.000   0.171
  0.000   0.012   0.000   0.225   0.000   0.000  -0.001   0.000
  0.000   0.000   0.003   0.000   0.199   0.000   0.000   0.000
  0.036   0.000   0.100   0.000  -0.021  -0.003   0.000  -0.006
 -0.003   0.000  -0.006   0.000   0.001   0.000   0.000   0.000
  0.000  -0.022   0.000   0.003   0.000   0.000   0.001   0.000
  0.003   0.000  -0.021   0.000  -0.002   0.000   0.000   0.001
  0.000   0.003   0.000  -0.026   0.000   0.000   0.000   0.000
  0.000   0.017   0.000  -0.003   0.000   0.000  -0.002   0.000
 -0.003   0.000   0.018   0.000   0.002   0.000   0.000  -0.002
  0.000  -0.003   0.000   0.020   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.960   0.000  -0.027   0.000   0.002   0.022   0.000   0.058   0.000  -0.014  -0.027   0.025   0.000   0.000   0.000   0.000
  0.000   1.585   0.000  -0.148   0.000   0.000   0.595   0.000   0.261   0.000   0.000   0.000   0.161   0.000   0.107  -0.035
 -0.027   0.000   1.790   0.000   0.019   0.044   0.000   0.352   0.000  -0.027  -0.231  -0.042   0.000   0.096   0.000   0.000
  0.000  -0.148   0.000   1.756   0.000   0.000   0.261   0.000   0.293   0.000   0.000   0.000   0.109   0.000   0.039   0.005
  0.002   0.000   0.019   0.000   1.966  -0.014   0.000  -0.036   0.000   0.004   0.011  -0.015   0.000   0.003   0.000   0.000
  0.022   0.000   0.044   0.000  -0.014   0.064   0.000   0.101   0.000  -0.025   0.195  -0.053   0.000   0.116   0.000   0.000
  0.000   0.595   0.000   0.261   0.000   0.000   0.330   0.000   0.108   0.000   0.000   0.000   0.058   0.000   0.066  -0.012
  0.058   0.000   0.352   0.000  -0.036   0.101   0.000   0.556   0.000  -0.058   0.697  -0.289   0.000   0.087   0.000   0.000
  0.000   0.261   0.000   0.293   0.000   0.000   0.108   0.000   0.205   0.000   0.000   0.000   0.065   0.000  -0.019  -0.007
 -0.014   0.000  -0.027   0.000   0.004  -0.025   0.000  -0.058   0.000   0.036  -0.111   0.031   0.000  -0.068   0.000   0.000
 -0.027   0.000  -0.231   0.000   0.011   0.195   0.000   0.697   0.000  -0.111   1.352  -0.432   0.000   0.267   0.000   0.000
  0.025   0.000  -0.042   0.000  -0.015  -0.053   0.000  -0.289   0.000   0.031  -0.432   0.191   0.000  -0.034   0.000   0.000
  0.000   0.161   0.000   0.109   0.000   0.000   0.058   0.000   0.065   0.000   0.000   0.000   0.043   0.000   0.012  -0.004
  0.000   0.000   0.096   0.000   0.003   0.116   0.000   0.087   0.000  -0.068   0.267  -0.034   0.000   0.307   0.000   0.000
  0.000   0.107   0.000   0.039   0.000   0.000   0.066   0.000  -0.019   0.000   0.000   0.000   0.012   0.000   0.031  -0.002
  0.000  -0.035   0.000   0.005   0.000   0.000  -0.012   0.000  -0.007   0.000   0.000   0.000  -0.004   0.000  -0.002   0.001
  0.001   0.000  -0.037   0.000  -0.001  -0.005   0.000  -0.009   0.000   0.003  -0.007   0.000   0.000  -0.014   0.000   0.000
  0.000   0.005   0.000  -0.041   0.000   0.000  -0.007   0.000  -0.004   0.000   0.000   0.000  -0.002   0.000  -0.002   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        0.639   0.275   8.027   8.941
  2        0.514   0.028   0.000   0.542
  3        0.514   0.028   0.000   0.542
  4        0.864   1.783   0.000   2.646
  5        0.864   1.782   0.000   2.646
  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   2.646
 10        0.864   1.784   0.000   2.647
 11        0.863   1.782   0.000   2.645
 12        0.864   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        0.863   1.776   0.000   2.640
 17        0.856   1.772   0.000   2.628
 18        0.864   1.784   0.000   2.647
 19        0.864   1.782   0.000   2.646
 20        0.864   1.782   0.000   2.645
 21        0.863   1.781   0.000   2.644
 22        0.863   1.776   0.000   2.639
 23        0.863   1.783   0.000   2.646
 24        0.864   1.783   0.000   2.646
 25        0.863   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   1.783   0.000   2.647
 29        0.864   1.783   0.000   2.646
 30        0.864   1.783   0.000   2.647
 31        0.864   1.783   0.000   2.647
 32        0.864   1.782   0.000   2.646
 33        0.863   1.782   0.000   2.646
 34        0.864   1.782   0.000   2.646
 35        0.863   1.783   0.000   2.646
 36        0.863   1.776   0.000   2.639
 37        0.863   1.781   0.000   2.644
 38        0.864   1.782   0.000   2.645
 39        0.864   1.783   0.000   2.647
 40        0.864   1.784   0.000   2.647
 41        0.856   1.772   0.000   2.628
 42        0.863   1.776   0.000   2.640
 43        0.864   1.784   0.000   2.647
 44        0.864   1.783   0.000   2.646
 45        0.864   1.782   0.000   2.646
 46        0.864   1.784   0.000   2.648
 47        0.863   1.782   0.000   2.645
 48        0.864   1.784   0.000   2.647
 49        0.864   1.783   0.000   2.646
 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   1.782   0.000   2.646
------------------------------------------------
tot       44.828  89.418   8.027 142.273
 


 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   90.26: CPU time   45.42
    FORLOC:  VPU time    1.10: CPU time    1.10
    FORNL :  VPU time  364.54: CPU time  182.70
    STRESS:  VPU time 1097.17: CPU time  559.53
    FORCOR:  VPU time    7.43: CPU time    7.43
    FORHAR:  VPU time    1.97: CPU time    1.97
    MIXING:  VPU time    0.13: CPU time    0.13
 d Force = 0.1130665E-04[ 0.530E-05, 0.173E-04]  d Energy = 0.1854739E-04-0.724E-05
 d Force =-0.1843092E+00[-0.184E+00,-0.184E+00]  d Ewald  =-0.1277451E+00-0.566E-01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.644930 eV

  energy  without entropy=     -471.644930  energy(sigma->0) =     -471.644930
 

  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    40704.99  40721.83 -47405.90     14.58      0.00      0.00
  Hartree  40171.37  40175.09 -39425.53      3.23      0.00      0.00
  E(xc)     -779.69   -779.50   -807.22      0.17      0.00      0.00
  Local   -83169.65 -83184.00  84148.85    -12.43      0.00      0.00
  n-local   -215.75   -215.67   -203.83     -0.18      0.00      0.00
  augment     22.10     20.52     17.37     -1.36      0.00      0.00
  Kinetic   3168.32   3170.99   3582.01     -6.15      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.61     -0.57     -0.32      0.03      0.00      0.00
  in kB       -0.37     -0.35     -0.19      0.02      0.00      0.00
  external pressure =       -0.30 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
    12.348855443  0.001519835  0.000000000     0.080973413  0.046736802  0.000000000
    -6.173118149 10.695178491  0.000000000    -0.000011507  0.093493434  0.000000000
     0.000000000  0.000000000 19.972819342     0.000000000  0.000000000  0.050068044

  length of vectors
    12.348855537 12.348855438 19.972819342     0.093493434  0.093493435  0.050068044


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.395E-05 -.457E-04 -.959E+03   0.429E-05 -.274E-04 0.967E+03   0.741E-21 -.599E-22 -.792E+01   -.331E-07 0.192E-07 0.335E-02
   -.176E+02 -.305E+02 -.136E+03   0.184E+02 0.319E+02 0.138E+03   -.832E+00 -.144E+01 -.258E+01   -.154E-03 -.268E-03 -.571E-03
   0.176E+02 0.305E+02 -.136E+03   -.184E+02 -.319E+02 0.138E+03   0.832E+00 0.144E+01 -.258E+01   0.154E-03 0.268E-03 -.571E-03
   -.197E+01 0.114E+01 0.174E+02   0.198E+01 -.114E+01 -.174E+02   -.938E-02 0.542E-02 -.576E-02   -.787E-03 0.451E-03 0.118E-02
   0.578E+01 0.688E+01 0.200E+02   -.579E+01 -.691E+01 -.200E+02   0.607E-02 0.336E-01 -.169E-01   0.218E-03 -.179E-03 0.924E-03
   0.112E+02 0.504E+01 0.184E+02   -.113E+02 -.505E+01 -.183E+02   0.247E-01 0.864E-02 -.529E-01   -.844E-03 0.147E-02 0.363E-03
   0.452E+01 -.102E+01 0.162E+02   -.454E+01 0.103E+01 -.162E+02   0.206E-01 -.172E-01 -.302E-02   -.640E-04 0.136E-02 0.205E-03
   -.293E+01 -.239E+01 0.151E+02   0.294E+01 0.241E+01 -.151E+02   -.144E-01 -.142E-01 -.662E-03   -.263E-03 -.656E-03 0.661E-03
   0.607E+00 0.373E+01 0.151E+02   -.612E+00 -.375E+01 -.151E+02   0.515E-02 0.195E-01 -.662E-03   0.431E-03 0.549E-03 0.658E-03
   0.272E+01 0.182E+02 0.245E+02   -.273E+01 -.183E+02 -.245E+02   0.923E-02 0.110E+00 -.105E-01   -.702E-03 0.189E-02 0.618E-03
   0.214E+02 0.226E+02 0.395E+02   -.215E+02 -.228E+02 -.395E+02   0.117E+00 0.228E+00 -.198E-01   -.100E-02 -.539E-03 0.402E-03
   0.265E+02 -.449E+01 0.268E+02   -.267E+02 0.460E+01 -.267E+02   0.235E+00 -.118E+00 -.591E-01   -.757E-03 0.332E-04 0.267E-04
   0.915E+01 -.528E+01 0.156E+02   -.917E+01 0.529E+01 -.156E+02   0.171E-01 -.988E-02 0.527E-02   0.151E-02 -.878E-03 0.127E-03
   0.314E+01 -.341E+01 0.162E+02   -.316E+01 0.341E+01 -.162E+02   0.251E-01 -.923E-02 -.302E-02   -.121E-02 -.629E-03 0.197E-03
   -.604E+01 0.132E+02 0.198E+02   0.605E+01 -.132E+02 -.198E+02   -.595E-02 0.743E-01 -.123E-01   -.116E-02 0.444E-03 0.222E-03
   -.122E+02 0.334E+02 0.459E+02   0.123E+02 -.341E+02 -.463E+02   -.917E-01 0.678E+00 0.350E+00   -.476E-03 0.823E-03 -.286E-03
   0.263E+02 -.152E+02 0.694E+02   -.273E+02 0.157E+02 -.715E+02   0.963E+00 -.556E+00 0.209E+01   0.164E-03 -.974E-04 -.102E-02
   0.171E+02 -.207E+02 0.268E+02   -.173E+02 0.208E+02 -.267E+02   0.220E+00 -.145E+00 -.591E-01   -.410E-03 0.632E-03 0.219E-04
   0.125E+01 -.122E+02 0.184E+02   -.126E+01 0.123E+02 -.183E+02   0.485E-02 -.257E-01 -.529E-01   -.169E-02 -.582E-05 0.357E-03
   -.387E+01 0.155E+01 0.145E+02   0.387E+01 -.155E+01 -.144E+02   -.596E-02 0.229E-02 -.410E-01   -.116E-02 -.141E-02 0.353E-03
   -.182E+02 0.105E+02 0.209E+02   0.182E+02 -.105E+02 -.208E+02   -.635E-01 0.366E-01 -.127E+00   0.390E-03 -.222E-03 0.325E-04
   -.350E+02 -.610E+01 0.459E+02   0.357E+02 0.636E+01 -.463E+02   -.633E+00 -.260E+00 0.350E+00   -.947E-03 0.261E-06 -.283E-03
   -.883E+01 -.298E+02 0.395E+02   0.897E+01 0.300E+02 -.395E+02   -.139E+00 -.216E+00 -.198E-01   -.303E-04 0.113E-02 0.400E-03
   -.307E+01 -.844E+01 0.200E+02   0.309E+01 0.847E+01 -.200E+02   -.261E-01 -.221E-01 -.169E-01   0.266E-03 -.101E-03 0.923E-03
   0.127E+01 -.731E+00 0.149E+02   -.127E+01 0.731E+00 -.149E+02   -.118E-02 0.682E-03 -.324E-01   -.384E-03 0.224E-03 0.105E-02
   -.328E+01 0.257E+01 0.145E+02   0.328E+01 -.258E+01 -.144E+02   -.496E-02 0.402E-02 -.410E-01   0.642E-03 0.171E-02 0.357E-03
   -.144E+02 -.134E+01 0.198E+02   0.145E+02 0.138E+01 -.198E+02   -.674E-01 -.320E-01 -.123E-01   -.963E-03 0.783E-03 0.229E-03
   -.144E+02 -.114E+02 0.245E+02   0.145E+02 0.115E+02 -.245E+02   -.909E-01 -.631E-01 -.105E-01   -.199E-02 -.342E-03 0.621E-03
   0.307E+01 0.844E+01 0.200E+02   -.309E+01 -.847E+01 -.200E+02   0.261E-01 0.221E-01 -.169E-01   -.266E-03 0.101E-03 0.923E-03
   0.144E+02 0.114E+02 0.245E+02   -.145E+02 -.115E+02 -.245E+02   0.909E-01 0.631E-01 -.105E-01   0.199E-02 0.342E-03 0.621E-03
   0.144E+02 0.134E+01 0.198E+02   -.145E+02 -.138E+01 -.198E+02   0.674E-01 0.320E-01 -.123E-01   0.963E-03 -.783E-03 0.229E-03
   0.328E+01 -.257E+01 0.145E+02   -.328E+01 0.258E+01 -.144E+02   0.496E-02 -.402E-02 -.410E-01   -.642E-03 -.171E-02 0.357E-03
   -.127E+01 0.732E+00 0.149E+02   0.127E+01 -.730E+00 -.149E+02   0.118E-02 -.682E-03 -.324E-01   0.384E-03 -.224E-03 0.105E-02
   -.125E+01 0.122E+02 0.184E+02   0.126E+01 -.123E+02 -.183E+02   -.485E-02 0.257E-01 -.529E-01   0.169E-02 0.583E-05 0.357E-03
   0.883E+01 0.298E+02 0.395E+02   -.897E+01 -.300E+02 -.395E+02   0.139E+00 0.216E+00 -.198E-01   0.303E-04 -.113E-02 0.400E-03
   0.350E+02 0.610E+01 0.459E+02   -.357E+02 -.636E+01 -.463E+02   0.633E+00 0.260E+00 0.350E+00   0.947E-03 -.254E-06 -.283E-03
   0.182E+02 -.105E+02 0.209E+02   -.182E+02 0.105E+02 -.208E+02   0.635E-01 -.366E-01 -.127E+00   -.390E-03 0.222E-03 0.325E-04
   0.387E+01 -.155E+01 0.145E+02   -.388E+01 0.155E+01 -.144E+02   0.596E-02 -.229E-02 -.410E-01   0.116E-02 0.141E-02 0.353E-03
   -.314E+01 0.341E+01 0.162E+02   0.316E+01 -.341E+01 -.162E+02   -.251E-01 0.923E-02 -.302E-02   0.121E-02 0.629E-03 0.197E-03
   -.171E+02 0.207E+02 0.268E+02   0.173E+02 -.208E+02 -.267E+02   -.220E+00 0.145E+00 -.591E-01   0.410E-03 -.632E-03 0.219E-04
   -.263E+02 0.152E+02 0.694E+02   0.273E+02 -.157E+02 -.715E+02   -.963E+00 0.556E+00 0.209E+01   -.164E-03 0.974E-04 -.102E-02
   0.122E+02 -.334E+02 0.459E+02   -.123E+02 0.341E+02 -.463E+02   0.917E-01 -.678E+00 0.350E+00   0.476E-03 -.823E-03 -.286E-03
   0.604E+01 -.132E+02 0.198E+02   -.605E+01 0.132E+02 -.198E+02   0.595E-02 -.743E-01 -.123E-01   0.116E-02 -.444E-03 0.222E-03
   -.607E+00 -.373E+01 0.151E+02   0.612E+00 0.375E+01 -.151E+02   -.515E-02 -.195E-01 -.662E-03   -.431E-03 -.549E-03 0.658E-03
   -.915E+01 0.528E+01 0.156E+02   0.917E+01 -.529E+01 -.156E+02   -.171E-01 0.988E-02 0.527E-02   -.151E-02 0.878E-03 0.127E-03
   -.265E+02 0.449E+01 0.268E+02   0.267E+02 -.460E+01 -.267E+02   -.235E+00 0.118E+00 -.591E-01   0.757E-03 -.332E-04 0.267E-04
   -.214E+02 -.226E+02 0.395E+02   0.215E+02 0.228E+02 -.395E+02   -.117E+00 -.228E+00 -.198E-01   0.100E-02 0.539E-03 0.402E-03
   -.272E+01 -.182E+02 0.245E+02   0.273E+01 0.183E+02 -.245E+02   -.923E-02 -.110E+00 -.105E-01   0.702E-03 -.189E-02 0.618E-03
   0.197E+01 -.114E+01 0.174E+02   -.198E+01 0.114E+01 -.174E+02   0.938E-02 -.542E-02 -.576E-02   0.787E-03 -.451E-03 0.118E-02
   0.293E+01 0.239E+01 0.151E+02   -.294E+01 -.241E+01 -.151E+02   0.144E-01 0.142E-01 -.662E-03   0.263E-03 0.656E-03 0.661E-03
   -.452E+01 0.102E+01 0.162E+02   0.454E+01 -.103E+01 -.162E+02   -.206E-01 0.172E-01 -.302E-02   0.640E-04 -.136E-02 0.205E-03
   -.112E+02 -.504E+01 0.184E+02   0.113E+02 0.505E+01 -.183E+02   -.247E-01 -.864E-02 -.529E-01   0.844E-03 -.147E-02 0.363E-03
   -.578E+01 -.688E+01 0.200E+02   0.579E+01 0.691E+01 -.200E+02   -.607E-02 -.336E-01 -.169E-01   -.218E-03 0.179E-03 0.924E-03
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.306E-03 0.867E+01   -.444E-14 0.298E-12 -.206E-12   0.345E-15 0.902E-16 -.868E+01   -.456E-07 0.327E-07 0.189E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85307      6.06126     12.33691         0.000000      0.000000      0.000506
      2.26249      6.77039     13.65347         0.001357      0.002351      0.006691
      1.44365      5.35213     13.65347        -0.001357     -0.002351      0.006691
      0.00058     -0.00034      9.95357        -0.000236      0.000136     -0.002881
     11.11343      2.13937      9.95568        -0.000584      0.000543     -0.000929
      9.87776      4.27911      9.96875        -0.000183      0.000152      0.000444
      8.64428      6.41864      9.96827         0.001150      0.000724     -0.000592
     -4.93686      8.55621      9.96281         0.000971      0.000670     -0.001676
      2.47053     -0.00115      9.96281        -0.000095     -0.001176     -0.001676
      1.23483      2.13621      9.96850        -0.000209      0.000185     -0.002133
     -0.00402      4.27515      9.99791         0.000233      0.001178     -0.001795
     -1.23859      6.41647     10.00369        -0.000110      0.001405     -0.000404
     -2.46742      8.55569      9.97581        -0.000568      0.000328      0.001618
      4.93918      0.00121      9.96827        -0.000052     -0.001358     -0.000592
      3.70525      2.13663      9.97651        -0.000320      0.000178     -0.001180
      2.47091      4.26351     10.04108        -0.000512     -0.000137      0.004495
      1.22857      6.42181     10.11238        -0.000904      0.000522      0.007473
     -0.00038      8.56111     10.00369        -0.001272     -0.000607     -0.000404
      7.40880      0.00276      9.96875        -0.000224      0.000083      0.000444
      6.17407      2.14020      9.96867         0.000569     -0.000238     -0.000810
      4.94081      4.27855      9.99763        -0.000412      0.000238     -0.000802
      3.71889      6.42507     10.04108        -0.000137      0.000512      0.004495
      2.47134      8.56260      9.99791        -0.000903     -0.000790     -0.001795
      9.87971      0.00250      9.95568        -0.000762      0.000234     -0.000929
      8.64363      2.14073      9.95876         0.000143     -0.000083     -0.003191
      7.40931      4.27970      9.96867         0.000491     -0.000373     -0.000810
      6.17799      6.41955      9.97651        -0.000315      0.000188     -0.001180
      4.94315      8.55920      9.96850        -0.000265      0.000088     -0.002133
     -0.00046      1.42484      9.95568         0.000762     -0.000234     -0.000929
     -1.23700      3.56332      9.96850         0.000265     -0.000088     -0.002133
     -2.47185      5.70297      9.97651         0.000315     -0.000188     -0.001180
     -3.70317      7.84282      9.96867        -0.000491      0.000373     -0.000810
     -4.93749      9.98179      9.95876        -0.000143      0.000083     -0.003191
      2.47045      1.42458      9.96875         0.000224     -0.000083      0.000444
      1.23481      3.55991      9.99791         0.000903      0.000790     -0.001795
     -0.01274      5.69745     10.04108         0.000137     -0.000512      0.004495
     -1.23467      7.84397      9.99763         0.000412     -0.000238     -0.000802
     -2.46793      9.98232      9.96867        -0.000569      0.000238     -0.000810
      4.94008      1.42613      9.96827         0.000052      0.001358     -0.000592
      3.70652      3.56141     10.00369         0.001272      0.000607     -0.000404
      2.47757      5.70071     10.11238         0.000904     -0.000522      0.007473
      1.23523      7.85901     10.04108         0.000512      0.000137      0.004495
      0.00089      9.98589      9.97651         0.000320     -0.000178     -0.001180
      7.40872      1.42849      9.96281         0.000095      0.001176     -0.001676
      6.17356      3.56683      9.97581         0.000568     -0.000328      0.001618
      4.94473      5.70605     10.00369         0.000110     -0.001405     -0.000404
      3.71017      7.84737      9.99791        -0.000233     -0.001178     -0.001795
      2.47131      9.98631      9.96850         0.000209     -0.000185     -0.002133
      9.87868      1.42768      9.95357         0.000236     -0.000136     -0.002881
      8.64300      3.56631      9.96281        -0.000971     -0.000670     -0.001676
      7.41072      5.70540      9.96827        -0.001150     -0.000724     -0.000592
      6.17724      7.84493      9.96875         0.000183     -0.000152      0.000444
      4.94156      9.98467      9.95568         0.000584     -0.000543     -0.000929
 -----------------------------------------------------------------------------------
    total drift:                               -0.001813      0.000306      0.001600


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




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


  
 reached required accuracy - stopping structural energy minimisation
 writing wavefunctions
     LOOP+:  VPU time 4200.76: CPU time 2211.17
 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.639   0.275   8.027   8.941
  2        0.514   0.028   0.000   0.542
  3        0.514   0.028   0.000   0.542
  4        0.864   1.783   0.000   2.646
  5        0.864   1.782   0.000   2.646
  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   2.646
 10        0.864   1.784   0.000   2.647
 11        0.863   1.782   0.000   2.645
 12        0.864   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        0.863   1.776   0.000   2.640
 17        0.856   1.772   0.000   2.628
 18        0.864   1.784   0.000   2.647
 19        0.864   1.782   0.000   2.646
 20        0.864   1.782   0.000   2.645
 21        0.863   1.781   0.000   2.644
 22        0.863   1.776   0.000   2.639
 23        0.863   1.783   0.000   2.646
 24        0.864   1.783   0.000   2.646
 25        0.863   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   1.783   0.000   2.647
 29        0.864   1.783   0.000   2.646
 30        0.864   1.783   0.000   2.647
 31        0.864   1.783   0.000   2.647
 32        0.864   1.782   0.000   2.646
 33        0.863   1.782   0.000   2.646
 34        0.864   1.782   0.000   2.646
 35        0.863   1.783   0.000   2.646
 36        0.863   1.776   0.000   2.639
 37        0.863   1.781   0.000   2.644
 38        0.864   1.782   0.000   2.645
 39        0.864   1.783   0.000   2.647
 40        0.864   1.784   0.000   2.647
 41        0.856   1.772   0.000   2.628
 42        0.863   1.776   0.000   2.640
 43        0.864   1.784   0.000   2.647
 44        0.864   1.783   0.000   2.646
 45        0.864   1.782   0.000   2.646
 46        0.864   1.784   0.000   2.648
 47        0.863   1.782   0.000   2.645
 48        0.864   1.784   0.000   2.647
 49        0.864   1.783   0.000   2.646
 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   1.782   0.000   2.646
------------------------------------------------
tot       44.828  89.418   8.027 142.273
 


 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: -3.147810;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
  
  
 General timing and accounting informations for this job:
 ========================================================
  
                  Total CPU time used (sec):   172617.870
                            User time (sec):   168097.490
                          System time (sec):     4520.380
                         Elapsed time (sec):    88684.742
  
                   Maximum memory used (kb):           0.
                   Average memory used (kb):           0.
  
                          Minor page faults:  -1548364871
                          Major page faults:            1
                 Voluntary context switches:       591142
