 vasp.4.6.27 26Jun05 complex 
 executed on             LinuxIFC date 2012.08.26  00:26:56
 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_b_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-   2 1.55   3 1.55  41 2.33  17 2.33
   2  0.499  0.632  0.683-   1 1.55
   3  0.368  0.501  0.683-   1 1.55
   4  0.000  1.000  0.497-  33 1.42  53 1.43  29 1.43
   5  1.000  0.200  0.498-  29 1.42  49 1.43  30 1.43
   6  1.000  0.400  0.498-  30 1.42  31 1.43  50 1.43
   7  1.000  0.600  0.498-  31 1.42  51 1.43  32 1.43
   8  0.000  0.800  0.498-  32 1.42  33 1.43  52 1.43
   9  0.200  1.000  0.498-  38 1.42  33 1.43  34 1.43
  10  0.200  0.200  0.498-  34 1.42  35 1.42  29 1.43
  11  0.200  0.400  0.500-  36 1.42  30 1.42  35 1.43
  12  0.200  0.600  0.500-  36 1.42  31 1.43  37 1.43
  13  0.200  0.800  0.499-  37 1.42  38 1.43  32 1.43
  14  0.400  0.000  0.498-  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  0.502-  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  0.500-  42 1.42  43 1.43  37 1.43
  19  0.600  0.000  0.498-  48 1.42  43 1.43  44 1.43
  20  0.600  0.200  0.498-  44 1.42  39 1.43  45 1.43
  21  0.600  0.400  0.500-  45 1.42  46 1.43  40 1.43
  22  0.601  0.601  0.502-  46 1.42  47 1.42  41 1.44
  23  0.600  0.800  0.500-  42 1.42  48 1.42  47 1.43
  24  0.800  0.000  0.498-  53 1.42  49 1.43  48 1.43
  25  0.800  0.200  0.498-  49 1.42  44 1.43  50 1.43
  26  0.800  0.400  0.498-  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  0.498-  52 1.42  47 1.42  53 1.43
  29  0.067  0.133  0.498-   5 1.42   4 1.43  10 1.43
  30  0.066  0.333  0.498-   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  0.498-   8 1.42   7 1.43  13 1.43
  33  0.067  0.933  0.498-   4 1.42   8 1.43   9 1.43
  34  0.267  0.133  0.498-  10 1.42  15 1.43   9 1.43
  35  0.266  0.333  0.500-  16 1.42  10 1.42  11 1.43
  36  0.265  0.533  0.502-  12 1.42  11 1.42  17 1.44
  37  0.267  0.733  0.500-  13 1.42  12 1.43  18 1.43
  38  0.267  0.933  0.498-   9 1.42  14 1.43  13 1.43
  39  0.467  0.133  0.498-  15 1.42  14 1.43  20 1.43
  40  0.467  0.333  0.500-  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  0.502-  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  0.133  0.498-  20 1.42  25 1.43  19 1.43
  45  0.667  0.333  0.499-  21 1.42  26 1.43  20 1.43
  46  0.667  0.533  0.500-  22 1.42  27 1.43  21 1.43
  47  0.667  0.734  0.500-  22 1.42  28 1.42  23 1.43
  48  0.667  0.934  0.498-  19 1.42  23 1.42  24 1.43
  49  0.867  0.133  0.497-  25 1.42   5 1.43  24 1.43
  50  0.867  0.333  0.498-  26 1.42  25 1.43   6 1.43
  51  0.867  0.533  0.498-  27 1.42   7 1.43  26 1.43
  52  0.867  0.733  0.498-  28 1.42  27 1.43   8 1.43
  53  0.867  0.933  0.498-  24 1.42   4 1.43  28 1.43
 
  LATTYP: Found a base centered orthorhombic cell.
 ALAT       =    12.3599653713
 B/A-ratio  =     1.7288387872
 C/A-ratio  =     1.6162506163
  
  Lattice vectors:
  
 A1 = (  12.3427747136,   0.0099290344,   0.0000000000)
 A2 = (  -6.1627952037,  10.6941168006,   0.0000000000)
 A3 = (   0.0000000000,   0.0000000000,  19.9768016488)
 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  0.009334  0.000000      4.000000
  0.032393  0.018667  0.000000      4.000000
  0.016181  0.028027  0.000000      2.000000
  0.032378  0.037360  0.000000      4.000000
 -0.032408  0.000026  0.000000      4.000000
 -0.016211  0.009360  0.000000      2.000000
  0.032363  0.056054  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_b_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
    12.342774714  0.009929034  0.000000000     0.080981518  0.046667950  0.000000000
    -6.162795204 10.694116801  0.000000000    -0.000075188  0.093466029  0.000000000
     0.000000000  0.000000000 19.976801649     0.000000000  0.000000000  0.050058063

  length of vectors
    12.342778707 12.342778410 19.976801649     0.093466057  0.093466059  0.050058063


 
 old parameters found on file WAVECAR:
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.357710880 -0.006559800  0.000000000     0.080945974  0.046791557  0.000000000
    -6.184543038 10.698807458  0.000000000     0.000049631  0.093497051  0.000000000
     0.000000000  0.000000000 19.959278986     0.000000000  0.000000000  0.050102010

  length of vectors

 
 k-points in units of 2pi/SCALE and weight: K-Points                                
   0.00000000  0.00000000  0.00000000       0.040
   0.01619630  0.00933359  0.00000000       0.160
   0.03239261  0.01866718  0.00000000       0.160
   0.01618127  0.02802680  0.00000000       0.080
   0.03237757  0.03736039  0.00000000       0.160
  -0.03240764  0.00002603  0.00000000       0.160
  -0.01621134  0.00935962  0.00000000       0.080
   0.03236253  0.05605359  0.00000000       0.080
  -0.03242268  0.01871923  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  0.61658647
   0.49909826  0.63243159  0.68275148
   0.36756841  0.50090179  0.68275148
   0.00006354  0.99993646  0.49740476
   0.99992584  0.19985464  0.49753729
   0.99987506  0.39992513  0.49821941
   0.99997923  0.59996551  0.49823957
   0.00016378  0.79996594  0.49789859
   0.20003407  0.99983622  0.49789859
   0.19988078  0.19969994  0.49819396
   0.19951969  0.39966475  0.49973080
   0.19962121  0.59987461  0.50009903
   0.20010794  0.79989207  0.49864401
   0.40003452  0.00002077  0.49823957
   0.39991359  0.19968435  0.49866174
   0.39937193  0.39852132  0.50202433
   0.39963584  0.60036419  0.50571924
   0.40012542  0.80037880  0.50009903
   0.60007490  0.00012494  0.49821941
   0.59998845  0.19997749  0.49825575
   0.60008195  0.39991808  0.49979165
   0.60147871  0.60062810  0.50202433
   0.60033528  0.80048033  0.49973080
   0.80014537  0.00007416  0.49753729
   0.79999579  0.20000422  0.49765506
   0.80002253  0.40001158  0.49825575
   0.80031566  0.60008644  0.49866174
   0.80030008  0.80011923  0.49819396
   0.06652131  0.13325918  0.49753729
   0.06636661  0.33321412  0.49819396
   0.06635102  0.53324694  0.49866174
   0.06664416  0.73332178  0.49825575
   0.06667089  0.93332912  0.49765506
   0.26659180  0.13320840  0.49821941
   0.26633142  0.33285303  0.49973080
   0.26518799  0.53270529  0.50202433
   0.26658476  0.73341527  0.49979165
   0.26667825  0.93335585  0.49825575
   0.46663215  0.13331257  0.49823957
   0.46654126  0.33295455  0.50009903
   0.46703083  0.53296920  0.50571924
   0.46729474  0.73481204  0.50202433
   0.46675309  0.93364899  0.49866174
   0.66663262  0.13349712  0.49789859
   0.66655875  0.33344128  0.49864401
   0.66704548  0.53345877  0.50009903
   0.66714700  0.73366861  0.49973080
   0.66678591  0.93363340  0.49819396
   0.86660313  0.13339688  0.49740476
   0.86650289  0.33336741  0.49789859
   0.86668744  0.53336788  0.49823957
   0.86679162  0.73340823  0.49821941
   0.86674083  0.93347870  0.49753729
 
 position of ions in cartesian coordinates  (Angst):
   1.85628499  6.06430238 12.31742556
   2.26271106  6.76825287 13.63919099
   1.44985891  5.36035189 13.63919099
  -6.16161933 10.69343791  9.93655624
  11.11019618  2.14719716  9.93920378
   9.87657590  4.28677384  9.95283030
   8.64505383  6.42603002  9.95323311
  -4.92800471  8.55493083  9.94642140
  -3.69281032 10.69435142  9.94642140
   1.23637362  2.13759909  9.95232199
  -0.00042543  4.27604255  9.98302308
  -1.23302474  6.41711120  9.99037917
  -2.45968375  8.55612612  9.96131258
   4.93740802  0.00419406  9.95323311
   3.70542954  2.13941854  9.96166662
   2.47335251  4.26579888 10.02884048
   1.23269366  6.42433273 10.10265296
   0.00608725  8.56331728  9.99037917
   7.40581931  0.00729433  9.95283030
   6.17310198  2.14453992  9.95355630
   4.94206307  4.28272891  9.98423868
   3.72236830  6.42915915 10.02884048
   2.47660681  8.56639085  9.98302308
   9.87555708  0.00873773  9.93920378
   8.64158273  2.14681173  9.94155645
   7.40930838  4.28571399  9.95355630
   6.17990607  6.42534088  9.96166662
   4.94695257  8.56451476  9.95232199
  -0.00019154  1.42574975  9.93920378
  -1.23438233  3.56408968  9.95232199
  -2.46733602  5.70326388  9.96166662
  -3.69673813  7.84289045  9.95355630
  -4.92901239  9.98179255  9.94155645
   2.46954651  1.42719315  9.95283030
   1.23596372  3.56221359  9.98302308
  -0.00979795  5.69944561 10.02884048
  -1.22949254  7.84587553  9.98423868
  -2.46053137  9.98406435  9.95355630
   4.93795743  1.43029342  9.95323311
   3.70648290  3.56528716  9.99037917
   2.47987631  5.70427203 10.10265296
   1.23921764  7.86280556 10.02884048
   0.00714071  9.98918573  9.96166662
   7.40538075  1.43425285  9.94642140
   6.17225410  3.57247832  9.96131258
   4.94559490  5.71149356  9.99037917
   3.71299577  7.85256189  9.98302308
   2.47619681  9.99100519  9.95232199
   9.87418958  1.43516637  9.93655624
   8.64057487  3.57367361  9.94642140
   7.41029085  5.71250377  9.95323311
   6.17876897  7.85175963  9.95283030
   4.94514878  9.99133615  9.93920378
 


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


 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         5242
 Maximum index for augmentation-charges        12272 (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    9.13: CPU time    9.13
    SETDIJ:  VPU time    0.33: CPU time    0.33
    EDDAV :  VPU time 1869.13: CPU time  964.28
 BZINTS: Fermi energy: -3.114851;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  115.32: CPU time   58.35
    MIXING:  VPU time    0.14: CPU time    0.13
    ------------------------------------------
      LOOP:  VPU time 1994.12: CPU time 1032.26

 eigenvalue-minimisations  :  6288
 total energy-change (2. order) :-0.4704155E+03  (-0.3768567E+02)
 number of electron  212.0000066 magnetization    0.0000000
 augmentation part     7.9313183 magnetization   -0.0000017

 Broyden mixing:
  rms(total) = 0.46668E-01    rms(broyden)= 0.46645E-01
  rms(prec ) = 0.50971E-01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34044.77381855
  -1/2 Hartree   DENC   =    -40944.72145438
  -V(xc)+E(xc)   XCENC  =       726.58150369
  PAW double counting   =      4075.38478218    -4114.15634190
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2463.71762610
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -470.41546434 eV

  energy without entropy =     -470.41546434  energy(sigma->0) =     -470.41546434


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




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


    POTLOK:  VPU time    9.06: CPU time    9.06
    SETDIJ:  VPU time    0.33: CPU time    0.33
    EDDAV :  VPU time 2035.22: CPU time 1050.86
 BZINTS: Fermi energy: -3.123285;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  115.07: CPU time   58.35
    MIXING:  VPU time    0.15: CPU time    0.16
    ------------------------------------------
      LOOP:  VPU time 2159.86: CPU time 1118.79

 eigenvalue-minimisations  :  7040
 total energy-change (2. order) :-0.1186066E+01  (-0.1190169E+01)
 number of electron  212.0000066 magnetization    0.0000000
 augmentation part     7.9484830 magnetization    0.0000004

 Broyden mixing:
  rms(total) = 0.27287E-01    rms(broyden)= 0.27260E-01
  rms(prec ) = 0.28876E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.7087
  0.7087

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34044.77381855
  -1/2 Hartree   DENC   =    -40941.84373690
  -V(xc)+E(xc)   XCENC  =       726.44814721
  PAW double counting   =      4077.83870936    -4116.37329554
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2467.88502698
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.60153070 eV

  energy without entropy =     -471.60153070  energy(sigma->0) =     -471.60153070


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




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


    POTLOK:  VPU time    9.04: CPU time    9.04
    SETDIJ:  VPU time    0.33: CPU time    0.33
    EDDAV :  VPU time 2376.73: CPU time 1223.49
 BZINTS: Fermi energy: -3.147800;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  115.70: CPU time   58.36
    MIXING:  VPU time    0.17: CPU time    0.17
    ------------------------------------------
      LOOP:  VPU time 2502.03: CPU time 1291.43

 eigenvalue-minimisations  :  8512
 total energy-change (2. order) :-0.3951074E-01  (-0.4066313E-01)
 number of electron  212.0000066 magnetization    0.0000000
 augmentation part     7.9614321 magnetization   -0.0000004

 Broyden mixing:
  rms(total) = 0.18066E-01    rms(broyden)= 0.18062E-01
  rms(prec ) = 0.19130E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1566
  1.1566  1.1566

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34044.77381855
  -1/2 Hartree   DENC   =    -40942.61496908
  -V(xc)+E(xc)   XCENC  =       726.49704476
  PAW double counting   =      4082.30410663    -4120.79818569
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2467.24271022
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64104143 eV

  energy without entropy =     -471.64104143  energy(sigma->0) =     -471.64104143


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




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


    POTLOK:  VPU time    9.04: CPU time    9.04
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1988.45: CPU time 1024.84
 BZINTS: Fermi energy: -3.138923;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  115.34: CPU time   58.31
    MIXING:  VPU time    0.18: CPU time    0.18
    ------------------------------------------
      LOOP:  VPU time 2113.41: CPU time 1092.74

 eigenvalue-minimisations  :  6816
 total energy-change (2. order) :-0.8039349E-05  (-0.7512558E-03)
 number of electron  212.0000066 magnetization    0.0000000
 augmentation part     7.9598565 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.74754E-02    rms(broyden)= 0.74753E-02
  rms(prec ) = 0.78365E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3864
  2.3678  0.8956  0.8956

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34044.77381855
  -1/2 Hartree   DENC   =    -40944.17230703
  -V(xc)+E(xc)   XCENC  =       726.57198429
  PAW double counting   =      4088.54074724    -4126.99333980
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.80180633
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64104947 eV

  energy without entropy =     -471.64104947  energy(sigma->0) =     -471.64104947


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




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


    POTLOK:  VPU time    9.06: CPU time    9.06
    SETDIJ:  VPU time    0.33: CPU time    0.34
    EDDAV :  VPU time 2049.98: CPU time 1056.83
 BZINTS: Fermi energy: -3.072215;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 2059.41: CPU time 1066.26

 eigenvalue-minimisations  :  7064
 total energy-change (2. order) : 0.2017847E-04  (-0.8731788E-04)
 number of electron  212.0000066 magnetization    0.0000000
 augmentation part     7.9598565 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34044.77381855
  -1/2 Hartree   DENC   =    -40945.15986278
  -V(xc)+E(xc)   XCENC  =       726.62049280
  PAW double counting   =      4093.08341227    -4131.49008617
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2464.90865758
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64102930 eV

  energy without entropy =     -471.64102930  energy(sigma->0) =     -471.64102930


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




 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 -58.5496       2 -39.9874       3 -39.9874       4 -58.2432       5 -58.2470
       6 -58.2522       7 -58.2436       8 -58.2427       9 -58.2427      10 -58.2574
      11 -58.3107      12 -58.2885      13 -58.2477      14 -58.2436      15 -58.2542
      16 -58.4330      17 -58.7270      18 -58.2885      19 -58.2522      20 -58.2477
      21 -58.2736      22 -58.4330      23 -58.3108      24 -58.2470      25 -58.2417
      26 -58.2478      27 -58.2542      28 -58.2574      29 -58.2468      30 -58.2573
      31 -58.2541      32 -58.2477      33 -58.2416      34 -58.2521      35 -58.3106
      36 -58.4330      37 -58.2735      38 -58.2477      39 -58.2435      40 -58.2883
      41 -58.7269      42 -58.4330      43 -58.2541      44 -58.2426      45 -58.2476
      46 -58.2883      47 -58.3107      48 -58.2573      49 -58.2431      50 -58.2426
      51 -58.2435      52 -58.2521      53 -58.2469
 
 
 
 E-fermi :  -3.0722     XC(G=0):  -2.3640     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3542      1.00000
      2     -21.5343      1.00000
      3     -21.4048      1.00000
      4     -21.4040      1.00000
      5     -21.3734      1.00000
      6     -21.3630      1.00000
      7     -21.3557      1.00000
      8     -19.6451      1.00000
      9     -19.5673      1.00000
     10     -19.5660      1.00000
     11     -19.5543      1.00000
     12     -19.5371      1.00000
     13     -19.5369      1.00000
     14     -18.7281      1.00000
     15     -18.6730      1.00000
     16     -18.6714      1.00000
     17     -18.6593      1.00000
     18     -18.6433      1.00000
     19     -18.6350      1.00000
     20     -16.5960      1.00000
     21     -16.5245      1.00000
     22     -16.5212      1.00000
     23     -16.5146      1.00000
     24     -16.4805      1.00000
     25     -16.4702      1.00000
     26     -15.5758      1.00000
     27     -15.5144      1.00000
     28     -15.5143      1.00000
     29     -15.5109      1.00000
     30     -15.4870      1.00000
     31     -15.4770      1.00000
     32     -14.2046      1.00000
     33     -14.1781      1.00000
     34     -14.1649      1.00000
     35     -14.1621      1.00000
     36     -14.1580      1.00000
     37     -14.1464      1.00000
     38     -11.8908      1.00000
     39     -11.8135      1.00000
     40     -11.7992      1.00000
     41     -11.7959      1.00000
     42     -11.7705      1.00000
     43     -11.7630      1.00000
     44     -11.7043      1.00000
     45     -11.6965      1.00000
     46     -11.6683      1.00000
     47     -11.6574      1.00000
     48     -11.6550      1.00000
     49     -11.6473      1.00000
     50     -10.6774      1.00000
     51     -10.3386      1.00000
     52     -10.3217      1.00000
     53     -10.3087      1.00000
     54     -10.2940      1.00000
     55     -10.2792      1.00000
     56     -10.2698      1.00000
     57      -9.9312      1.00000
     58      -9.3701      1.00000
     59      -9.3592      1.00000
     60      -9.2998      1.00000
     61      -9.2888      1.00000
     62      -9.2829      1.00000
     63      -9.0903      1.00000
     64      -9.0573      1.00000
     65      -9.0446      1.00000
     66      -9.0228      1.00000
     67      -9.0054      1.00000
     68      -8.9995      1.00000
     69      -8.9960      1.00000
     70      -8.9955      1.00000
     71      -8.9888      1.00000
     72      -8.9695      1.00000
     73      -8.9601      1.00000
     74      -8.9532      1.00000
     75      -8.5079      1.00000
     76      -7.5119      1.00000
     77      -7.4107      1.00000
     78      -7.4071      1.00000
     79      -7.3961      1.00000
     80      -7.3821      1.00000
     81      -7.3650      1.00000
     82      -7.3375      1.00000
     83      -7.3037      1.00000
     84      -7.2715      1.00000
     85      -7.2004      1.00000
     86      -7.1786      1.00000
     87      -7.1778      1.00000
     88      -7.0732      1.00000
     89      -6.4993      1.00000
     90      -6.4657      1.00000
     91      -6.3599      1.00000
     92      -6.2981      1.00000
     93      -6.2882      1.00000
     94      -6.2733      1.00000
     95      -5.9145      1.00000
     96      -5.8625      1.00000
     97      -5.0472      1.00000
     98      -4.9445      1.00000
     99      -4.5407      1.00000
    100      -4.3513      1.00000
    101      -4.3217      1.00000
    102      -4.3027      1.00000
    103      -4.1221      1.00000
    104      -3.9167      1.00000
    105      -3.8908      1.00000
    106      -3.8421      1.00000
    107      -1.6847      0.00000
    108      -1.6716      0.00000
    109      -1.5543      0.00000
    110      -1.5229      0.00000
    111      -1.5100      0.00000
    112      -1.4994      0.00000
    113      -0.5848      0.00000
    114       0.1291      0.00000
    115       0.2102      0.00000
    116       0.3182      0.00000
    117       0.3332      0.00000
    118       0.3390      0.00000
    119       0.5030      0.00000
    120       0.5937      0.00000
    121       1.2622      0.00000
    122       1.2644      0.00000
    123       1.5294      0.00000
    124       1.7462      0.00000
    125       1.7986      0.00000
    126       1.8067      0.00000
    127       1.8068      0.00000
    128       1.9478      0.00000
    129       1.9718      0.00000
    130       2.0361      0.00000
    131       2.0517      0.00000
    132       2.0525      0.00000
    133       2.0564      0.00000
    134       2.0578      0.00000
    135       2.3180      0.00000
    136       2.3210      0.00000
    137       2.6015      0.00000
    138       2.6228      0.00000
    139       2.6362      0.00000
    140       2.7070      0.00000
    141       2.8425      0.00000
    142       2.9858      0.00000
    143       3.0126      0.00000
    144       3.0195      0.00000
    145       3.0291      0.00000
    146       3.0371      0.00000
    147       3.0560      0.00000
    148       3.2311      0.00000
    149       3.4206      0.00000
    150       3.5538      0.00000
    151       3.7828      0.00000
    152       3.9304      0.00000
    153       3.9315      0.00000
    154       3.9433      0.00000
    155       3.9591      0.00000
    156       4.0000      0.00000
    157       4.1455      0.00000
    158       4.2499      0.00000
    159       4.2799      0.00000
    160       4.2806      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3176      1.00000
      2     -21.7594      1.00000
      3     -21.5678      1.00000
      4     -21.5352      1.00000
      5     -21.2053      1.00000
      6     -21.1605      1.00000
      7     -20.9858      1.00000
      8     -20.1004      1.00000
      9     -20.0558      1.00000
     10     -19.5423      1.00000
     11     -19.5170      1.00000
     12     -19.3493      1.00000
     13     -19.0245      1.00000
     14     -18.9850      1.00000
     15     -18.9797      1.00000
     16     -18.9662      1.00000
     17     -18.2967      1.00000
     18     -18.2714      1.00000
     19     -17.9547      1.00000
     20     -17.0146      1.00000
     21     -16.9618      1.00000
     22     -16.8877      1.00000
     23     -16.8502      1.00000
     24     -16.4049      1.00000
     25     -16.3727      1.00000
     26     -15.5630      1.00000
     27     -15.5229      1.00000
     28     -15.2079      1.00000
     29     -15.1687      1.00000
     30     -15.1105      1.00000
     31     -15.0239      1.00000
     32     -14.9923      1.00000
     33     -14.6346      1.00000
     34     -14.6209      1.00000
     35     -13.6662      1.00000
     36     -13.6508      1.00000
     37     -13.1674      1.00000
     38     -12.5558      1.00000
     39     -12.5005      1.00000
     40     -12.3876      1.00000
     41     -12.3743      1.00000
     42     -12.0629      1.00000
     43     -12.0392      1.00000
     44     -11.6566      1.00000
     45     -11.6134      1.00000
     46     -11.1864      1.00000
     47     -11.1366      1.00000
     48     -10.9646      1.00000
     49     -10.9404      1.00000
     50     -10.8833      1.00000
     51     -10.8273      1.00000
     52     -10.6046      1.00000
     53     -10.0855      1.00000
     54     -10.0828      1.00000
     55     -10.0426      1.00000
     56      -9.9693      1.00000
     57      -9.6634      1.00000
     58      -9.6201      1.00000
     59      -9.5960      1.00000
     60      -9.5246      1.00000
     61      -9.5116      1.00000
     62      -9.4737      1.00000
     63      -9.2642      1.00000
     64      -9.2421      1.00000
     65      -9.2187      1.00000
     66      -9.1610      1.00000
     67      -9.0668      1.00000
     68      -9.0480      1.00000
     69      -9.0350      1.00000
     70      -8.8826      1.00000
     71      -8.8021      1.00000
     72      -8.5824      1.00000
     73      -8.5237      1.00000
     74      -8.4665      1.00000
     75      -8.0297      1.00000
     76      -7.8134      1.00000
     77      -7.8053      1.00000
     78      -7.7908      1.00000
     79      -7.7018      1.00000
     80      -7.6875      1.00000
     81      -7.3586      1.00000
     82      -7.2673      1.00000
     83      -7.2596      1.00000
     84      -7.2087      1.00000
     85      -7.1679      1.00000
     86      -7.0108      1.00000
     87      -6.9489      1.00000
     88      -6.7420      1.00000
     89      -6.6699      1.00000
     90      -6.5938      1.00000
     91      -6.5596      1.00000
     92      -6.0488      1.00000
     93      -6.0349      1.00000
     94      -6.0226      1.00000
     95      -5.9602      1.00000
     96      -5.7429      1.00000
     97      -5.1536      1.00000
     98      -4.9952      1.00000
     99      -4.7276      1.00000
    100      -4.6107      1.00000
    101      -4.4345      1.00000
    102      -4.3767      1.00000
    103      -4.1247      1.00000
    104      -3.8718      1.00000
    105      -3.8413      1.00000
    106      -3.7788      1.00000
    107      -1.7994      0.00000
    108      -1.7354      0.00000
    109      -1.3860      0.00000
    110      -1.3611      0.00000
    111      -1.2522      0.00000
    112      -1.2158      0.00000
    113      -0.7399      0.00000
    114      -0.3726      0.00000
    115      -0.2292      0.00000
    116      -0.0109      0.00000
    117       0.5881      0.00000
    118       0.7338      0.00000
    119       0.7645      0.00000
    120       1.0518      0.00000
    121       1.1472      0.00000
    122       1.2568      0.00000
    123       1.2686      0.00000
    124       1.4121      0.00000
    125       1.4767      0.00000
    126       1.5879      0.00000
    127       1.7288      0.00000
    128       1.8304      0.00000
    129       1.8870      0.00000
    130       1.9579      0.00000
    131       2.0919      0.00000
    132       2.2409      0.00000
    133       2.2445      0.00000
    134       2.2857      0.00000
    135       2.4818      0.00000
    136       2.5801      0.00000
    137       2.6165      0.00000
    138       2.7556      0.00000
    139       2.7686      0.00000
    140       2.8099      0.00000
    141       2.8648      0.00000
    142       2.8896      0.00000
    143       2.9296      0.00000
    144       3.0784      0.00000
    145       3.2601      0.00000
    146       3.2810      0.00000
    147       3.3379      0.00000
    148       3.3619      0.00000
    149       3.4637      0.00000
    150       3.5504      0.00000
    151       3.6078      0.00000
    152       3.6691      0.00000
    153       3.6984      0.00000
    154       3.8880      0.00000
    155       3.9248      0.00000
    156       3.9800      0.00000
    157       4.0647      0.00000
    158       4.1778      0.00000
    159       4.2415      0.00000
    160       4.3041      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2120      1.00000
      2     -22.0059      1.00000
      3     -21.6463      1.00000
      4     -21.6096      1.00000
      5     -20.9109      1.00000
      6     -20.8644      1.00000
      7     -20.5440      1.00000
      8     -20.5057      1.00000
      9     -20.4935      1.00000
     10     -19.9631      1.00000
     11     -19.4388      1.00000
     12     -19.4106      1.00000
     13     -19.2380      1.00000
     14     -19.2223      1.00000
     15     -18.3850      1.00000
     16     -18.3395      1.00000
     17     -17.8614      1.00000
     18     -17.8308      1.00000
     19     -17.6997      1.00000
     20     -17.6559      1.00000
     21     -17.3765      1.00000
     22     -17.3443      1.00000
     23     -17.2809      1.00000
     24     -16.3942      1.00000
     25     -16.3766      1.00000
     26     -15.8882      1.00000
     27     -15.3567      1.00000
     28     -15.3281      1.00000
     29     -15.0355      1.00000
     30     -15.0148      1.00000
     31     -14.8076      1.00000
     32     -14.7817      1.00000
     33     -14.2214      1.00000
     34     -14.1797      1.00000
     35     -13.3731      1.00000
     36     -13.3245      1.00000
     37     -13.1203      1.00000
     38     -13.1024      1.00000
     39     -12.9104      1.00000
     40     -12.8968      1.00000
     41     -12.5592      1.00000
     42     -12.5405      1.00000
     43     -12.1311      1.00000
     44     -11.5213      1.00000
     45     -11.4699      1.00000
     46     -11.2582      1.00000
     47     -11.2126      1.00000
     48     -11.0777      1.00000
     49     -10.6618      1.00000
     50     -10.5772      1.00000
     51     -10.5226      1.00000
     52     -10.2598      1.00000
     53     -10.2462      1.00000
     54     -10.1223      1.00000
     55     -10.0465      1.00000
     56     -10.0328      1.00000
     57      -9.7684      1.00000
     58      -9.7058      1.00000
     59      -9.6739      1.00000
     60      -9.6271      1.00000
     61      -9.6245      1.00000
     62      -9.5850      1.00000
     63      -9.2923      1.00000
     64      -9.2815      1.00000
     65      -9.2479      1.00000
     66      -9.0916      1.00000
     67      -8.8948      1.00000
     68      -8.8894      1.00000
     69      -8.7228      1.00000
     70      -8.5903      1.00000
     71      -8.5108      1.00000
     72      -8.3316      1.00000
     73      -8.3012      1.00000
     74      -8.2673      1.00000
     75      -8.2352      1.00000
     76      -8.1986      1.00000
     77      -8.1907      1.00000
     78      -8.1689      1.00000
     79      -8.1059      1.00000
     80      -7.6906      1.00000
     81      -7.3497      1.00000
     82      -7.3006      1.00000
     83      -7.2540      1.00000
     84      -7.1803      1.00000
     85      -7.1169      1.00000
     86      -7.0744      1.00000
     87      -6.8995      1.00000
     88      -6.8793      1.00000
     89      -6.5525      1.00000
     90      -6.4844      1.00000
     91      -6.2137      1.00000
     92      -6.0707      1.00000
     93      -5.9463      1.00000
     94      -5.7087      1.00000
     95      -5.6370      1.00000
     96      -5.4561      1.00000
     97      -5.3000      1.00000
     98      -5.2445      1.00000
     99      -5.1629      1.00000
    100      -5.1409      1.00000
    101      -4.5215      1.00000
    102      -4.4739      1.00000
    103      -4.1448      1.00000
    104      -3.8443      1.00000
    105      -3.7540      1.00000
    106      -3.6718      1.00000
    107      -1.8792      0.00000
    108      -1.8286      0.00000
    109      -1.2704      0.00000
    110      -1.0507      0.00000
    111      -0.9993      0.00000
    112      -0.7050      0.00000
    113      -0.6492      0.00000
    114      -0.5829      0.00000
    115      -0.5352      0.00000
    116      -0.1973      0.00000
    117       0.2527      0.00000
    118       0.2912      0.00000
    119       0.7592      0.00000
    120       0.9446      0.00000
    121       1.1300      0.00000
    122       1.2254      0.00000
    123       1.3200      0.00000
    124       1.4095      0.00000
    125       1.5976      0.00000
    126       1.6308      0.00000
    127       1.6919      0.00000
    128       1.8109      0.00000
    129       1.9224      0.00000
    130       2.0060      0.00000
    131       2.0571      0.00000
    132       2.2835      0.00000
    133       2.3974      0.00000
    134       2.4282      0.00000
    135       2.5374      0.00000
    136       2.6304      0.00000
    137       2.7031      0.00000
    138       2.7689      0.00000
    139       2.8326      0.00000
    140       2.8779      0.00000
    141       3.0371      0.00000
    142       3.0826      0.00000
    143       3.1841      0.00000
    144       3.2271      0.00000
    145       3.3648      0.00000
    146       3.4173      0.00000
    147       3.4817      0.00000
    148       3.5728      0.00000
    149       3.5945      0.00000
    150       3.6314      0.00000
    151       3.6833      0.00000
    152       3.7261      0.00000
    153       3.7521      0.00000
    154       3.7758      0.00000
    155       3.8717      0.00000
    156       3.9652      0.00000
    157       3.9769      0.00000
    158       4.1227      0.00000
    159       4.1812      0.00000
    160       4.2529      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2459      1.00000
      2     -21.8915      1.00000
      3     -21.8207      1.00000
      4     -21.3084      1.00000
      5     -21.2779      1.00000
      6     -20.7701      1.00000
      7     -20.7038      1.00000
      8     -20.5565      1.00000
      9     -20.0040      1.00000
     10     -19.9962      1.00000
     11     -19.6470      1.00000
     12     -19.6225      1.00000
     13     -18.9264      1.00000
     14     -18.9174      1.00000
     15     -18.5613      1.00000
     16     -18.5489      1.00000
     17     -18.3980      1.00000
     18     -17.6213      1.00000
     19     -17.5637      1.00000
     20     -17.5588      1.00000
     21     -17.5179      1.00000
     22     -17.0500      1.00000
     23     -17.0345      1.00000
     24     -16.8671      1.00000
     25     -15.9052      1.00000
     26     -15.8826      1.00000
     27     -15.5092      1.00000
     28     -15.5086      1.00000
     29     -15.2504      1.00000
     30     -14.7823      1.00000
     31     -14.7561      1.00000
     32     -14.5195      1.00000
     33     -14.4758      1.00000
     34     -14.1011      1.00000
     35     -14.0901      1.00000
     36     -13.0534      1.00000
     37     -13.0307      1.00000
     38     -12.9697      1.00000
     39     -12.9597      1.00000
     40     -12.6454      1.00000
     41     -12.6383      1.00000
     42     -12.2665      1.00000
     43     -12.2351      1.00000
     44     -11.5915      1.00000
     45     -11.5617      1.00000
     46     -11.5174      1.00000
     47     -10.9042      1.00000
     48     -10.8501      1.00000
     49     -10.6224      1.00000
     50     -10.5520      1.00000
     51     -10.4792      1.00000
     52     -10.4232      1.00000
     53     -10.4145      1.00000
     54     -10.3488      1.00000
     55     -10.2960      1.00000
     56     -10.0650      1.00000
     57      -9.8313      1.00000
     58      -9.5501      1.00000
     59      -9.4898      1.00000
     60      -9.4720      1.00000
     61      -9.3412      1.00000
     62      -9.3262      1.00000
     63      -9.3059      1.00000
     64      -9.3044      1.00000
     65      -9.2104      1.00000
     66      -9.1175      1.00000
     67      -9.0852      1.00000
     68      -9.0645      1.00000
     69      -8.8509      1.00000
     70      -8.7865      1.00000
     71      -8.7696      1.00000
     72      -8.5284      1.00000
     73      -8.4783      1.00000
     74      -8.2274      1.00000
     75      -8.1124      1.00000
     76      -8.1016      1.00000
     77      -7.8009      1.00000
     78      -7.7746      1.00000
     79      -7.7726      1.00000
     80      -7.6692      1.00000
     81      -7.6304      1.00000
     82      -7.6301      1.00000
     83      -7.3994      1.00000
     84      -7.3258      1.00000
     85      -7.1970      1.00000
     86      -6.8330      1.00000
     87      -6.8251      1.00000
     88      -6.6585      1.00000
     89      -6.5365      1.00000
     90      -6.3253      1.00000
     91      -6.2935      1.00000
     92      -6.1807      1.00000
     93      -6.1549      1.00000
     94      -5.9857      1.00000
     95      -5.5813      1.00000
     96      -5.4355      1.00000
     97      -5.2690      1.00000
     98      -5.2435      1.00000
     99      -5.1586      1.00000
    100      -4.6830      1.00000
    101      -4.6673      1.00000
    102      -4.3500      1.00000
    103      -4.3148      1.00000
    104      -3.9681      1.00000
    105      -3.8385      1.00000
    106      -3.3687      1.00000
    107      -2.2402      0.00000
    108      -1.3858      0.00000
    109      -1.2947      0.00000
    110      -1.1736      0.00000
    111      -1.0741      0.00000
    112      -0.8825      0.00000
    113      -0.7527      0.00000
    114      -0.7432      0.00000
    115      -0.2132      0.00000
    116       0.1068      0.00000
    117       0.2561      0.00000
    118       0.3612      0.00000
    119       0.7319      0.00000
    120       0.9018      0.00000
    121       0.9701      0.00000
    122       1.0958      0.00000
    123       1.2039      0.00000
    124       1.5317      0.00000
    125       1.5522      0.00000
    126       1.7141      0.00000
    127       1.8408      0.00000
    128       1.8628      0.00000
    129       1.9280      0.00000
    130       2.0006      0.00000
    131       2.1399      0.00000
    132       2.2618      0.00000
    133       2.4047      0.00000
    134       2.4567      0.00000
    135       2.4659      0.00000
    136       2.6644      0.00000
    137       2.6819      0.00000
    138       2.7292      0.00000
    139       2.7407      0.00000
    140       2.8822      0.00000
    141       3.0131      0.00000
    142       3.0735      0.00000
    143       3.1560      0.00000
    144       3.2056      0.00000
    145       3.2472      0.00000
    146       3.2483      0.00000
    147       3.3502      0.00000
    148       3.4650      0.00000
    149       3.5325      0.00000
    150       3.6956      0.00000
    151       3.7359      0.00000
    152       3.7798      0.00000
    153       3.8075      0.00000
    154       3.8647      0.00000
    155       3.9352      0.00000
    156       3.9725      0.00000
    157       4.0059      0.00000
    158       4.0220      0.00000
    159       4.1141      0.00000
    160       4.2309      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1399      1.00000
      2     -22.0447      1.00000
      3     -21.8840      1.00000
      4     -21.3317      1.00000
      5     -20.9800      1.00000
      6     -20.9412      1.00000
      7     -20.4316      1.00000
      8     -20.3882      1.00000
      9     -20.2259      1.00000
     10     -20.2043      1.00000
     11     -19.8855      1.00000
     12     -19.8176      1.00000
     13     -18.8105      1.00000
     14     -18.7388      1.00000
     15     -18.2915      1.00000
     16     -18.2366      1.00000
     17     -18.0867      1.00000
     18     -18.0597      1.00000
     19     -17.7635      1.00000
     20     -17.7180      1.00000
     21     -17.1958      1.00000
     22     -17.1515      1.00000
     23     -17.1080      1.00000
     24     -17.0572      1.00000
     25     -16.0273      1.00000
     26     -15.8304      1.00000
     27     -15.7910      1.00000
     28     -15.7554      1.00000
     29     -15.1810      1.00000
     30     -14.4892      1.00000
     31     -14.4526      1.00000
     32     -14.2258      1.00000
     33     -13.8985      1.00000
     34     -13.8790      1.00000
     35     -13.7615      1.00000
     36     -13.7163      1.00000
     37     -13.5534      1.00000
     38     -13.5040      1.00000
     39     -13.2958      1.00000
     40     -12.5562      1.00000
     41     -12.1265      1.00000
     42     -12.0666      1.00000
     43     -12.0131      1.00000
     44     -11.9481      1.00000
     45     -11.6099      1.00000
     46     -11.5846      1.00000
     47     -11.0829      1.00000
     48     -11.0456      1.00000
     49     -10.7519      1.00000
     50     -10.6591      1.00000
     51     -10.5283      1.00000
     52     -10.1500      1.00000
     53     -10.1371      1.00000
     54     -10.0946      1.00000
     55      -9.9499      1.00000
     56      -9.9458      1.00000
     57      -9.9125      1.00000
     58      -9.7354      1.00000
     59      -9.7343      1.00000
     60      -9.7041      1.00000
     61      -9.6716      1.00000
     62      -9.4286      1.00000
     63      -9.3590      1.00000
     64      -9.0873      1.00000
     65      -9.0045      1.00000
     66      -8.9685      1.00000
     67      -8.8941      1.00000
     68      -8.8102      1.00000
     69      -8.6609      1.00000
     70      -8.6333      1.00000
     71      -8.5820      1.00000
     72      -8.4779      1.00000
     73      -8.4632      1.00000
     74      -8.4116      1.00000
     75      -8.3855      1.00000
     76      -8.1810      1.00000
     77      -8.1153      1.00000
     78      -7.9778      1.00000
     79      -7.9180      1.00000
     80      -7.8344      1.00000
     81      -7.6149      1.00000
     82      -7.5269      1.00000
     83      -7.4748      1.00000
     84      -7.2519      1.00000
     85      -6.9285      1.00000
     86      -6.8474      1.00000
     87      -6.7985      1.00000
     88      -6.5711      1.00000
     89      -6.4723      1.00000
     90      -6.4210      1.00000
     91      -6.3516      1.00000
     92      -6.0541      1.00000
     93      -5.8794      1.00000
     94      -5.7496      1.00000
     95      -5.7264      1.00000
     96      -5.4753      1.00000
     97      -5.3483      1.00000
     98      -5.1861      1.00000
     99      -5.1665      1.00000
    100      -5.1438      1.00000
    101      -4.7007      1.00000
    102      -4.4447      1.00000
    103      -4.2554      1.00000
    104      -3.9996      1.00000
    105      -3.8373      1.00000
    106      -3.1479      1.00000
    107      -2.4685      0.00000
    108      -1.3733      0.00000
    109      -1.2516      0.00000
    110      -1.1406      0.00000
    111      -1.1186      0.00000
    112      -0.5622      0.00000
    113      -0.4321      0.00000
    114      -0.4163      0.00000
    115      -0.3183      0.00000
    116      -0.1808      0.00000
    117       0.0699      0.00000
    118       0.1233      0.00000
    119       0.5365      0.00000
    120       0.6822      0.00000
    121       0.8715      0.00000
    122       0.9670      0.00000
    123       1.1071      0.00000
    124       1.4986      0.00000
    125       1.6602      0.00000
    126       1.7870      0.00000
    127       1.8762      0.00000
    128       2.0747      0.00000
    129       2.0928      0.00000
    130       2.1591      0.00000
    131       2.2109      0.00000
    132       2.3294      0.00000
    133       2.3389      0.00000
    134       2.4712      0.00000
    135       2.5614      0.00000
    136       2.6707      0.00000
    137       2.8778      0.00000
    138       2.9431      0.00000
    139       2.9655      0.00000
    140       2.9804      0.00000
    141       3.0366      0.00000
    142       3.1359      0.00000
    143       3.1485      0.00000
    144       3.2392      0.00000
    145       3.2886      0.00000
    146       3.3286      0.00000
    147       3.3494      0.00000
    148       3.3754      0.00000
    149       3.3800      0.00000
    150       3.4954      0.00000
    151       3.5444      0.00000
    152       3.6006      0.00000
    153       3.6452      0.00000
    154       3.6820      0.00000
    155       3.7038      0.00000
    156       3.9181      0.00000
    157       3.9311      0.00000
    158       4.0608      0.00000
    159       4.0881      0.00000
    160       4.2276      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2455      1.00000
      2     -21.8928      1.00000
      3     -21.8193      1.00000
      4     -21.3147      1.00000
      5     -21.2757      1.00000
      6     -20.7686      1.00000
      7     -20.6994      1.00000
      8     -20.5510      1.00000
      9     -20.0224      1.00000
     10     -19.9892      1.00000
     11     -19.6482      1.00000
     12     -19.6156      1.00000
     13     -18.9431      1.00000
     14     -18.9058      1.00000
     15     -18.5852      1.00000
     16     -18.5473      1.00000
     17     -18.3867      1.00000
     18     -17.6013      1.00000
     19     -17.5595      1.00000
     20     -17.5357      1.00000
     21     -17.5016      1.00000
     22     -17.0770      1.00000
     23     -17.0240      1.00000
     24     -16.9082      1.00000
     25     -15.9549      1.00000
     26     -15.8400      1.00000
     27     -15.5346      1.00000
     28     -15.5048      1.00000
     29     -15.1943      1.00000
     30     -14.8164      1.00000
     31     -14.7634      1.00000
     32     -14.5104      1.00000
     33     -14.4551      1.00000
     34     -14.0966      1.00000
     35     -14.0864      1.00000
     36     -13.1116      1.00000
     37     -13.0290      1.00000
     38     -12.9575      1.00000
     39     -12.9372      1.00000
     40     -12.6529      1.00000
     41     -12.6238      1.00000
     42     -12.2760      1.00000
     43     -12.2454      1.00000
     44     -11.5760      1.00000
     45     -11.5432      1.00000
     46     -11.4902      1.00000
     47     -10.8727      1.00000
     48     -10.8692      1.00000
     49     -10.6852      1.00000
     50     -10.5250      1.00000
     51     -10.5203      1.00000
     52     -10.4330      1.00000
     53     -10.4188      1.00000
     54     -10.3765      1.00000
     55     -10.2832      1.00000
     56     -10.0602      1.00000
     57      -9.8300      1.00000
     58      -9.5559      1.00000
     59      -9.4804      1.00000
     60      -9.4449      1.00000
     61      -9.3589      1.00000
     62      -9.3339      1.00000
     63      -9.3082      1.00000
     64      -9.2981      1.00000
     65      -9.2054      1.00000
     66      -9.0976      1.00000
     67      -9.0590      1.00000
     68      -9.0367      1.00000
     69      -8.8530      1.00000
     70      -8.7970      1.00000
     71      -8.7768      1.00000
     72      -8.5223      1.00000
     73      -8.4967      1.00000
     74      -8.2277      1.00000
     75      -8.1258      1.00000
     76      -8.0879      1.00000
     77      -7.8132      1.00000
     78      -7.7614      1.00000
     79      -7.7420      1.00000
     80      -7.7037      1.00000
     81      -7.6426      1.00000
     82      -7.6126      1.00000
     83      -7.3876      1.00000
     84      -7.3362      1.00000
     85      -7.2172      1.00000
     86      -6.8512      1.00000
     87      -6.8101      1.00000
     88      -6.6364      1.00000
     89      -6.5326      1.00000
     90      -6.3504      1.00000
     91      -6.2763      1.00000
     92      -6.1990      1.00000
     93      -6.1192      1.00000
     94      -6.0155      1.00000
     95      -5.6283      1.00000
     96      -5.5133      1.00000
     97      -5.2878      1.00000
     98      -5.1477      1.00000
     99      -5.0475      1.00000
    100      -4.7206      1.00000
    101      -4.6917      1.00000
    102      -4.3760      1.00000
    103      -4.1842      1.00000
    104      -4.0126      1.00000
    105      -3.8366      1.00000
    106      -3.4938      1.00000
    107      -2.1507      0.00000
    108      -1.3762      0.00000
    109      -1.2455      0.00000
    110      -1.1674      0.00000
    111      -1.0076      0.00000
    112      -0.9672      0.00000
    113      -0.8037      0.00000
    114      -0.7555      0.00000
    115      -0.3626      0.00000
    116       0.2444      0.00000
    117       0.2846      0.00000
    118       0.3651      0.00000
    119       0.6996      0.00000
    120       0.8667      0.00000
    121       0.9754      0.00000
    122       1.1266      0.00000
    123       1.2304      0.00000
    124       1.4582      0.00000
    125       1.5495      0.00000
    126       1.7799      0.00000
    127       1.8442      0.00000
    128       1.8738      0.00000
    129       1.9748      0.00000
    130       2.0102      0.00000
    131       2.1770      0.00000
    132       2.2157      0.00000
    133       2.3882      0.00000
    134       2.3992      0.00000
    135       2.5180      0.00000
    136       2.6618      0.00000
    137       2.6872      0.00000
    138       2.7226      0.00000
    139       2.7645      0.00000
    140       2.8524      0.00000
    141       2.9633      0.00000
    142       3.0718      0.00000
    143       3.1503      0.00000
    144       3.1955      0.00000
    145       3.2421      0.00000
    146       3.2742      0.00000
    147       3.3211      0.00000
    148       3.4693      0.00000
    149       3.5015      0.00000
    150       3.6794      0.00000
    151       3.7171      0.00000
    152       3.7682      0.00000
    153       3.8518      0.00000
    154       3.8597      0.00000
    155       3.8886      0.00000
    156       3.9588      0.00000
    157       3.9957      0.00000
    158       4.0324      0.00000
    159       4.0452      0.00000
    160       4.1407      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3175      1.00000
      2     -21.7586      1.00000
      3     -21.5661      1.00000
      4     -21.5395      1.00000
      5     -21.2029      1.00000
      6     -21.1645      1.00000
      7     -20.9817      1.00000
      8     -20.0951      1.00000
      9     -20.0565      1.00000
     10     -19.5488      1.00000
     11     -19.5279      1.00000
     12     -19.3379      1.00000
     13     -19.0260      1.00000
     14     -18.9884      1.00000
     15     -18.9759      1.00000
     16     -18.9675      1.00000
     17     -18.2971      1.00000
     18     -18.2830      1.00000
     19     -17.9345      1.00000
     20     -16.9904      1.00000
     21     -16.9473      1.00000
     22     -16.8831      1.00000
     23     -16.8718      1.00000
     24     -16.4273      1.00000
     25     -16.4049      1.00000
     26     -15.5353      1.00000
     27     -15.5320      1.00000
     28     -15.1550      1.00000
     29     -15.1547      1.00000
     30     -15.1326      1.00000
     31     -15.0430      1.00000
     32     -15.0083      1.00000
     33     -14.6315      1.00000
     34     -14.6247      1.00000
     35     -13.6584      1.00000
     36     -13.6486      1.00000
     37     -13.1690      1.00000
     38     -12.5789      1.00000
     39     -12.5188      1.00000
     40     -12.3854      1.00000
     41     -12.3853      1.00000
     42     -12.0184      1.00000
     43     -12.0145      1.00000
     44     -11.6545      1.00000
     45     -11.6137      1.00000
     46     -11.2150      1.00000
     47     -11.1647      1.00000
     48     -10.9510      1.00000
     49     -10.9369      1.00000
     50     -10.8525      1.00000
     51     -10.8197      1.00000
     52     -10.6269      1.00000
     53     -10.1529      1.00000
     54     -10.0950      1.00000
     55     -10.0289      1.00000
     56      -9.9468      1.00000
     57      -9.6241      1.00000
     58      -9.6172      1.00000
     59      -9.5959      1.00000
     60      -9.5412      1.00000
     61      -9.5036      1.00000
     62      -9.4780      1.00000
     63      -9.2708      1.00000
     64      -9.2294      1.00000
     65      -9.2033      1.00000
     66      -9.1830      1.00000
     67      -9.0612      1.00000
     68      -9.0439      1.00000
     69      -9.0407      1.00000
     70      -8.8727      1.00000
     71      -8.8102      1.00000
     72      -8.5361      1.00000
     73      -8.5216      1.00000
     74      -8.4976      1.00000
     75      -8.0365      1.00000
     76      -7.8284      1.00000
     77      -7.7986      1.00000
     78      -7.7697      1.00000
     79      -7.6981      1.00000
     80      -7.6791      1.00000
     81      -7.4114      1.00000
     82      -7.2954      1.00000
     83      -7.2591      1.00000
     84      -7.2094      1.00000
     85      -7.0770      1.00000
     86      -7.0718      1.00000
     87      -6.9265      1.00000
     88      -6.7087      1.00000
     89      -6.6765      1.00000
     90      -6.6328      1.00000
     91      -6.5505      1.00000
     92      -6.0842      1.00000
     93      -6.0390      1.00000
     94      -5.9966      1.00000
     95      -5.9254      1.00000
     96      -5.7862      1.00000
     97      -5.1807      1.00000
     98      -4.8951      1.00000
     99      -4.7982      1.00000
    100      -4.5948      1.00000
    101      -4.5165      1.00000
    102      -4.1494      1.00000
    103      -4.0875      1.00000
    104      -3.9407      1.00000
    105      -3.9247      1.00000
    106      -3.8357      1.00000
    107      -1.7355      0.00000
    108      -1.6794      0.00000
    109      -1.4025      0.00000
    110      -1.3823      0.00000
    111      -1.2592      0.00000
    112      -1.2511      0.00000
    113      -0.6221      0.00000
    114      -0.6103      0.00000
    115      -0.1847      0.00000
    116       0.0483      0.00000
    117       0.5831      0.00000
    118       0.7460      0.00000
    119       0.8576      0.00000
    120       0.9259      0.00000
    121       1.1633      0.00000
    122       1.2095      0.00000
    123       1.2428      0.00000
    124       1.4093      0.00000
    125       1.5978      0.00000
    126       1.6399      0.00000
    127       1.7020      0.00000
    128       1.7733      0.00000
    129       1.9300      0.00000
    130       1.9523      0.00000
    131       2.1383      0.00000
    132       2.1671      0.00000
    133       2.2555      0.00000
    134       2.2871      0.00000
    135       2.5494      0.00000
    136       2.5572      0.00000
    137       2.5892      0.00000
    138       2.7513      0.00000
    139       2.7746      0.00000
    140       2.7935      0.00000
    141       2.8901      0.00000
    142       2.9154      0.00000
    143       3.0129      0.00000
    144       3.0205      0.00000
    145       3.0734      0.00000
    146       3.2725      0.00000
    147       3.3185      0.00000
    148       3.3869      0.00000
    149       3.4746      0.00000
    150       3.5660      0.00000
    151       3.6385      0.00000
    152       3.6544      0.00000
    153       3.6731      0.00000
    154       3.8815      0.00000
    155       3.9529      0.00000
    156       3.9945      0.00000
    157       4.0710      0.00000
    158       4.2254      0.00000
    159       4.2483      0.00000
    160       4.2573      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1386      1.00000
      2     -22.0456      1.00000
      3     -21.8845      1.00000
      4     -21.3348      1.00000
      5     -20.9739      1.00000
      6     -20.9443      1.00000
      7     -20.4260      1.00000
      8     -20.3939      1.00000
      9     -20.2112      1.00000
     10     -20.2088      1.00000
     11     -19.8889      1.00000
     12     -19.8248      1.00000
     13     -18.8210      1.00000
     14     -18.7497      1.00000
     15     -18.2573      1.00000
     16     -18.2447      1.00000
     17     -18.0790      1.00000
     18     -18.0721      1.00000
     19     -17.7382      1.00000
     20     -17.7240      1.00000
     21     -17.2011      1.00000
     22     -17.1766      1.00000
     23     -17.0758      1.00000
     24     -17.0641      1.00000
     25     -16.0684      1.00000
     26     -15.8018      1.00000
     27     -15.7935      1.00000
     28     -15.7924      1.00000
     29     -15.1352      1.00000
     30     -14.4868      1.00000
     31     -14.4653      1.00000
     32     -14.1807      1.00000
     33     -13.9184      1.00000
     34     -13.8883      1.00000
     35     -13.7656      1.00000
     36     -13.7455      1.00000
     37     -13.5265      1.00000
     38     -13.5019      1.00000
     39     -13.3027      1.00000
     40     -12.5861      1.00000
     41     -12.0929      1.00000
     42     -12.0702      1.00000
     43     -11.9916      1.00000
     44     -11.9439      1.00000
     45     -11.6046      1.00000
     46     -11.5967      1.00000
     47     -11.0886      1.00000
     48     -11.0640      1.00000
     49     -10.7322      1.00000
     50     -10.6638      1.00000
     51     -10.5614      1.00000
     52     -10.1328      1.00000
     53     -10.1282      1.00000
     54     -10.0982      1.00000
     55      -9.9660      1.00000
     56      -9.9263      1.00000
     57      -9.9212      1.00000
     58      -9.7513      1.00000
     59      -9.7236      1.00000
     60      -9.7019      1.00000
     61      -9.6991      1.00000
     62      -9.4037      1.00000
     63      -9.3932      1.00000
     64      -9.0712      1.00000
     65      -8.9839      1.00000
     66      -8.9834      1.00000
     67      -8.8883      1.00000
     68      -8.8051      1.00000
     69      -8.6436      1.00000
     70      -8.6252      1.00000
     71      -8.5487      1.00000
     72      -8.5001      1.00000
     73      -8.4803      1.00000
     74      -8.3826      1.00000
     75      -8.3713      1.00000
     76      -8.2081      1.00000
     77      -8.1022      1.00000
     78      -8.0000      1.00000
     79      -7.9025      1.00000
     80      -7.8559      1.00000
     81      -7.6251      1.00000
     82      -7.5358      1.00000
     83      -7.4364      1.00000
     84      -7.2500      1.00000
     85      -6.9553      1.00000
     86      -6.8788      1.00000
     87      -6.8270      1.00000
     88      -6.4839      1.00000
     89      -6.4550      1.00000
     90      -6.3941      1.00000
     91      -6.3656      1.00000
     92      -6.1861      1.00000
     93      -5.8532      1.00000
     94      -5.7329      1.00000
     95      -5.7103      1.00000
     96      -5.5149      1.00000
     97      -5.3311      1.00000
     98      -5.1643      1.00000
     99      -5.1556      1.00000
    100      -5.1365      1.00000
    101      -4.7054      1.00000
    102      -4.3566      1.00000
    103      -4.2816      1.00000
    104      -4.0346      1.00000
    105      -3.8383      1.00000
    106      -3.2502      1.00000
    107      -2.3837      0.00000
    108      -1.3400      0.00000
    109      -1.2603      0.00000
    110      -1.1371      0.00000
    111      -1.0952      0.00000
    112      -0.5819      0.00000
    113      -0.5280      0.00000
    114      -0.4414      0.00000
    115      -0.2724      0.00000
    116      -0.0706      0.00000
    117      -0.0145      0.00000
    118       0.0513      0.00000
    119       0.5934      0.00000
    120       0.7219      0.00000
    121       0.8126      0.00000
    122       0.9405      0.00000
    123       1.1789      0.00000
    124       1.5182      0.00000
    125       1.6128      0.00000
    126       1.8471      0.00000
    127       1.9978      0.00000
    128       2.0355      0.00000
    129       2.0943      0.00000
    130       2.1133      0.00000
    131       2.2245      0.00000
    132       2.2927      0.00000
    133       2.3413      0.00000
    134       2.4277      0.00000
    135       2.6096      0.00000
    136       2.6997      0.00000
    137       2.8175      0.00000
    138       2.9152      0.00000
    139       2.9422      0.00000
    140       3.0101      0.00000
    141       3.0378      0.00000
    142       3.1195      0.00000
    143       3.1557      0.00000
    144       3.2087      0.00000
    145       3.2953      0.00000
    146       3.3059      0.00000
    147       3.3512      0.00000
    148       3.3680      0.00000
    149       3.4128      0.00000
    150       3.4275      0.00000
    151       3.5204      0.00000
    152       3.5916      0.00000
    153       3.6500      0.00000
    154       3.6852      0.00000
    155       3.8533      0.00000
    156       3.8900      0.00000
    157       3.9506      0.00000
    158       4.0083      0.00000
    159       4.1643      0.00000
    160       4.1726      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2113      1.00000
      2     -22.0058      1.00000
      3     -21.6450      1.00000
      4     -21.6142      1.00000
      5     -20.9076      1.00000
      6     -20.8672      1.00000
      7     -20.5362      1.00000
      8     -20.5021      1.00000
      9     -20.4974      1.00000
     10     -19.9568      1.00000
     11     -19.4437      1.00000
     12     -19.4206      1.00000
     13     -19.2421      1.00000
     14     -19.2344      1.00000
     15     -18.3696      1.00000
     16     -18.3346      1.00000
     17     -17.8602      1.00000
     18     -17.8434      1.00000
     19     -17.6828      1.00000
     20     -17.6468      1.00000
     21     -17.3740      1.00000
     22     -17.3592      1.00000
     23     -17.2475      1.00000
     24     -16.4250      1.00000
     25     -16.4015      1.00000
     26     -15.9142      1.00000
     27     -15.3413      1.00000
     28     -15.3366      1.00000
     29     -15.0296      1.00000
     30     -15.0201      1.00000
     31     -14.7536      1.00000
     32     -14.7523      1.00000
     33     -14.2418      1.00000
     34     -14.1909      1.00000
     35     -13.3921      1.00000
     36     -13.3373      1.00000
     37     -13.1045      1.00000
     38     -13.0965      1.00000
     39     -12.9228      1.00000
     40     -12.9170      1.00000
     41     -12.5350      1.00000
     42     -12.5273      1.00000
     43     -12.1317      1.00000
     44     -11.5120      1.00000
     45     -11.4671      1.00000
     46     -11.2404      1.00000
     47     -11.2084      1.00000
     48     -11.0858      1.00000
     49     -10.7129      1.00000
     50     -10.6016      1.00000
     51     -10.5122      1.00000
     52     -10.2454      1.00000
     53     -10.2416      1.00000
     54     -10.1205      1.00000
     55     -10.0575      1.00000
     56     -10.0418      1.00000
     57      -9.7856      1.00000
     58      -9.6877      1.00000
     59      -9.6729      1.00000
     60      -9.6349      1.00000
     61      -9.6261      1.00000
     62      -9.5860      1.00000
     63      -9.2958      1.00000
     64      -9.2836      1.00000
     65      -9.2571      1.00000
     66      -9.0680      1.00000
     67      -8.8840      1.00000
     68      -8.8729      1.00000
     69      -8.7169      1.00000
     70      -8.5823      1.00000
     71      -8.5261      1.00000
     72      -8.3451      1.00000
     73      -8.3010      1.00000
     74      -8.2343      1.00000
     75      -8.2280      1.00000
     76      -8.1785      1.00000
     77      -8.1653      1.00000
     78      -8.1640      1.00000
     79      -8.1094      1.00000
     80      -7.6818      1.00000
     81      -7.4188      1.00000
     82      -7.3599      1.00000
     83      -7.2716      1.00000
     84      -7.1794      1.00000
     85      -7.1168      1.00000
     86      -7.0081      1.00000
     87      -6.9097      1.00000
     88      -6.8515      1.00000
     89      -6.5268      1.00000
     90      -6.5119      1.00000
     91      -6.2088      1.00000
     92      -6.1832      1.00000
     93      -5.8844      1.00000
     94      -5.6781      1.00000
     95      -5.6012      1.00000
     96      -5.5850      1.00000
     97      -5.2401      1.00000
     98      -5.2235      1.00000
     99      -5.1581      1.00000
    100      -5.1341      1.00000
    101      -4.6049      1.00000
    102      -4.2518      1.00000
    103      -4.0519      1.00000
    104      -3.8993      1.00000
    105      -3.8516      1.00000
    106      -3.8128      1.00000
    107      -1.7874      0.00000
    108      -1.7610      0.00000
    109      -1.2227      0.00000
    110      -1.1905      0.00000
    111      -0.9678      0.00000
    112      -0.7290      0.00000
    113      -0.6573      0.00000
    114      -0.5914      0.00000
    115      -0.5596      0.00000
    116      -0.1479      0.00000
    117       0.1691      0.00000
    118       0.2818      0.00000
    119       0.7053      0.00000
    120       0.9463      0.00000
    121       1.1762      0.00000
    122       1.2871      0.00000
    123       1.3384      0.00000
    124       1.5209      0.00000
    125       1.6078      0.00000
    126       1.6352      0.00000
    127       1.6998      0.00000
    128       1.7623      0.00000
    129       1.8537      0.00000
    130       2.0426      0.00000
    131       2.1333      0.00000
    132       2.2909      0.00000
    133       2.3857      0.00000
    134       2.4126      0.00000
    135       2.5625      0.00000
    136       2.6222      0.00000
    137       2.6808      0.00000
    138       2.6928      0.00000
    139       2.7649      0.00000
    140       2.9027      0.00000
    141       3.0514      0.00000
    142       3.0606      0.00000
    143       3.1753      0.00000
    144       3.2729      0.00000
    145       3.3740      0.00000
    146       3.3999      0.00000
    147       3.4561      0.00000
    148       3.5439      0.00000
    149       3.5570      0.00000
    150       3.6188      0.00000
    151       3.6536      0.00000
    152       3.6978      0.00000
    153       3.7344      0.00000
    154       3.7430      0.00000
    155       3.8196      0.00000
    156       3.8814      0.00000
    157       3.8892      0.00000
    158       3.9446      0.00000
    159       4.1785      0.00000
    160       4.2279      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     -21.5343      1.00000
      3     -21.4048      1.00000
      4     -21.4040      1.00000
      5     -21.3734      1.00000
      6     -21.3630      1.00000
      7     -21.3557      1.00000
      8     -19.6451      1.00000
      9     -19.5673      1.00000
     10     -19.5660      1.00000
     11     -19.5543      1.00000
     12     -19.5371      1.00000
     13     -19.5369      1.00000
     14     -18.7281      1.00000
     15     -18.6730      1.00000
     16     -18.6714      1.00000
     17     -18.6593      1.00000
     18     -18.6433      1.00000
     19     -18.6350      1.00000
     20     -16.5960      1.00000
     21     -16.5245      1.00000
     22     -16.5212      1.00000
     23     -16.5146      1.00000
     24     -16.4805      1.00000
     25     -16.4702      1.00000
     26     -15.5758      1.00000
     27     -15.5144      1.00000
     28     -15.5143      1.00000
     29     -15.5109      1.00000
     30     -15.4870      1.00000
     31     -15.4770      1.00000
     32     -14.2046      1.00000
     33     -14.1781      1.00000
     34     -14.1649      1.00000
     35     -14.1621      1.00000
     36     -14.1580      1.00000
     37     -14.1464      1.00000
     38     -11.8908      1.00000
     39     -11.8135      1.00000
     40     -11.7992      1.00000
     41     -11.7959      1.00000
     42     -11.7705      1.00000
     43     -11.7630      1.00000
     44     -11.7043      1.00000
     45     -11.6965      1.00000
     46     -11.6683      1.00000
     47     -11.6574      1.00000
     48     -11.6550      1.00000
     49     -11.6473      1.00000
     50     -10.6774      1.00000
     51     -10.3386      1.00000
     52     -10.3217      1.00000
     53     -10.3087      1.00000
     54     -10.2940      1.00000
     55     -10.2792      1.00000
     56     -10.2698      1.00000
     57      -9.9312      1.00000
     58      -9.3701      1.00000
     59      -9.3592      1.00000
     60      -9.2998      1.00000
     61      -9.2888      1.00000
     62      -9.2829      1.00000
     63      -9.0903      1.00000
     64      -9.0573      1.00000
     65      -9.0446      1.00000
     66      -9.0228      1.00000
     67      -9.0054      1.00000
     68      -8.9995      1.00000
     69      -8.9960      1.00000
     70      -8.9955      1.00000
     71      -8.9888      1.00000
     72      -8.9695      1.00000
     73      -8.9601      1.00000
     74      -8.9532      1.00000
     75      -8.5079      1.00000
     76      -7.5119      1.00000
     77      -7.4107      1.00000
     78      -7.4071      1.00000
     79      -7.3961      1.00000
     80      -7.3821      1.00000
     81      -7.3650      1.00000
     82      -7.3375      1.00000
     83      -7.3037      1.00000
     84      -7.2715      1.00000
     85      -7.2004      1.00000
     86      -7.1786      1.00000
     87      -7.1778      1.00000
     88      -7.0732      1.00000
     89      -6.4993      1.00000
     90      -6.4657      1.00000
     91      -6.3599      1.00000
     92      -6.2981      1.00000
     93      -6.2882      1.00000
     94      -6.2733      1.00000
     95      -5.9145      1.00000
     96      -5.8625      1.00000
     97      -5.0472      1.00000
     98      -4.9445      1.00000
     99      -4.5407      1.00000
    100      -4.3513      1.00000
    101      -4.3217      1.00000
    102      -4.3027      1.00000
    103      -4.1221      1.00000
    104      -3.9167      1.00000
    105      -3.8908      1.00000
    106      -3.8421      1.00000
    107      -1.6847      0.00000
    108      -1.6716      0.00000
    109      -1.5543      0.00000
    110      -1.5229      0.00000
    111      -1.5100      0.00000
    112      -1.4994      0.00000
    113      -0.5848      0.00000
    114       0.1291      0.00000
    115       0.2102      0.00000
    116       0.3182      0.00000
    117       0.3332      0.00000
    118       0.3390      0.00000
    119       0.5030      0.00000
    120       0.5937      0.00000
    121       1.2622      0.00000
    122       1.2644      0.00000
    123       1.5294      0.00000
    124       1.7462      0.00000
    125       1.7986      0.00000
    126       1.8067      0.00000
    127       1.8068      0.00000
    128       1.9478      0.00000
    129       1.9718      0.00000
    130       2.0361      0.00000
    131       2.0517      0.00000
    132       2.0525      0.00000
    133       2.0564      0.00000
    134       2.0578      0.00000
    135       2.3180      0.00000
    136       2.3210      0.00000
    137       2.6015      0.00000
    138       2.6228      0.00000
    139       2.6362      0.00000
    140       2.7070      0.00000
    141       2.8425      0.00000
    142       2.9858      0.00000
    143       3.0127      0.00000
    144       3.0195      0.00000
    145       3.0291      0.00000
    146       3.0371      0.00000
    147       3.0560      0.00000
    148       3.2311      0.00000
    149       3.4206      0.00000
    150       3.5538      0.00000
    151       3.7828      0.00000
    152       3.9304      0.00000
    153       3.9315      0.00000
    154       3.9433      0.00000
    155       3.9591      0.00000
    156       4.0000      0.00000
    157       4.1455      0.00000
    158       4.2499      0.00000
    159       4.2799      0.00000
    160       4.2806      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3176      1.00000
      2     -21.7594      1.00000
      3     -21.5678      1.00000
      4     -21.5352      1.00000
      5     -21.2053      1.00000
      6     -21.1605      1.00000
      7     -20.9858      1.00000
      8     -20.1004      1.00000
      9     -20.0558      1.00000
     10     -19.5423      1.00000
     11     -19.5170      1.00000
     12     -19.3493      1.00000
     13     -19.0245      1.00000
     14     -18.9850      1.00000
     15     -18.9797      1.00000
     16     -18.9663      1.00000
     17     -18.2967      1.00000
     18     -18.2714      1.00000
     19     -17.9547      1.00000
     20     -17.0146      1.00000
     21     -16.9618      1.00000
     22     -16.8877      1.00000
     23     -16.8502      1.00000
     24     -16.4049      1.00000
     25     -16.3727      1.00000
     26     -15.5630      1.00000
     27     -15.5229      1.00000
     28     -15.2079      1.00000
     29     -15.1687      1.00000
     30     -15.1105      1.00000
     31     -15.0239      1.00000
     32     -14.9923      1.00000
     33     -14.6346      1.00000
     34     -14.6209      1.00000
     35     -13.6662      1.00000
     36     -13.6508      1.00000
     37     -13.1674      1.00000
     38     -12.5558      1.00000
     39     -12.5005      1.00000
     40     -12.3876      1.00000
     41     -12.3743      1.00000
     42     -12.0629      1.00000
     43     -12.0392      1.00000
     44     -11.6566      1.00000
     45     -11.6134      1.00000
     46     -11.1864      1.00000
     47     -11.1366      1.00000
     48     -10.9646      1.00000
     49     -10.9404      1.00000
     50     -10.8833      1.00000
     51     -10.8273      1.00000
     52     -10.6046      1.00000
     53     -10.0855      1.00000
     54     -10.0828      1.00000
     55     -10.0426      1.00000
     56      -9.9693      1.00000
     57      -9.6634      1.00000
     58      -9.6201      1.00000
     59      -9.5960      1.00000
     60      -9.5246      1.00000
     61      -9.5116      1.00000
     62      -9.4737      1.00000
     63      -9.2642      1.00000
     64      -9.2421      1.00000
     65      -9.2187      1.00000
     66      -9.1610      1.00000
     67      -9.0668      1.00000
     68      -9.0480      1.00000
     69      -9.0350      1.00000
     70      -8.8826      1.00000
     71      -8.8021      1.00000
     72      -8.5824      1.00000
     73      -8.5237      1.00000
     74      -8.4665      1.00000
     75      -8.0297      1.00000
     76      -7.8134      1.00000
     77      -7.8053      1.00000
     78      -7.7908      1.00000
     79      -7.7018      1.00000
     80      -7.6875      1.00000
     81      -7.3586      1.00000
     82      -7.2673      1.00000
     83      -7.2596      1.00000
     84      -7.2087      1.00000
     85      -7.1679      1.00000
     86      -7.0108      1.00000
     87      -6.9489      1.00000
     88      -6.7420      1.00000
     89      -6.6699      1.00000
     90      -6.5938      1.00000
     91      -6.5596      1.00000
     92      -6.0488      1.00000
     93      -6.0349      1.00000
     94      -6.0226      1.00000
     95      -5.9602      1.00000
     96      -5.7429      1.00000
     97      -5.1536      1.00000
     98      -4.9952      1.00000
     99      -4.7276      1.00000
    100      -4.6107      1.00000
    101      -4.4345      1.00000
    102      -4.3767      1.00000
    103      -4.1247      1.00000
    104      -3.8718      1.00000
    105      -3.8413      1.00000
    106      -3.7788      1.00000
    107      -1.7994      0.00000
    108      -1.7354      0.00000
    109      -1.3860      0.00000
    110      -1.3611      0.00000
    111      -1.2522      0.00000
    112      -1.2158      0.00000
    113      -0.7399      0.00000
    114      -0.3727      0.00000
    115      -0.2292      0.00000
    116      -0.0109      0.00000
    117       0.5881      0.00000
    118       0.7338      0.00000
    119       0.7645      0.00000
    120       1.0518      0.00000
    121       1.1472      0.00000
    122       1.2568      0.00000
    123       1.2686      0.00000
    124       1.4121      0.00000
    125       1.4767      0.00000
    126       1.5880      0.00000
    127       1.7288      0.00000
    128       1.8304      0.00000
    129       1.8870      0.00000
    130       1.9579      0.00000
    131       2.0919      0.00000
    132       2.2409      0.00000
    133       2.2445      0.00000
    134       2.2857      0.00000
    135       2.4818      0.00000
    136       2.5802      0.00000
    137       2.6165      0.00000
    138       2.7556      0.00000
    139       2.7686      0.00000
    140       2.8099      0.00000
    141       2.8648      0.00000
    142       2.8896      0.00000
    143       2.9296      0.00000
    144       3.0784      0.00000
    145       3.2601      0.00000
    146       3.2810      0.00000
    147       3.3379      0.00000
    148       3.3619      0.00000
    149       3.4637      0.00000
    150       3.5504      0.00000
    151       3.6078      0.00000
    152       3.6691      0.00000
    153       3.6984      0.00000
    154       3.8880      0.00000
    155       3.9248      0.00000
    156       3.9800      0.00000
    157       4.0647      0.00000
    158       4.1778      0.00000
    159       4.2413      0.00000
    160       4.3034      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2120      1.00000
      2     -22.0059      1.00000
      3     -21.6463      1.00000
      4     -21.6096      1.00000
      5     -20.9109      1.00000
      6     -20.8644      1.00000
      7     -20.5440      1.00000
      8     -20.5057      1.00000
      9     -20.4935      1.00000
     10     -19.9631      1.00000
     11     -19.4388      1.00000
     12     -19.4106      1.00000
     13     -19.2380      1.00000
     14     -19.2223      1.00000
     15     -18.3850      1.00000
     16     -18.3395      1.00000
     17     -17.8614      1.00000
     18     -17.8308      1.00000
     19     -17.6997      1.00000
     20     -17.6559      1.00000
     21     -17.3765      1.00000
     22     -17.3443      1.00000
     23     -17.2809      1.00000
     24     -16.3942      1.00000
     25     -16.3766      1.00000
     26     -15.8882      1.00000
     27     -15.3567      1.00000
     28     -15.3281      1.00000
     29     -15.0355      1.00000
     30     -15.0148      1.00000
     31     -14.8076      1.00000
     32     -14.7817      1.00000
     33     -14.2214      1.00000
     34     -14.1797      1.00000
     35     -13.3731      1.00000
     36     -13.3245      1.00000
     37     -13.1203      1.00000
     38     -13.1024      1.00000
     39     -12.9104      1.00000
     40     -12.8968      1.00000
     41     -12.5592      1.00000
     42     -12.5405      1.00000
     43     -12.1311      1.00000
     44     -11.5213      1.00000
     45     -11.4699      1.00000
     46     -11.2582      1.00000
     47     -11.2126      1.00000
     48     -11.0777      1.00000
     49     -10.6618      1.00000
     50     -10.5772      1.00000
     51     -10.5226      1.00000
     52     -10.2598      1.00000
     53     -10.2462      1.00000
     54     -10.1223      1.00000
     55     -10.0465      1.00000
     56     -10.0328      1.00000
     57      -9.7684      1.00000
     58      -9.7058      1.00000
     59      -9.6739      1.00000
     60      -9.6271      1.00000
     61      -9.6245      1.00000
     62      -9.5850      1.00000
     63      -9.2923      1.00000
     64      -9.2815      1.00000
     65      -9.2479      1.00000
     66      -9.0916      1.00000
     67      -8.8948      1.00000
     68      -8.8894      1.00000
     69      -8.7228      1.00000
     70      -8.5903      1.00000
     71      -8.5108      1.00000
     72      -8.3316      1.00000
     73      -8.3012      1.00000
     74      -8.2673      1.00000
     75      -8.2352      1.00000
     76      -8.1986      1.00000
     77      -8.1907      1.00000
     78      -8.1689      1.00000
     79      -8.1059      1.00000
     80      -7.6906      1.00000
     81      -7.3497      1.00000
     82      -7.3006      1.00000
     83      -7.2540      1.00000
     84      -7.1803      1.00000
     85      -7.1169      1.00000
     86      -7.0744      1.00000
     87      -6.8995      1.00000
     88      -6.8793      1.00000
     89      -6.5525      1.00000
     90      -6.4844      1.00000
     91      -6.2137      1.00000
     92      -6.0707      1.00000
     93      -5.9463      1.00000
     94      -5.7087      1.00000
     95      -5.6370      1.00000
     96      -5.4561      1.00000
     97      -5.3000      1.00000
     98      -5.2445      1.00000
     99      -5.1629      1.00000
    100      -5.1409      1.00000
    101      -4.5215      1.00000
    102      -4.4739      1.00000
    103      -4.1448      1.00000
    104      -3.8443      1.00000
    105      -3.7540      1.00000
    106      -3.6718      1.00000
    107      -1.8792      0.00000
    108      -1.8286      0.00000
    109      -1.2704      0.00000
    110      -1.0507      0.00000
    111      -0.9993      0.00000
    112      -0.7050      0.00000
    113      -0.6492      0.00000
    114      -0.5829      0.00000
    115      -0.5352      0.00000
    116      -0.1973      0.00000
    117       0.2527      0.00000
    118       0.2912      0.00000
    119       0.7592      0.00000
    120       0.9446      0.00000
    121       1.1300      0.00000
    122       1.2254      0.00000
    123       1.3200      0.00000
    124       1.4095      0.00000
    125       1.5976      0.00000
    126       1.6309      0.00000
    127       1.6919      0.00000
    128       1.8109      0.00000
    129       1.9224      0.00000
    130       2.0060      0.00000
    131       2.0570      0.00000
    132       2.2835      0.00000
    133       2.3974      0.00000
    134       2.4282      0.00000
    135       2.5374      0.00000
    136       2.6304      0.00000
    137       2.7031      0.00000
    138       2.7689      0.00000
    139       2.8326      0.00000
    140       2.8779      0.00000
    141       3.0371      0.00000
    142       3.0826      0.00000
    143       3.1841      0.00000
    144       3.2271      0.00000
    145       3.3649      0.00000
    146       3.4173      0.00000
    147       3.4817      0.00000
    148       3.5728      0.00000
    149       3.5945      0.00000
    150       3.6314      0.00000
    151       3.6834      0.00000
    152       3.7261      0.00000
    153       3.7521      0.00000
    154       3.7758      0.00000
    155       3.8717      0.00000
    156       3.9652      0.00000
    157       3.9769      0.00000
    158       4.1231      0.00000
    159       4.1810      0.00000
    160       4.2530      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2459      1.00000
      2     -21.8915      1.00000
      3     -21.8207      1.00000
      4     -21.3084      1.00000
      5     -21.2779      1.00000
      6     -20.7701      1.00000
      7     -20.7038      1.00000
      8     -20.5565      1.00000
      9     -20.0040      1.00000
     10     -19.9962      1.00000
     11     -19.6470      1.00000
     12     -19.6225      1.00000
     13     -18.9264      1.00000
     14     -18.9174      1.00000
     15     -18.5613      1.00000
     16     -18.5489      1.00000
     17     -18.3980      1.00000
     18     -17.6213      1.00000
     19     -17.5637      1.00000
     20     -17.5588      1.00000
     21     -17.5179      1.00000
     22     -17.0500      1.00000
     23     -17.0345      1.00000
     24     -16.8671      1.00000
     25     -15.9052      1.00000
     26     -15.8826      1.00000
     27     -15.5092      1.00000
     28     -15.5086      1.00000
     29     -15.2504      1.00000
     30     -14.7823      1.00000
     31     -14.7561      1.00000
     32     -14.5195      1.00000
     33     -14.4758      1.00000
     34     -14.1011      1.00000
     35     -14.0901      1.00000
     36     -13.0534      1.00000
     37     -13.0307      1.00000
     38     -12.9697      1.00000
     39     -12.9597      1.00000
     40     -12.6454      1.00000
     41     -12.6383      1.00000
     42     -12.2665      1.00000
     43     -12.2351      1.00000
     44     -11.5915      1.00000
     45     -11.5617      1.00000
     46     -11.5174      1.00000
     47     -10.9042      1.00000
     48     -10.8501      1.00000
     49     -10.6224      1.00000
     50     -10.5520      1.00000
     51     -10.4792      1.00000
     52     -10.4232      1.00000
     53     -10.4145      1.00000
     54     -10.3488      1.00000
     55     -10.2960      1.00000
     56     -10.0650      1.00000
     57      -9.8313      1.00000
     58      -9.5501      1.00000
     59      -9.4898      1.00000
     60      -9.4720      1.00000
     61      -9.3412      1.00000
     62      -9.3262      1.00000
     63      -9.3059      1.00000
     64      -9.3044      1.00000
     65      -9.2104      1.00000
     66      -9.1175      1.00000
     67      -9.0852      1.00000
     68      -9.0645      1.00000
     69      -8.8509      1.00000
     70      -8.7865      1.00000
     71      -8.7696      1.00000
     72      -8.5284      1.00000
     73      -8.4783      1.00000
     74      -8.2274      1.00000
     75      -8.1124      1.00000
     76      -8.1016      1.00000
     77      -7.8009      1.00000
     78      -7.7746      1.00000
     79      -7.7726      1.00000
     80      -7.6692      1.00000
     81      -7.6304      1.00000
     82      -7.6301      1.00000
     83      -7.3994      1.00000
     84      -7.3258      1.00000
     85      -7.1970      1.00000
     86      -6.8330      1.00000
     87      -6.8251      1.00000
     88      -6.6585      1.00000
     89      -6.5365      1.00000
     90      -6.3253      1.00000
     91      -6.2935      1.00000
     92      -6.1807      1.00000
     93      -6.1549      1.00000
     94      -5.9857      1.00000
     95      -5.5813      1.00000
     96      -5.4355      1.00000
     97      -5.2690      1.00000
     98      -5.2435      1.00000
     99      -5.1586      1.00000
    100      -4.6830      1.00000
    101      -4.6673      1.00000
    102      -4.3500      1.00000
    103      -4.3148      1.00000
    104      -3.9681      1.00000
    105      -3.8385      1.00000
    106      -3.3687      1.00000
    107      -2.2402      0.00000
    108      -1.3858      0.00000
    109      -1.2947      0.00000
    110      -1.1736      0.00000
    111      -1.0741      0.00000
    112      -0.8825      0.00000
    113      -0.7527      0.00000
    114      -0.7432      0.00000
    115      -0.2132      0.00000
    116       0.1068      0.00000
    117       0.2561      0.00000
    118       0.3612      0.00000
    119       0.7319      0.00000
    120       0.9018      0.00000
    121       0.9701      0.00000
    122       1.0958      0.00000
    123       1.2039      0.00000
    124       1.5317      0.00000
    125       1.5522      0.00000
    126       1.7141      0.00000
    127       1.8408      0.00000
    128       1.8628      0.00000
    129       1.9280      0.00000
    130       2.0006      0.00000
    131       2.1399      0.00000
    132       2.2618      0.00000
    133       2.4047      0.00000
    134       2.4567      0.00000
    135       2.4660      0.00000
    136       2.6644      0.00000
    137       2.6819      0.00000
    138       2.7292      0.00000
    139       2.7407      0.00000
    140       2.8822      0.00000
    141       3.0131      0.00000
    142       3.0735      0.00000
    143       3.1560      0.00000
    144       3.2056      0.00000
    145       3.2472      0.00000
    146       3.2483      0.00000
    147       3.3502      0.00000
    148       3.4650      0.00000
    149       3.5325      0.00000
    150       3.6956      0.00000
    151       3.7359      0.00000
    152       3.7798      0.00000
    153       3.8075      0.00000
    154       3.8647      0.00000
    155       3.9352      0.00000
    156       3.9725      0.00000
    157       4.0059      0.00000
    158       4.0220      0.00000
    159       4.1141      0.00000
    160       4.2311      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1399      1.00000
      2     -22.0447      1.00000
      3     -21.8840      1.00000
      4     -21.3317      1.00000
      5     -20.9800      1.00000
      6     -20.9412      1.00000
      7     -20.4316      1.00000
      8     -20.3882      1.00000
      9     -20.2259      1.00000
     10     -20.2043      1.00000
     11     -19.8855      1.00000
     12     -19.8176      1.00000
     13     -18.8105      1.00000
     14     -18.7388      1.00000
     15     -18.2915      1.00000
     16     -18.2366      1.00000
     17     -18.0867      1.00000
     18     -18.0597      1.00000
     19     -17.7635      1.00000
     20     -17.7180      1.00000
     21     -17.1958      1.00000
     22     -17.1515      1.00000
     23     -17.1080      1.00000
     24     -17.0572      1.00000
     25     -16.0273      1.00000
     26     -15.8304      1.00000
     27     -15.7910      1.00000
     28     -15.7554      1.00000
     29     -15.1810      1.00000
     30     -14.4892      1.00000
     31     -14.4526      1.00000
     32     -14.2258      1.00000
     33     -13.8985      1.00000
     34     -13.8790      1.00000
     35     -13.7615      1.00000
     36     -13.7163      1.00000
     37     -13.5534      1.00000
     38     -13.5040      1.00000
     39     -13.2958      1.00000
     40     -12.5562      1.00000
     41     -12.1265      1.00000
     42     -12.0666      1.00000
     43     -12.0131      1.00000
     44     -11.9481      1.00000
     45     -11.6099      1.00000
     46     -11.5846      1.00000
     47     -11.0829      1.00000
     48     -11.0456      1.00000
     49     -10.7519      1.00000
     50     -10.6591      1.00000
     51     -10.5283      1.00000
     52     -10.1500      1.00000
     53     -10.1371      1.00000
     54     -10.0946      1.00000
     55      -9.9499      1.00000
     56      -9.9458      1.00000
     57      -9.9125      1.00000
     58      -9.7354      1.00000
     59      -9.7343      1.00000
     60      -9.7041      1.00000
     61      -9.6716      1.00000
     62      -9.4286      1.00000
     63      -9.3590      1.00000
     64      -9.0873      1.00000
     65      -9.0045      1.00000
     66      -8.9685      1.00000
     67      -8.8941      1.00000
     68      -8.8102      1.00000
     69      -8.6609      1.00000
     70      -8.6333      1.00000
     71      -8.5820      1.00000
     72      -8.4779      1.00000
     73      -8.4632      1.00000
     74      -8.4116      1.00000
     75      -8.3855      1.00000
     76      -8.1810      1.00000
     77      -8.1153      1.00000
     78      -7.9778      1.00000
     79      -7.9180      1.00000
     80      -7.8344      1.00000
     81      -7.6149      1.00000
     82      -7.5269      1.00000
     83      -7.4748      1.00000
     84      -7.2519      1.00000
     85      -6.9285      1.00000
     86      -6.8474      1.00000
     87      -6.7985      1.00000
     88      -6.5711      1.00000
     89      -6.4723      1.00000
     90      -6.4210      1.00000
     91      -6.3516      1.00000
     92      -6.0541      1.00000
     93      -5.8794      1.00000
     94      -5.7496      1.00000
     95      -5.7264      1.00000
     96      -5.4753      1.00000
     97      -5.3483      1.00000
     98      -5.1861      1.00000
     99      -5.1665      1.00000
    100      -5.1438      1.00000
    101      -4.7007      1.00000
    102      -4.4447      1.00000
    103      -4.2554      1.00000
    104      -3.9996      1.00000
    105      -3.8373      1.00000
    106      -3.1479      1.00000
    107      -2.4685      0.00000
    108      -1.3733      0.00000
    109      -1.2516      0.00000
    110      -1.1406      0.00000
    111      -1.1186      0.00000
    112      -0.5622      0.00000
    113      -0.4321      0.00000
    114      -0.4163      0.00000
    115      -0.3183      0.00000
    116      -0.1808      0.00000
    117       0.0699      0.00000
    118       0.1233      0.00000
    119       0.5365      0.00000
    120       0.6822      0.00000
    121       0.8715      0.00000
    122       0.9670      0.00000
    123       1.1071      0.00000
    124       1.4986      0.00000
    125       1.6603      0.00000
    126       1.7870      0.00000
    127       1.8762      0.00000
    128       2.0747      0.00000
    129       2.0928      0.00000
    130       2.1591      0.00000
    131       2.2109      0.00000
    132       2.3294      0.00000
    133       2.3389      0.00000
    134       2.4712      0.00000
    135       2.5614      0.00000
    136       2.6707      0.00000
    137       2.8779      0.00000
    138       2.9431      0.00000
    139       2.9655      0.00000
    140       2.9804      0.00000
    141       3.0366      0.00000
    142       3.1359      0.00000
    143       3.1485      0.00000
    144       3.2392      0.00000
    145       3.2886      0.00000
    146       3.3287      0.00000
    147       3.3494      0.00000
    148       3.3754      0.00000
    149       3.3800      0.00000
    150       3.4954      0.00000
    151       3.5444      0.00000
    152       3.6006      0.00000
    153       3.6452      0.00000
    154       3.6820      0.00000
    155       3.7038      0.00000
    156       3.9181      0.00000
    157       3.9311      0.00000
    158       4.0608      0.00000
    159       4.0881      0.00000
    160       4.2268      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2455      1.00000
      2     -21.8928      1.00000
      3     -21.8193      1.00000
      4     -21.3147      1.00000
      5     -21.2757      1.00000
      6     -20.7686      1.00000
      7     -20.6994      1.00000
      8     -20.5510      1.00000
      9     -20.0224      1.00000
     10     -19.9892      1.00000
     11     -19.6482      1.00000
     12     -19.6156      1.00000
     13     -18.9431      1.00000
     14     -18.9058      1.00000
     15     -18.5852      1.00000
     16     -18.5473      1.00000
     17     -18.3867      1.00000
     18     -17.6013      1.00000
     19     -17.5595      1.00000
     20     -17.5357      1.00000
     21     -17.5016      1.00000
     22     -17.0770      1.00000
     23     -17.0240      1.00000
     24     -16.9082      1.00000
     25     -15.9549      1.00000
     26     -15.8400      1.00000
     27     -15.5346      1.00000
     28     -15.5048      1.00000
     29     -15.1943      1.00000
     30     -14.8164      1.00000
     31     -14.7634      1.00000
     32     -14.5104      1.00000
     33     -14.4551      1.00000
     34     -14.0966      1.00000
     35     -14.0864      1.00000
     36     -13.1116      1.00000
     37     -13.0290      1.00000
     38     -12.9575      1.00000
     39     -12.9372      1.00000
     40     -12.6529      1.00000
     41     -12.6238      1.00000
     42     -12.2760      1.00000
     43     -12.2454      1.00000
     44     -11.5760      1.00000
     45     -11.5432      1.00000
     46     -11.4902      1.00000
     47     -10.8727      1.00000
     48     -10.8692      1.00000
     49     -10.6852      1.00000
     50     -10.5250      1.00000
     51     -10.5203      1.00000
     52     -10.4330      1.00000
     53     -10.4188      1.00000
     54     -10.3765      1.00000
     55     -10.2832      1.00000
     56     -10.0602      1.00000
     57      -9.8300      1.00000
     58      -9.5559      1.00000
     59      -9.4804      1.00000
     60      -9.4449      1.00000
     61      -9.3589      1.00000
     62      -9.3339      1.00000
     63      -9.3082      1.00000
     64      -9.2981      1.00000
     65      -9.2054      1.00000
     66      -9.0976      1.00000
     67      -9.0590      1.00000
     68      -9.0367      1.00000
     69      -8.8530      1.00000
     70      -8.7970      1.00000
     71      -8.7768      1.00000
     72      -8.5223      1.00000
     73      -8.4967      1.00000
     74      -8.2277      1.00000
     75      -8.1258      1.00000
     76      -8.0879      1.00000
     77      -7.8132      1.00000
     78      -7.7614      1.00000
     79      -7.7420      1.00000
     80      -7.7037      1.00000
     81      -7.6426      1.00000
     82      -7.6126      1.00000
     83      -7.3876      1.00000
     84      -7.3362      1.00000
     85      -7.2172      1.00000
     86      -6.8512      1.00000
     87      -6.8101      1.00000
     88      -6.6364      1.00000
     89      -6.5326      1.00000
     90      -6.3504      1.00000
     91      -6.2763      1.00000
     92      -6.1990      1.00000
     93      -6.1192      1.00000
     94      -6.0155      1.00000
     95      -5.6283      1.00000
     96      -5.5133      1.00000
     97      -5.2878      1.00000
     98      -5.1477      1.00000
     99      -5.0475      1.00000
    100      -4.7206      1.00000
    101      -4.6917      1.00000
    102      -4.3760      1.00000
    103      -4.1842      1.00000
    104      -4.0126      1.00000
    105      -3.8366      1.00000
    106      -3.4938      1.00000
    107      -2.1507      0.00000
    108      -1.3762      0.00000
    109      -1.2455      0.00000
    110      -1.1674      0.00000
    111      -1.0076      0.00000
    112      -0.9672      0.00000
    113      -0.8037      0.00000
    114      -0.7555      0.00000
    115      -0.3626      0.00000
    116       0.2444      0.00000
    117       0.2846      0.00000
    118       0.3651      0.00000
    119       0.6996      0.00000
    120       0.8667      0.00000
    121       0.9754      0.00000
    122       1.1266      0.00000
    123       1.2304      0.00000
    124       1.4582      0.00000
    125       1.5495      0.00000
    126       1.7799      0.00000
    127       1.8442      0.00000
    128       1.8738      0.00000
    129       1.9748      0.00000
    130       2.0102      0.00000
    131       2.1770      0.00000
    132       2.2157      0.00000
    133       2.3882      0.00000
    134       2.3993      0.00000
    135       2.5180      0.00000
    136       2.6618      0.00000
    137       2.6872      0.00000
    138       2.7226      0.00000
    139       2.7645      0.00000
    140       2.8524      0.00000
    141       2.9633      0.00000
    142       3.0718      0.00000
    143       3.1503      0.00000
    144       3.1955      0.00000
    145       3.2421      0.00000
    146       3.2742      0.00000
    147       3.3210      0.00000
    148       3.4693      0.00000
    149       3.5015      0.00000
    150       3.6794      0.00000
    151       3.7171      0.00000
    152       3.7682      0.00000
    153       3.8518      0.00000
    154       3.8597      0.00000
    155       3.8886      0.00000
    156       3.9588      0.00000
    157       3.9957      0.00000
    158       4.0324      0.00000
    159       4.0452      0.00000
    160       4.1407      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3175      1.00000
      2     -21.7586      1.00000
      3     -21.5661      1.00000
      4     -21.5395      1.00000
      5     -21.2029      1.00000
      6     -21.1645      1.00000
      7     -20.9817      1.00000
      8     -20.0951      1.00000
      9     -20.0565      1.00000
     10     -19.5488      1.00000
     11     -19.5279      1.00000
     12     -19.3379      1.00000
     13     -19.0260      1.00000
     14     -18.9884      1.00000
     15     -18.9759      1.00000
     16     -18.9675      1.00000
     17     -18.2971      1.00000
     18     -18.2830      1.00000
     19     -17.9345      1.00000
     20     -16.9904      1.00000
     21     -16.9473      1.00000
     22     -16.8831      1.00000
     23     -16.8718      1.00000
     24     -16.4273      1.00000
     25     -16.4049      1.00000
     26     -15.5353      1.00000
     27     -15.5320      1.00000
     28     -15.1550      1.00000
     29     -15.1547      1.00000
     30     -15.1326      1.00000
     31     -15.0430      1.00000
     32     -15.0083      1.00000
     33     -14.6315      1.00000
     34     -14.6247      1.00000
     35     -13.6584      1.00000
     36     -13.6486      1.00000
     37     -13.1690      1.00000
     38     -12.5789      1.00000
     39     -12.5188      1.00000
     40     -12.3854      1.00000
     41     -12.3853      1.00000
     42     -12.0184      1.00000
     43     -12.0145      1.00000
     44     -11.6545      1.00000
     45     -11.6137      1.00000
     46     -11.2150      1.00000
     47     -11.1647      1.00000
     48     -10.9510      1.00000
     49     -10.9369      1.00000
     50     -10.8525      1.00000
     51     -10.8197      1.00000
     52     -10.6269      1.00000
     53     -10.1529      1.00000
     54     -10.0950      1.00000
     55     -10.0289      1.00000
     56      -9.9468      1.00000
     57      -9.6241      1.00000
     58      -9.6172      1.00000
     59      -9.5959      1.00000
     60      -9.5412      1.00000
     61      -9.5036      1.00000
     62      -9.4780      1.00000
     63      -9.2708      1.00000
     64      -9.2294      1.00000
     65      -9.2033      1.00000
     66      -9.1830      1.00000
     67      -9.0612      1.00000
     68      -9.0439      1.00000
     69      -9.0407      1.00000
     70      -8.8727      1.00000
     71      -8.8102      1.00000
     72      -8.5361      1.00000
     73      -8.5216      1.00000
     74      -8.4976      1.00000
     75      -8.0365      1.00000
     76      -7.8284      1.00000
     77      -7.7986      1.00000
     78      -7.7697      1.00000
     79      -7.6981      1.00000
     80      -7.6791      1.00000
     81      -7.4114      1.00000
     82      -7.2954      1.00000
     83      -7.2591      1.00000
     84      -7.2094      1.00000
     85      -7.0770      1.00000
     86      -7.0718      1.00000
     87      -6.9265      1.00000
     88      -6.7087      1.00000
     89      -6.6765      1.00000
     90      -6.6328      1.00000
     91      -6.5505      1.00000
     92      -6.0842      1.00000
     93      -6.0390      1.00000
     94      -5.9966      1.00000
     95      -5.9254      1.00000
     96      -5.7862      1.00000
     97      -5.1807      1.00000
     98      -4.8951      1.00000
     99      -4.7982      1.00000
    100      -4.5948      1.00000
    101      -4.5165      1.00000
    102      -4.1494      1.00000
    103      -4.0875      1.00000
    104      -3.9407      1.00000
    105      -3.9247      1.00000
    106      -3.8357      1.00000
    107      -1.7355      0.00000
    108      -1.6794      0.00000
    109      -1.4025      0.00000
    110      -1.3823      0.00000
    111      -1.2592      0.00000
    112      -1.2511      0.00000
    113      -0.6221      0.00000
    114      -0.6103      0.00000
    115      -0.1847      0.00000
    116       0.0483      0.00000
    117       0.5831      0.00000
    118       0.7460      0.00000
    119       0.8576      0.00000
    120       0.9259      0.00000
    121       1.1633      0.00000
    122       1.2095      0.00000
    123       1.2428      0.00000
    124       1.4093      0.00000
    125       1.5978      0.00000
    126       1.6399      0.00000
    127       1.7020      0.00000
    128       1.7733      0.00000
    129       1.9300      0.00000
    130       1.9523      0.00000
    131       2.1383      0.00000
    132       2.1671      0.00000
    133       2.2555      0.00000
    134       2.2871      0.00000
    135       2.5494      0.00000
    136       2.5572      0.00000
    137       2.5892      0.00000
    138       2.7513      0.00000
    139       2.7746      0.00000
    140       2.7935      0.00000
    141       2.8901      0.00000
    142       2.9154      0.00000
    143       3.0129      0.00000
    144       3.0205      0.00000
    145       3.0734      0.00000
    146       3.2725      0.00000
    147       3.3185      0.00000
    148       3.3869      0.00000
    149       3.4746      0.00000
    150       3.5660      0.00000
    151       3.6385      0.00000
    152       3.6544      0.00000
    153       3.6731      0.00000
    154       3.8815      0.00000
    155       3.9529      0.00000
    156       3.9945      0.00000
    157       4.0710      0.00000
    158       4.2254      0.00000
    159       4.2483      0.00000
    160       4.2573      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1386      1.00000
      2     -22.0456      1.00000
      3     -21.8845      1.00000
      4     -21.3348      1.00000
      5     -20.9739      1.00000
      6     -20.9443      1.00000
      7     -20.4260      1.00000
      8     -20.3939      1.00000
      9     -20.2112      1.00000
     10     -20.2088      1.00000
     11     -19.8889      1.00000
     12     -19.8248      1.00000
     13     -18.8210      1.00000
     14     -18.7497      1.00000
     15     -18.2573      1.00000
     16     -18.2447      1.00000
     17     -18.0790      1.00000
     18     -18.0721      1.00000
     19     -17.7382      1.00000
     20     -17.7240      1.00000
     21     -17.2011      1.00000
     22     -17.1766      1.00000
     23     -17.0758      1.00000
     24     -17.0641      1.00000
     25     -16.0684      1.00000
     26     -15.8018      1.00000
     27     -15.7935      1.00000
     28     -15.7924      1.00000
     29     -15.1352      1.00000
     30     -14.4868      1.00000
     31     -14.4653      1.00000
     32     -14.1807      1.00000
     33     -13.9184      1.00000
     34     -13.8883      1.00000
     35     -13.7656      1.00000
     36     -13.7455      1.00000
     37     -13.5265      1.00000
     38     -13.5019      1.00000
     39     -13.3027      1.00000
     40     -12.5861      1.00000
     41     -12.0929      1.00000
     42     -12.0702      1.00000
     43     -11.9916      1.00000
     44     -11.9439      1.00000
     45     -11.6046      1.00000
     46     -11.5967      1.00000
     47     -11.0886      1.00000
     48     -11.0640      1.00000
     49     -10.7322      1.00000
     50     -10.6638      1.00000
     51     -10.5614      1.00000
     52     -10.1328      1.00000
     53     -10.1282      1.00000
     54     -10.0982      1.00000
     55      -9.9660      1.00000
     56      -9.9263      1.00000
     57      -9.9212      1.00000
     58      -9.7513      1.00000
     59      -9.7236      1.00000
     60      -9.7019      1.00000
     61      -9.6991      1.00000
     62      -9.4037      1.00000
     63      -9.3932      1.00000
     64      -9.0712      1.00000
     65      -8.9839      1.00000
     66      -8.9834      1.00000
     67      -8.8883      1.00000
     68      -8.8051      1.00000
     69      -8.6436      1.00000
     70      -8.6252      1.00000
     71      -8.5487      1.00000
     72      -8.5001      1.00000
     73      -8.4803      1.00000
     74      -8.3826      1.00000
     75      -8.3713      1.00000
     76      -8.2081      1.00000
     77      -8.1022      1.00000
     78      -8.0000      1.00000
     79      -7.9025      1.00000
     80      -7.8559      1.00000
     81      -7.6251      1.00000
     82      -7.5358      1.00000
     83      -7.4364      1.00000
     84      -7.2500      1.00000
     85      -6.9553      1.00000
     86      -6.8788      1.00000
     87      -6.8270      1.00000
     88      -6.4839      1.00000
     89      -6.4550      1.00000
     90      -6.3941      1.00000
     91      -6.3656      1.00000
     92      -6.1861      1.00000
     93      -5.8532      1.00000
     94      -5.7329      1.00000
     95      -5.7103      1.00000
     96      -5.5149      1.00000
     97      -5.3311      1.00000
     98      -5.1643      1.00000
     99      -5.1556      1.00000
    100      -5.1365      1.00000
    101      -4.7054      1.00000
    102      -4.3566      1.00000
    103      -4.2816      1.00000
    104      -4.0346      1.00000
    105      -3.8383      1.00000
    106      -3.2502      1.00000
    107      -2.3837      0.00000
    108      -1.3400      0.00000
    109      -1.2603      0.00000
    110      -1.1371      0.00000
    111      -1.0952      0.00000
    112      -0.5819      0.00000
    113      -0.5280      0.00000
    114      -0.4414      0.00000
    115      -0.2724      0.00000
    116      -0.0706      0.00000
    117      -0.0145      0.00000
    118       0.0513      0.00000
    119       0.5934      0.00000
    120       0.7219      0.00000
    121       0.8126      0.00000
    122       0.9405      0.00000
    123       1.1789      0.00000
    124       1.5182      0.00000
    125       1.6128      0.00000
    126       1.8471      0.00000
    127       1.9978      0.00000
    128       2.0355      0.00000
    129       2.0943      0.00000
    130       2.1133      0.00000
    131       2.2245      0.00000
    132       2.2927      0.00000
    133       2.3413      0.00000
    134       2.4277      0.00000
    135       2.6096      0.00000
    136       2.6997      0.00000
    137       2.8175      0.00000
    138       2.9152      0.00000
    139       2.9422      0.00000
    140       3.0101      0.00000
    141       3.0378      0.00000
    142       3.1195      0.00000
    143       3.1557      0.00000
    144       3.2087      0.00000
    145       3.2953      0.00000
    146       3.3059      0.00000
    147       3.3512      0.00000
    148       3.3680      0.00000
    149       3.4128      0.00000
    150       3.4275      0.00000
    151       3.5204      0.00000
    152       3.5916      0.00000
    153       3.6500      0.00000
    154       3.6852      0.00000
    155       3.8533      0.00000
    156       3.8900      0.00000
    157       3.9506      0.00000
    158       4.0056      0.00000
    159       4.1640      0.00000
    160       4.1726      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2113      1.00000
      2     -22.0058      1.00000
      3     -21.6450      1.00000
      4     -21.6142      1.00000
      5     -20.9076      1.00000
      6     -20.8672      1.00000
      7     -20.5362      1.00000
      8     -20.5021      1.00000
      9     -20.4974      1.00000
     10     -19.9568      1.00000
     11     -19.4437      1.00000
     12     -19.4206      1.00000
     13     -19.2421      1.00000
     14     -19.2344      1.00000
     15     -18.3696      1.00000
     16     -18.3346      1.00000
     17     -17.8602      1.00000
     18     -17.8434      1.00000
     19     -17.6828      1.00000
     20     -17.6468      1.00000
     21     -17.3740      1.00000
     22     -17.3592      1.00000
     23     -17.2475      1.00000
     24     -16.4250      1.00000
     25     -16.4015      1.00000
     26     -15.9142      1.00000
     27     -15.3413      1.00000
     28     -15.3366      1.00000
     29     -15.0296      1.00000
     30     -15.0201      1.00000
     31     -14.7536      1.00000
     32     -14.7523      1.00000
     33     -14.2418      1.00000
     34     -14.1909      1.00000
     35     -13.3921      1.00000
     36     -13.3373      1.00000
     37     -13.1045      1.00000
     38     -13.0965      1.00000
     39     -12.9228      1.00000
     40     -12.9170      1.00000
     41     -12.5350      1.00000
     42     -12.5273      1.00000
     43     -12.1317      1.00000
     44     -11.5120      1.00000
     45     -11.4671      1.00000
     46     -11.2404      1.00000
     47     -11.2084      1.00000
     48     -11.0858      1.00000
     49     -10.7129      1.00000
     50     -10.6016      1.00000
     51     -10.5122      1.00000
     52     -10.2454      1.00000
     53     -10.2416      1.00000
     54     -10.1205      1.00000
     55     -10.0575      1.00000
     56     -10.0418      1.00000
     57      -9.7856      1.00000
     58      -9.6877      1.00000
     59      -9.6729      1.00000
     60      -9.6349      1.00000
     61      -9.6261      1.00000
     62      -9.5860      1.00000
     63      -9.2958      1.00000
     64      -9.2836      1.00000
     65      -9.2571      1.00000
     66      -9.0680      1.00000
     67      -8.8840      1.00000
     68      -8.8729      1.00000
     69      -8.7169      1.00000
     70      -8.5823      1.00000
     71      -8.5261      1.00000
     72      -8.3451      1.00000
     73      -8.3010      1.00000
     74      -8.2343      1.00000
     75      -8.2280      1.00000
     76      -8.1785      1.00000
     77      -8.1653      1.00000
     78      -8.1640      1.00000
     79      -8.1094      1.00000
     80      -7.6818      1.00000
     81      -7.4188      1.00000
     82      -7.3599      1.00000
     83      -7.2716      1.00000
     84      -7.1794      1.00000
     85      -7.1168      1.00000
     86      -7.0081      1.00000
     87      -6.9097      1.00000
     88      -6.8515      1.00000
     89      -6.5268      1.00000
     90      -6.5119      1.00000
     91      -6.2088      1.00000
     92      -6.1832      1.00000
     93      -5.8844      1.00000
     94      -5.6781      1.00000
     95      -5.6012      1.00000
     96      -5.5850      1.00000
     97      -5.2401      1.00000
     98      -5.2235      1.00000
     99      -5.1581      1.00000
    100      -5.1341      1.00000
    101      -4.6049      1.00000
    102      -4.2518      1.00000
    103      -4.0519      1.00000
    104      -3.8993      1.00000
    105      -3.8516      1.00000
    106      -3.8128      1.00000
    107      -1.7874      0.00000
    108      -1.7610      0.00000
    109      -1.2227      0.00000
    110      -1.1905      0.00000
    111      -0.9678      0.00000
    112      -0.7290      0.00000
    113      -0.6573      0.00000
    114      -0.5914      0.00000
    115      -0.5596      0.00000
    116      -0.1479      0.00000
    117       0.1691      0.00000
    118       0.2818      0.00000
    119       0.7053      0.00000
    120       0.9463      0.00000
    121       1.1762      0.00000
    122       1.2871      0.00000
    123       1.3384      0.00000
    124       1.5209      0.00000
    125       1.6078      0.00000
    126       1.6352      0.00000
    127       1.6998      0.00000
    128       1.7623      0.00000
    129       1.8537      0.00000
    130       2.0426      0.00000
    131       2.1333      0.00000
    132       2.2909      0.00000
    133       2.3857      0.00000
    134       2.4126      0.00000
    135       2.5625      0.00000
    136       2.6222      0.00000
    137       2.6808      0.00000
    138       2.6928      0.00000
    139       2.7649      0.00000
    140       2.9027      0.00000
    141       3.0514      0.00000
    142       3.0606      0.00000
    143       3.1753      0.00000
    144       3.2729      0.00000
    145       3.3740      0.00000
    146       3.3999      0.00000
    147       3.4561      0.00000
    148       3.5438      0.00000
    149       3.5570      0.00000
    150       3.6188      0.00000
    151       3.6536      0.00000
    152       3.6978      0.00000
    153       3.7344      0.00000
    154       3.7430      0.00000
    155       3.8196      0.00000
    156       3.8814      0.00000
    157       3.8892      0.00000
    158       3.9446      0.00000
    159       4.1785      0.00000
    160       4.2279      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0402   -7.2605    3.9861   -1.1345   -0.1862   17.4335    0.4867   -0.8154    0.7731   -0.4794
x    -3.1249   -0.0257   -0.0218   -0.0248    0.0900   -3.0582    0.0303   -0.0244    0.0085    0.0019
x    -0.0972   -0.0028    0.0036   -0.0031    0.0021   -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   204.0402    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     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   -0.0951   -0.0314    0.0615    0.0190
y     0.0229   -3.2415   -0.1796    0.1682   -2.4137   -0.6647
z   204.0402    1.7471    0.2954    0.0864    0.0012    0.0683   -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    0.0987    0.0006   -0.0010   -0.0001   -0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0012   -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  -16.5989
z     0.1393    0.2350   -0.0279    0.0575   -0.0919    0.0006
 total charge-density along one line
x   212.0000  -10.0881    5.9321   -1.9433   -0.4218   19.3567   -0.6638    0.2074    0.0678   -0.1089
x    -2.7062   -0.0094    0.0004   -0.0433    0.0953   -2.3464    0.0477   -0.0345    0.0119    0.0025
x    -0.0870   -0.0053    0.0083   -0.0080    0.0054   -0.0372    0.0000    0.0000    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  -10.0881    5.9321   -1.9433   -0.4218   19.3567   -0.6638    0.2074    0.0678   -0.1089
y    -2.7062   -0.0094    0.0004   -0.0433    0.0953   -2.3464    0.0477   -0.0345    0.0119    0.0025
y    -0.0870   -0.0053    0.0083   -0.0080    0.0054   -0.0372    0.0000    0.0000    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 -205.3429  188.9608 -170.2263  154.0261 -140.2202  126.2587 -110.7955   94.5765  -78.9647
z    64.6434  -51.7337   40.4894  -31.3946   24.6248  -19.6863   15.7209  -12.1296    8.8662   -6.1939
z     4.2599   -2.9276    1.9385   -1.1402    0.5337   -0.1494   -0.0633    0.2125   -0.3649    0.4988
z    -0.5558    0.5197   -0.4369    0.3678   -0.3342    0.3152   -0.2839    0.2367   -0.1900    0.1567
z    -0.1347    0.1146   -0.0923    0.0717   -0.0577    0.0500   -0.0441    0.0371   -0.0296    0.0240
z    -0.0208    0.0185   -0.0159    0.0129   -0.0103    0.0084   -0.0068    0.0053   -0.0039    0.0028
z    -0.0020    0.0012   -0.0004   -0.0002    0.0004   -0.0004    0.0004   -0.0006    0.0007   -0.0007
z     0.0004   -0.0002    0.0001    0.0000    0.0000    0.0001   -0.0002    0.0003   -0.0003    0.0003
z    -0.0003    0.0002   -0.0002    0.0001   -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0000   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.943   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.272   0.000  -0.100   0.000   0.000   0.240   0.000
  0.041   0.000 -11.249   0.000  -0.024  -0.006   0.000   0.238
  0.000  -0.100   0.000 -11.156   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  -0.025   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
-10.943   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.272   0.000  -0.100   0.000   0.000   0.240   0.000
  0.041   0.000 -11.249   0.000  -0.024  -0.006   0.000   0.238
  0.000  -0.100   0.000 -11.156   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  -0.025   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   0.020   0.000   0.057   0.000  -0.014  -0.025   0.026   0.000  -0.001   0.000   0.000
  0.000   1.587   0.000  -0.146   0.000   0.000   0.592   0.000   0.257   0.000   0.000   0.000   0.159   0.000   0.106  -0.035
 -0.026   0.000   1.788   0.000   0.018   0.043   0.000   0.356   0.000  -0.026  -0.234  -0.045   0.000   0.095   0.000   0.000
  0.000  -0.146   0.000   1.755   0.000   0.000   0.257   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   0.002   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  -0.023   0.189  -0.052   0.000   0.115   0.000   0.000
  0.000   0.592   0.000   0.257   0.000   0.000   0.327   0.000   0.104   0.000   0.000   0.000   0.055   0.000   0.065  -0.011
  0.057   0.000   0.356   0.000  -0.035   0.100   0.000   0.569   0.000  -0.057   0.705  -0.294   0.000   0.087   0.000   0.000
  0.000   0.257   0.000   0.295   0.000   0.000   0.104   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  -0.023   0.000  -0.057   0.000   0.036  -0.107   0.030   0.000  -0.068   0.000   0.000
 -0.025   0.000  -0.234   0.000   0.010   0.189   0.000   0.705   0.000  -0.107   1.351  -0.432   0.000   0.264   0.000   0.000
  0.026   0.000  -0.045   0.000  -0.015  -0.052   0.000  -0.294   0.000   0.030  -0.432   0.193   0.000  -0.033   0.000   0.000
  0.000   0.159   0.000   0.108   0.000   0.000   0.055   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   0.115   0.000   0.087   0.000  -0.068   0.264  -0.033   0.000   0.312   0.000   0.000
  0.000   0.106   0.000   0.038   0.000   0.000   0.065   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        0.638   0.278   8.026   8.943
  2        0.514   0.028   0.000   0.541
  3        0.514   0.028   0.000   0.541
  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   2.646
 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   1.772   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   2.646
 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   2.646
 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       44.829  89.434   8.026 142.289
 


 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  115.39: CPU time   58.37
    FORLOC:  VPU time    1.26: CPU time    1.26
    FORNL :  VPU time  443.43: CPU time  222.50
    STRESS:  VPU time 1333.52: CPU time  670.47
    FORCOR:  VPU time    8.03: CPU time    8.03
    FORHAR:  VPU time    2.27: CPU time    2.27
    MIXING:  VPU time    0.19: CPU time    0.19


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.641029 eV

  energy  without entropy=     -471.641029  energy(sigma->0) =     -471.641029
 

  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    40733.53  40738.12 -47426.90      3.98      0.00      0.00
  Hartree  40195.13  40196.44 -39446.83      1.13      0.00      0.00
  E(xc)     -779.74   -779.58   -807.28      0.14      0.00      0.00
  Local   -83220.82 -83222.77  84191.14     -1.68      0.00      0.00
  n-local   -215.87   -215.55   -203.79      0.01      0.00      0.00
  augment     22.10     20.56     17.35     -1.33      0.00      0.00
  Kinetic   3168.89   3171.24   3581.88     -6.48      0.00      0.00
  -------------------------------------------------------------------------------------
  Total        0.95     -1.40     -0.49     -2.04      0.00      0.00
  in kB        0.58     -0.85     -0.30     -1.24      0.00      0.00
  external pressure =       -0.19 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.342774714  0.009929034  0.000000000     0.080981518  0.046667950  0.000000000
    -6.162795204 10.694116801  0.000000000    -0.000075188  0.093466029  0.000000000
     0.000000000  0.000000000 19.976801649     0.000000000  0.000000000  0.050058063

  length of vectors
    12.342778707 12.342778410 19.976801649     0.093466057  0.093466059  0.050058063


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.201E-05 -.472E-04 -.961E+03   0.440E-05 -.275E-04 0.969E+03   -.847E-21 -.169E-20 -.780E+01   -.253E-08 -.540E-08 -.615E-02
   -.175E+02 -.303E+02 -.136E+03   0.183E+02 0.317E+02 0.139E+03   -.825E+00 -.143E+01 -.258E+01   0.481E-03 0.833E-03 0.104E-02
   0.175E+02 0.303E+02 -.136E+03   -.183E+02 -.317E+02 0.139E+03   0.825E+00 0.143E+01 -.258E+01   -.481E-03 -.833E-03 0.104E-02
   -.148E+01 0.853E+00 0.178E+02   0.143E+01 -.826E+00 -.178E+02   -.372E-01 0.215E-01 -.389E-02   -.764E-03 0.439E-03 -.469E-03
   0.631E+01 0.657E+01 0.202E+02   -.637E+01 -.658E+01 -.202E+02   -.237E-01 0.495E-01 -.210E-01   0.104E-03 0.645E-02 -.103E-02
   0.117E+02 0.484E+01 0.186E+02   -.118E+02 -.482E+01 -.185E+02   -.353E-02 0.247E-01 -.533E-01   0.106E-02 0.271E-02 -.542E-03
   0.500E+01 -.128E+01 0.163E+02   -.507E+01 0.132E+01 -.163E+02   -.824E-02 -.145E-02 -.909E-03   -.167E-02 -.360E-03 -.265E-03
   -.243E+01 -.271E+01 0.155E+02   0.239E+01 0.276E+01 -.155E+02   -.427E-01 0.267E-02 0.313E-02   -.361E-02 -.111E-02 -.138E-03
   0.113E+01 0.346E+01 0.155E+02   -.120E+01 -.345E+01 -.155E+02   -.237E-01 0.357E-01 0.313E-02   -.846E-03 0.368E-02 -.140E-03
   0.323E+01 0.180E+02 0.249E+02   -.330E+01 -.180E+02 -.249E+02   -.208E-01 0.120E+00 -.689E-02   0.149E-02 0.520E-02 -.128E-02
   0.219E+02 0.223E+02 0.397E+02   -.220E+02 -.225E+02 -.397E+02   0.879E-01 0.246E+00 -.147E-01   0.111E-03 0.289E-02 -.234E-02
   0.270E+02 -.481E+01 0.265E+02   -.273E+02 0.496E+01 -.265E+02   0.208E+00 -.102E+00 -.580E-01   0.134E-02 0.215E-03 -.226E-02
   0.972E+01 -.561E+01 0.155E+02   -.980E+01 0.566E+01 -.155E+02   -.133E-01 0.766E-02 0.575E-02   -.280E-03 0.158E-03 -.196E-03
   0.361E+01 -.369E+01 0.163E+02   -.368E+01 0.373E+01 -.163E+02   -.287E-02 0.787E-02 -.909E-03   -.522E-03 0.162E-02 -.271E-03
   -.560E+01 0.129E+02 0.198E+02   0.555E+01 -.130E+02 -.198E+02   -.303E-01 0.913E-01 -.118E-01   -.400E-02 0.954E-03 -.841E-03
   -.118E+02 0.333E+02 0.454E+02   0.118E+02 -.339E+02 -.458E+02   -.119E+00 0.698E+00 0.351E+00   -.427E-02 0.411E-02 -.272E-02
   0.270E+02 -.156E+02 0.687E+02   -.280E+02 0.162E+02 -.708E+02   0.955E+00 -.551E+00 0.211E+01   -.303E-03 0.173E-03 -.597E-02
   0.177E+02 -.210E+02 0.265E+02   -.180E+02 0.212E+02 -.265E+02   0.192E+00 -.129E+00 -.580E-01   0.483E-03 -.127E-02 -.226E-02
   0.167E+01 -.126E+02 0.186E+02   -.173E+01 0.126E+02 -.185E+02   -.231E-01 -.928E-02 -.533E-01   -.181E-02 -.228E-02 -.545E-03
   -.344E+01 0.126E+01 0.145E+02   0.340E+01 -.123E+01 -.144E+02   -.323E-01 0.205E-01 -.433E-01   -.300E-02 -.779E-03 -.124E-03
   -.177E+02 0.102E+02 0.206E+02   0.177E+02 -.102E+02 -.205E+02   -.931E-01 0.537E-01 -.127E+00   -.550E-02 0.317E-02 -.180E-02
   -.347E+02 -.645E+01 0.454E+02   0.353E+02 0.674E+01 -.458E+02   -.664E+00 -.246E+00 0.351E+00   -.569E-02 0.165E-02 -.271E-02
   -.839E+01 -.301E+02 0.397E+02   0.848E+01 0.303E+02 -.397E+02   -.169E+00 -.199E+00 -.147E-01   -.245E-02 -.155E-02 -.234E-02
   -.254E+01 -.875E+01 0.202E+02   0.251E+01 0.881E+01 -.202E+02   -.547E-01 -.418E-02 -.210E-01   -.553E-02 -.332E-02 -.103E-02
   0.175E+01 -.101E+01 0.155E+02   -.180E+01 0.104E+01 -.155E+02   -.306E-01 0.176E-01 -.256E-01   -.391E-02 0.226E-02 -.311E-03
   -.281E+01 0.235E+01 0.145E+02   0.276E+01 -.233E+01 -.144E+02   -.340E-01 0.177E-01 -.433E-01   -.824E-03 0.299E-02 -.121E-03
   -.140E+02 -.161E+01 0.198E+02   0.140E+02 0.167E+01 -.198E+02   -.942E-01 -.194E-01 -.118E-01   -.283E-02 0.298E-02 -.836E-03
   -.139E+02 -.118E+02 0.249E+02   0.140E+02 0.119E+02 -.249E+02   -.115E+00 -.421E-01 -.689E-02   -.376E-02 -.389E-02 -.128E-02
   0.254E+01 0.875E+01 0.202E+02   -.251E+01 -.881E+01 -.202E+02   0.547E-01 0.418E-02 -.210E-01   0.553E-02 0.332E-02 -.103E-02
   0.139E+02 0.118E+02 0.249E+02   -.140E+02 -.119E+02 -.249E+02   0.115E+00 0.421E-01 -.689E-02   0.376E-02 0.389E-02 -.128E-02
   0.140E+02 0.161E+01 0.198E+02   -.140E+02 -.167E+01 -.198E+02   0.942E-01 0.194E-01 -.118E-01   0.283E-02 -.298E-02 -.836E-03
   0.281E+01 -.235E+01 0.145E+02   -.276E+01 0.233E+01 -.144E+02   0.340E-01 -.177E-01 -.433E-01   0.824E-03 -.299E-02 -.121E-03
   -.175E+01 0.101E+01 0.155E+02   0.180E+01 -.104E+01 -.155E+02   0.306E-01 -.176E-01 -.256E-01   0.391E-02 -.226E-02 -.311E-03
   -.167E+01 0.126E+02 0.186E+02   0.173E+01 -.126E+02 -.185E+02   0.231E-01 0.928E-02 -.533E-01   0.181E-02 0.228E-02 -.545E-03
   0.839E+01 0.301E+02 0.397E+02   -.848E+01 -.303E+02 -.397E+02   0.169E+00 0.199E+00 -.147E-01   0.245E-02 0.155E-02 -.234E-02
   0.347E+02 0.645E+01 0.454E+02   -.353E+02 -.674E+01 -.458E+02   0.664E+00 0.246E+00 0.351E+00   0.569E-02 -.165E-02 -.271E-02
   0.177E+02 -.102E+02 0.206E+02   -.177E+02 0.102E+02 -.205E+02   0.931E-01 -.537E-01 -.127E+00   0.550E-02 -.317E-02 -.180E-02
   0.344E+01 -.126E+01 0.145E+02   -.340E+01 0.123E+01 -.144E+02   0.323E-01 -.205E-01 -.433E-01   0.300E-02 0.779E-03 -.124E-03
   -.361E+01 0.369E+01 0.163E+02   0.368E+01 -.373E+01 -.163E+02   0.287E-02 -.787E-02 -.909E-03   0.522E-03 -.162E-02 -.271E-03
   -.177E+02 0.210E+02 0.265E+02   0.180E+02 -.212E+02 -.265E+02   -.192E+00 0.129E+00 -.580E-01   -.483E-03 0.127E-02 -.226E-02
   -.270E+02 0.156E+02 0.687E+02   0.280E+02 -.162E+02 -.708E+02   -.955E+00 0.551E+00 0.211E+01   0.303E-03 -.173E-03 -.597E-02
   0.118E+02 -.333E+02 0.454E+02   -.118E+02 0.339E+02 -.458E+02   0.119E+00 -.698E+00 0.351E+00   0.427E-02 -.411E-02 -.272E-02
   0.560E+01 -.129E+02 0.198E+02   -.555E+01 0.130E+02 -.198E+02   0.303E-01 -.913E-01 -.118E-01   0.400E-02 -.954E-03 -.841E-03
   -.113E+01 -.346E+01 0.155E+02   0.120E+01 0.345E+01 -.155E+02   0.237E-01 -.357E-01 0.313E-02   0.846E-03 -.368E-02 -.140E-03
   -.972E+01 0.561E+01 0.155E+02   0.980E+01 -.566E+01 -.155E+02   0.133E-01 -.766E-02 0.575E-02   0.280E-03 -.158E-03 -.196E-03
   -.270E+02 0.481E+01 0.265E+02   0.273E+02 -.496E+01 -.265E+02   -.208E+00 0.102E+00 -.580E-01   -.134E-02 -.215E-03 -.226E-02
   -.219E+02 -.223E+02 0.397E+02   0.220E+02 0.225E+02 -.397E+02   -.879E-01 -.246E+00 -.147E-01   -.111E-03 -.289E-02 -.234E-02
   -.323E+01 -.180E+02 0.249E+02   0.330E+01 0.180E+02 -.249E+02   0.208E-01 -.120E+00 -.689E-02   -.149E-02 -.520E-02 -.128E-02
   0.148E+01 -.853E+00 0.178E+02   -.143E+01 0.826E+00 -.178E+02   0.372E-01 -.215E-01 -.389E-02   0.764E-03 -.439E-03 -.469E-03
   0.243E+01 0.271E+01 0.155E+02   -.239E+01 -.276E+01 -.155E+02   0.427E-01 -.267E-02 0.313E-02   0.361E-02 0.111E-02 -.138E-03
   -.500E+01 0.128E+01 0.163E+02   0.507E+01 -.132E+01 -.163E+02   0.824E-02 0.145E-02 -.909E-03   0.167E-02 0.360E-03 -.265E-03
   -.117E+02 -.484E+01 0.186E+02   0.118E+02 0.482E+01 -.185E+02   0.353E-02 -.247E-01 -.533E-01   -.106E-02 -.271E-02 -.542E-03
   -.631E+01 -.657E+01 0.202E+02   0.637E+01 0.658E+01 -.202E+02   0.237E-01 -.495E-01 -.210E-01   -.104E-03 -.645E-02 -.103E-02
 -----------------------------------------------------------------------------------------------
   -.176E-02 0.265E-03 0.853E+01   0.123E-12 -.586E-13 -.192E-12   -.173E-15 0.118E-15 -.846E+01   -.349E-07 0.569E-08 -.677E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85628      6.06430     12.31743         0.000000      0.000000      0.050059
      2.26271      6.76825     13.63919         0.001275      0.002209     -0.003174
      1.44986      5.36035     13.63919        -0.001275     -0.002209     -0.003174
     -6.16162     10.69344      9.93656        -0.085491      0.049358     -0.002250
     11.11020      2.14720      9.93920        -0.090248      0.053013     -0.003976
      9.87658      4.28677      9.95283        -0.085123      0.045291      0.000698
      8.64505      6.42603      9.95323        -0.083467      0.045803     -0.000624
     -4.92800      8.55493      9.94642        -0.084632      0.052013      0.000989
     -3.69281     10.69435      9.94642        -0.087361      0.047287      0.000989
      1.23637      2.13760      9.95232        -0.088726      0.037417     -0.000478
     -0.00043      4.27604      9.98302        -0.081569      0.054773      0.004189
     -1.23302      6.41711      9.99038        -0.085426      0.052616     -0.003200
     -2.45968      8.55613      9.96131        -0.091397      0.052768     -0.001413
      4.93741      0.00419      9.95323        -0.081400      0.049383     -0.000624
      3.70543      2.13942      9.96167        -0.077967      0.048131     -0.001821
      2.47335      4.26580     10.02884        -0.088435      0.049812      0.001821
      1.23269      6.42433     10.10265        -0.074128      0.042798     -0.016715
      0.00609      8.56332      9.99038        -0.088279      0.047673     -0.003200
      7.40582      0.00729      9.95283        -0.081785      0.051073      0.000698
      6.17310      2.14454      9.95356        -0.080568      0.053277     -0.001518
      4.94206      4.28273      9.98424        -0.087708      0.050638      0.002679
      3.72237      6.42916     10.02884        -0.087356      0.051681      0.001821
      2.47661      8.56639      9.98302        -0.088219      0.043255      0.004189
      9.87556      0.00874      9.93920        -0.091035      0.051650     -0.003976
      8.64158      2.14681      9.94156        -0.088024      0.050821      0.003680
      7.40931      4.28571      9.95356        -0.086423      0.043135     -0.001518
      6.17991      6.42534      9.96167        -0.080666      0.043456     -0.001821
      4.94695      8.56451      9.95232        -0.076767      0.058131     -0.000478
     -0.00019      1.42575      9.93920         0.091035     -0.051650     -0.003976
     -1.23438      3.56409      9.95232         0.076767     -0.058131     -0.000478
     -2.46734      5.70326      9.96167         0.080666     -0.043456     -0.001821
     -3.69674      7.84289      9.95356         0.086423     -0.043135     -0.001518
     -4.92901      9.98179      9.94156         0.088024     -0.050821      0.003680
      2.46955      1.42719      9.95283         0.081785     -0.051073      0.000698
      1.23596      3.56221      9.98302         0.088219     -0.043255      0.004189
     -0.00980      5.69945     10.02884         0.087356     -0.051681      0.001821
     -1.22949      7.84588      9.98424         0.087708     -0.050638      0.002679
     -2.46053      9.98406      9.95356         0.080568     -0.053277     -0.001518
      4.93796      1.43029      9.95323         0.081400     -0.049383     -0.000624
      3.70648      3.56529      9.99038         0.088279     -0.047673     -0.003200
      2.47988      5.70427     10.10265         0.074128     -0.042798     -0.016715
      1.23922      7.86281     10.02884         0.088435     -0.049812      0.001821
      0.00714      9.98919      9.96167         0.077967     -0.048131     -0.001821
      7.40538      1.43425      9.94642         0.087361     -0.047287      0.000989
      6.17225      3.57248      9.96131         0.091397     -0.052768     -0.001413
      4.94559      5.71149      9.99038         0.085426     -0.052616     -0.003200
      3.71300      7.85256      9.98302         0.081569     -0.054773      0.004189
      2.47620      9.99101      9.95232         0.088726     -0.037417     -0.000478
      9.87419      1.43517      9.93656         0.085491     -0.049358     -0.002250
      8.64057      3.57367      9.94642         0.084632     -0.052013      0.000989
      7.41029      5.71250      9.95323         0.083467     -0.045803     -0.000624
      6.17877      7.85176      9.95283         0.085123     -0.045291      0.000698
      4.94515      9.99134      9.93920         0.090248     -0.053013     -0.003976
 -----------------------------------------------------------------------------------
    total drift:                               -0.001759      0.000265      0.004884


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




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


    WAVPRE:  VPU time    1.95: CPU time    1.95
    FEWALD:  VPU time    0.02: CPU time    0.01
    GENKIN:  VPU time    1.33: CPU time    1.33
    ORTHCH:  VPU time  183.14: CPU time   91.95
     LOOP+:  VPU time12928.98: CPU time 6669.45


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


    POTLOK:  VPU time    9.08: CPU time    9.06
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1823.20: CPU time  945.64
 BZINTS: Fermi energy: -3.153569;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  117.41: CPU time   59.42
    MIXING:  VPU time    0.14: CPU time    0.14
    ------------------------------------------
      LOOP:  VPU time 1950.24: CPU time 1014.63

 eigenvalue-minimisations  :  6096
 total energy-change (2. order) :-0.4716016E+03  (-0.4548921E+00)
 number of electron  212.0000065 magnetization    0.0000000
 augmentation part     7.9601214 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.71535E-01    rms(broyden)= 0.71496E-01
  rms(prec ) = 0.76528E-01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34028.57103113
  -1/2 Hartree   DENC   =    -40929.93104612
  -V(xc)+E(xc)   XCENC  =       726.61147142
  PAW double counting   =      4092.82725548    -4131.22187802
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2463.89828473
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.60159724 eV

  energy without entropy =     -471.60159724  energy(sigma->0) =     -471.60159724


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




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


    POTLOK:  VPU time    9.17: CPU time    9.17
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1991.28: CPU time 1026.88
 BZINTS: Fermi energy: -3.157834;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  115.45: CPU time   58.33
    MIXING:  VPU time    0.16: CPU time    0.16
    ------------------------------------------
      LOOP:  VPU time 2116.46: CPU time 1094.91

 eigenvalue-minimisations  :  6816
 total energy-change (2. order) : 0.1570163E-02  (-0.1301887E-01)
 number of electron  212.0000065 magnetization    0.0000000
 augmentation part     7.9592864 magnetization    0.0000001

 Broyden mixing:
  rms(total) = 0.50793E-01    rms(broyden)= 0.50790E-01
  rms(prec ) = 0.53976E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.4426
  2.4426

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34028.57103113
  -1/2 Hartree   DENC   =    -40929.57821473
  -V(xc)+E(xc)   XCENC  =       726.60321987
  PAW double counting   =      4092.87787033    -4131.26557504
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2464.24821224
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.60002707 eV

  energy without entropy =     -471.60002707  energy(sigma->0) =     -471.60002707


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




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


    POTLOK:  VPU time    9.07: CPU time    9.06
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1835.80: CPU time  948.40
 BZINTS: Fermi energy: -3.154535;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  116.59: CPU time   58.93
    MIXING:  VPU time    0.17: CPU time    0.17
    ------------------------------------------
      LOOP:  VPU time 1962.04: CPU time 1016.95

 eigenvalue-minimisations  :  6128
 total energy-change (2. order) : 0.7796030E-02  (-0.2794762E-02)
 number of electron  212.0000065 magnetization    0.0000000
 augmentation part     7.9594605 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.87087E-02    rms(broyden)= 0.87054E-02
  rms(prec ) = 0.94300E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5734
  2.0203  1.1266

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34028.57103113
  -1/2 Hartree   DENC   =    -40928.85776389
  -V(xc)+E(xc)   XCENC  =       726.58516235
  PAW double counting   =      4092.62486229    -4131.00502491
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2464.95035162
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.59223104 eV

  energy without entropy =     -471.59223104  energy(sigma->0) =     -471.59223104


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




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


    POTLOK:  VPU time    9.18: CPU time    9.18
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1938.07: CPU time 1000.63
 BZINTS: Fermi energy: -3.154935;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  115.26: CPU time   58.22
    MIXING:  VPU time    0.18: CPU time    0.18
    ------------------------------------------
      LOOP:  VPU time 2063.09: CPU time 1068.59

 eigenvalue-minimisations  :  6576
 total energy-change (2. order) :-0.1617401E-04  (-0.4177884E-03)
 number of electron  212.0000065 magnetization    0.0000000
 augmentation part     7.9594216 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.29732E-02    rms(broyden)= 0.29732E-02
  rms(prec ) = 0.31197E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7830
  1.2484  1.6082  2.4925

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34028.57103113
  -1/2 Hartree   DENC   =    -40928.91268709
  -V(xc)+E(xc)   XCENC  =       726.58739588
  PAW double counting   =      4092.73656917    -4131.11845623
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2464.89595368
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.59224722 eV

  energy without entropy =     -471.59224722  energy(sigma->0) =     -471.59224722


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




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


    POTLOK:  VPU time    9.09: CPU time    9.09
    SETDIJ:  VPU time    0.33: CPU time    0.34
    EDDAV :  VPU time 1421.69: CPU time  734.49
 BZINTS: Fermi energy: -3.152687;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1431.17: CPU time  743.95

 eigenvalue-minimisations  :  4224
 total energy-change (2. order) :-0.5315149E-05  (-0.7705478E-05)
 number of electron  212.0000065 magnetization    0.0000000
 augmentation part     7.9594216 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34028.57103113
  -1/2 Hartree   DENC   =    -40928.78923966
  -V(xc)+E(xc)   XCENC  =       726.58638924
  PAW double counting   =      4092.77258713    -4131.15591905
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.01695493
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.59225253 eV

  energy without entropy =     -471.59225253  energy(sigma->0) =     -471.59225253


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




 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 -58.5381       2 -39.9967       3 -39.9967       4 -58.2447       5 -58.2491
       6 -58.2561       7 -58.2468       8 -58.2453       9 -58.2453      10 -58.2611
      11 -58.3160      12 -58.2924      13 -58.2501      14 -58.2468      15 -58.2578
      16 -58.4384      17 -58.7313      18 -58.2924      19 -58.2561      20 -58.2504
      21 -58.2771      22 -58.4385      23 -58.3161      24 -58.2491      25 -58.2442
      26 -58.2504      27 -58.2578      28 -58.2611      29 -58.2490      30 -58.2610
      31 -58.2577      32 -58.2503      33 -58.2441      34 -58.2560      35 -58.3160
      36 -58.4384      37 -58.2770      38 -58.2503      39 -58.2467      40 -58.2923
      41 -58.7313      42 -58.4384      43 -58.2577      44 -58.2452      45 -58.2500
      46 -58.2923      47 -58.3160      48 -58.2610      49 -58.2446      50 -58.2452
      51 -58.2467      52 -58.2560      53 -58.2490
 
 
 
 E-fermi :  -3.1527     XC(G=0):  -2.3520     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     -22.3538      1.00000
      2     -21.5345      1.00000
      3     -21.4051      1.00000
      4     -21.4026      1.00000
      5     -21.3712      1.00000
      6     -21.3643      1.00000
      7     -21.3568      1.00000
      8     -19.6435      1.00000
      9     -19.5738      1.00000
     10     -19.5595      1.00000
     11     -19.5593      1.00000
     12     -19.5397      1.00000
     13     -19.5321      1.00000
     14     -18.7239      1.00000
     15     -18.6897      1.00000
     16     -18.6653      1.00000
     17     -18.6524      1.00000
     18     -18.6464      1.00000
     19     -18.6364      1.00000
     20     -16.5806      1.00000
     21     -16.5638      1.00000
     22     -16.5549      1.00000
     23     -16.4782      1.00000
     24     -16.4770      1.00000
     25     -16.4613      1.00000
     26     -15.5640      1.00000
     27     -15.5631      1.00000
     28     -15.5392      1.00000
     29     -15.5351      1.00000
     30     -15.4696      1.00000
     31     -15.4118      1.00000
     32     -14.2060      1.00000
     33     -14.1880      1.00000
     34     -14.1786      1.00000
     35     -14.1778      1.00000
     36     -14.1345      1.00000
     37     -14.1343      1.00000
     38     -11.8653      1.00000
     39     -11.8645      1.00000
     40     -11.8552      1.00000
     41     -11.7699      1.00000
     42     -11.7614      1.00000
     43     -11.7511      1.00000
     44     -11.7048      1.00000
     45     -11.6894      1.00000
     46     -11.6699      1.00000
     47     -11.6585      1.00000
     48     -11.6508      1.00000
     49     -11.6340      1.00000
     50     -10.6675      1.00000
     51     -10.3578      1.00000
     52     -10.3430      1.00000
     53     -10.3337      1.00000
     54     -10.3296      1.00000
     55     -10.2440      1.00000
     56     -10.2225      1.00000
     57      -9.9189      1.00000
     58      -9.3758      1.00000
     59      -9.3550      1.00000
     60      -9.2948      1.00000
     61      -9.2939      1.00000
     62      -9.2832      1.00000
     63      -9.0810      1.00000
     64      -9.0791      1.00000
     65      -9.0636      1.00000
     66      -9.0284      1.00000
     67      -9.0237      1.00000
     68      -9.0157      1.00000
     69      -8.9990      1.00000
     70      -8.9966      1.00000
     71      -8.9847      1.00000
     72      -8.9816      1.00000
     73      -8.9306      1.00000
     74      -8.9271      1.00000
     75      -8.5093      1.00000
     76      -7.5333      1.00000
     77      -7.4544      1.00000
     78      -7.4138      1.00000
     79      -7.3838      1.00000
     80      -7.3811      1.00000
     81      -7.3248      1.00000
     82      -7.3219      1.00000
     83      -7.3141      1.00000
     84      -7.2622      1.00000
     85      -7.2149      1.00000
     86      -7.1805      1.00000
     87      -7.1735      1.00000
     88      -7.0665      1.00000
     89      -6.5413      1.00000
     90      -6.4447      1.00000
     91      -6.3354      1.00000
     92      -6.3233      1.00000
     93      -6.2720      1.00000
     94      -6.2718      1.00000
     95      -5.9948      1.00000
     96      -5.7846      1.00000
     97      -5.0773      1.00000
     98      -4.9170      1.00000
     99      -4.5486      1.00000
    100      -4.3522      1.00000
    101      -4.2997      1.00000
    102      -4.2996      1.00000
    103      -4.0959      1.00000
    104      -3.9296      1.00000
    105      -3.9050      1.00000
    106      -3.8309      1.00000
    107      -1.7187      0.00000
    108      -1.6235      0.00000
    109      -1.5829      0.00000
    110      -1.5621      0.00000
    111      -1.5130      0.00000
    112      -1.4456      0.00000
    113      -0.5810      0.00000
    114       0.1669      0.00000
    115       0.1830      0.00000
    116       0.2990      0.00000
    117       0.3202      0.00000
    118       0.3789      0.00000
    119       0.4751      0.00000
    120       0.6074      0.00000
    121       1.2605      0.00000
    122       1.2898      0.00000
    123       1.5429      0.00000
    124       1.7492      0.00000
    125       1.8085      0.00000
    126       1.8167      0.00000
    127       1.8168      0.00000
    128       1.9315      0.00000
    129       1.9903      0.00000
    130       1.9937      0.00000
    131       2.0383      0.00000
    132       2.0685      0.00000
    133       2.0761      0.00000
    134       2.0811      0.00000
    135       2.3253      0.00000
    136       2.3306      0.00000
    137       2.6282      0.00000
    138       2.6413      0.00000
    139       2.6601      0.00000
    140       2.7221      0.00000
    141       2.8965      0.00000
    142       3.0015      0.00000
    143       3.0071      0.00000
    144       3.0123      0.00000
    145       3.0127      0.00000
    146       3.0266      0.00000
    147       3.0798      0.00000
    148       3.2439      0.00000
    149       3.4246      0.00000
    150       3.5474      0.00000
    151       3.8034      0.00000
    152       3.9316      0.00000
    153       3.9345      0.00000
    154       3.9503      0.00000
    155       3.9549      0.00000
    156       4.0167      0.00000
    157       4.1802      0.00000
    158       4.2553      0.00000
    159       4.2879      0.00000
    160       4.2918      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3172      1.00000
      2     -21.7584      1.00000
      3     -21.5689      1.00000
      4     -21.5357      1.00000
      5     -21.2058      1.00000
      6     -21.1604      1.00000
      7     -20.9837      1.00000
      8     -20.0990      1.00000
      9     -20.0543      1.00000
     10     -19.5471      1.00000
     11     -19.5229      1.00000
     12     -19.3435      1.00000
     13     -19.0212      1.00000
     14     -18.9941      1.00000
     15     -18.9778      1.00000
     16     -18.9659      1.00000
     17     -18.3026      1.00000
     18     -18.2759      1.00000
     19     -17.9411      1.00000
     20     -16.9989      1.00000
     21     -16.9463      1.00000
     22     -16.9079      1.00000
     23     -16.8503      1.00000
     24     -16.4371      1.00000
     25     -16.3902      1.00000
     26     -15.5733      1.00000
     27     -15.4875      1.00000
     28     -15.1959      1.00000
     29     -15.1305      1.00000
     30     -15.1195      1.00000
     31     -15.0511      1.00000
     32     -15.0200      1.00000
     33     -14.6468      1.00000
     34     -14.5985      1.00000
     35     -13.6691      1.00000
     36     -13.6298      1.00000
     37     -13.1825      1.00000
     38     -12.5934      1.00000
     39     -12.5161      1.00000
     40     -12.4089      1.00000
     41     -12.3754      1.00000
     42     -12.0338      1.00000
     43     -11.9998      1.00000
     44     -11.6456      1.00000
     45     -11.5998      1.00000
     46     -11.2299      1.00000
     47     -11.1381      1.00000
     48     -10.9746      1.00000
     49     -10.9356      1.00000
     50     -10.8694      1.00000
     51     -10.8048      1.00000
     52     -10.5930      1.00000
     53     -10.1279      1.00000
     54     -10.1077      1.00000
     55     -10.0599      1.00000
     56      -9.9799      1.00000
     57      -9.6744      1.00000
     58      -9.6275      1.00000
     59      -9.5590      1.00000
     60      -9.5402      1.00000
     61      -9.4960      1.00000
     62      -9.4576      1.00000
     63      -9.2736      1.00000
     64      -9.2500      1.00000
     65      -9.2087      1.00000
     66      -9.1519      1.00000
     67      -9.0807      1.00000
     68      -9.0618      1.00000
     69      -9.0292      1.00000
     70      -8.8778      1.00000
     71      -8.7882      1.00000
     72      -8.5678      1.00000
     73      -8.5195      1.00000
     74      -8.4340      1.00000
     75      -8.0729      1.00000
     76      -7.8225      1.00000
     77      -7.8038      1.00000
     78      -7.7692      1.00000
     79      -7.7339      1.00000
     80      -7.6470      1.00000
     81      -7.3835      1.00000
     82      -7.3132      1.00000
     83      -7.2528      1.00000
     84      -7.2309      1.00000
     85      -7.1822      1.00000
     86      -6.9952      1.00000
     87      -6.9039      1.00000
     88      -6.7652      1.00000
     89      -6.6713      1.00000
     90      -6.5940      1.00000
     91      -6.5430      1.00000
     92      -6.1413      1.00000
     93      -6.0904      1.00000
     94      -5.9835      1.00000
     95      -5.8775      1.00000
     96      -5.7086      1.00000
     97      -5.1842      1.00000
     98      -4.9727      1.00000
     99      -4.6888      1.00000
    100      -4.6133      1.00000
    101      -4.4556      1.00000
    102      -4.3625      1.00000
    103      -4.1204      1.00000
    104      -3.8695      1.00000
    105      -3.8303      1.00000
    106      -3.8159      1.00000
    107      -1.7774      0.00000
    108      -1.6914      0.00000
    109      -1.4292      0.00000
    110      -1.3139      0.00000
    111      -1.2941      0.00000
    112      -1.2225      0.00000
    113      -0.7648      0.00000
    114      -0.4023      0.00000
    115      -0.1606      0.00000
    116      -0.0398      0.00000
    117       0.6074      0.00000
    118       0.7370      0.00000
    119       0.7855      0.00000
    120       1.0362      0.00000
    121       1.1299      0.00000
    122       1.2360      0.00000
    123       1.2820      0.00000
    124       1.4172      0.00000
    125       1.4815      0.00000
    126       1.6035      0.00000
    127       1.7387      0.00000
    128       1.8393      0.00000
    129       1.9111      0.00000
    130       1.9718      0.00000
    131       2.1079      0.00000
    132       2.2537      0.00000
    133       2.2555      0.00000
    134       2.3092      0.00000
    135       2.4974      0.00000
    136       2.5830      0.00000
    137       2.6490      0.00000
    138       2.7612      0.00000
    139       2.7762      0.00000
    140       2.8041      0.00000
    141       2.8411      0.00000
    142       2.8900      0.00000
    143       2.9451      0.00000
    144       3.0979      0.00000
    145       3.2814      0.00000
    146       3.2866      0.00000
    147       3.3401      0.00000
    148       3.3695      0.00000
    149       3.4740      0.00000
    150       3.5556      0.00000
    151       3.6127      0.00000
    152       3.6787      0.00000
    153       3.7100      0.00000
    154       3.9075      0.00000
    155       3.9309      0.00000
    156       3.9841      0.00000
    157       4.0679      0.00000
    158       4.1945      0.00000
    159       4.2479      0.00000
    160       4.2984      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2114      1.00000
      2     -22.0052      1.00000
      3     -21.6477      1.00000
      4     -21.6101      1.00000
      5     -20.9109      1.00000
      6     -20.8639      1.00000
      7     -20.5432      1.00000
      8     -20.5020      1.00000
      9     -20.4935      1.00000
     10     -19.9590      1.00000
     11     -19.4431      1.00000
     12     -19.4167      1.00000
     13     -19.2438      1.00000
     14     -19.2277      1.00000
     15     -18.3795      1.00000
     16     -18.3337      1.00000
     17     -17.8674      1.00000
     18     -17.8357      1.00000
     19     -17.6918      1.00000
     20     -17.6464      1.00000
     21     -17.3886      1.00000
     22     -17.3471      1.00000
     23     -17.2521      1.00000
     24     -16.4185      1.00000
     25     -16.3995      1.00000
     26     -15.9230      1.00000
     27     -15.3677      1.00000
     28     -15.3044      1.00000
     29     -15.0458      1.00000
     30     -14.9945      1.00000
     31     -14.7738      1.00000
     32     -14.7328      1.00000
     33     -14.2497      1.00000
     34     -14.1981      1.00000
     35     -13.4051      1.00000
     36     -13.3399      1.00000
     37     -13.1168      1.00000
     38     -13.0789      1.00000
     39     -12.9358      1.00000
     40     -12.9134      1.00000
     41     -12.5468      1.00000
     42     -12.5109      1.00000
     43     -12.1480      1.00000
     44     -11.5098      1.00000
     45     -11.4530      1.00000
     46     -11.2442      1.00000
     47     -11.1927      1.00000
     48     -11.0949      1.00000
     49     -10.6716      1.00000
     50     -10.6116      1.00000
     51     -10.5037      1.00000
     52     -10.2801      1.00000
     53     -10.2320      1.00000
     54     -10.1186      1.00000
     55     -10.0947      1.00000
     56     -10.0022      1.00000
     57      -9.7689      1.00000
     58      -9.7342      1.00000
     59      -9.6753      1.00000
     60      -9.6547      1.00000
     61      -9.6194      1.00000
     62      -9.5881      1.00000
     63      -9.3207      1.00000
     64      -9.2833      1.00000
     65      -9.2406      1.00000
     66      -9.0843      1.00000
     67      -8.9461      1.00000
     68      -8.8165      1.00000
     69      -8.7250      1.00000
     70      -8.5876      1.00000
     71      -8.4939      1.00000
     72      -8.3313      1.00000
     73      -8.3045      1.00000
     74      -8.2749      1.00000
     75      -8.2088      1.00000
     76      -8.1732      1.00000
     77      -8.1458      1.00000
     78      -8.1303      1.00000
     79      -8.1004      1.00000
     80      -7.6791      1.00000
     81      -7.3923      1.00000
     82      -7.3283      1.00000
     83      -7.2973      1.00000
     84      -7.2297      1.00000
     85      -7.1506      1.00000
     86      -7.0794      1.00000
     87      -6.9285      1.00000
     88      -6.8797      1.00000
     89      -6.5598      1.00000
     90      -6.4949      1.00000
     91      -6.1432      1.00000
     92      -6.0695      1.00000
     93      -5.9234      1.00000
     94      -5.7446      1.00000
     95      -5.6084      1.00000
     96      -5.4451      1.00000
     97      -5.3161      1.00000
     98      -5.1955      1.00000
     99      -5.1729      1.00000
    100      -5.1119      1.00000
    101      -4.5414      1.00000
    102      -4.4654      1.00000
    103      -4.1503      1.00000
    104      -3.8353      1.00000
    105      -3.7715      1.00000
    106      -3.6975      1.00000
    107      -1.8437      0.00000
    108      -1.7886      0.00000
    109      -1.3055      0.00000
    110      -1.0581      0.00000
    111      -0.9599      0.00000
    112      -0.7429      0.00000
    113      -0.6321      0.00000
    114      -0.5910      0.00000
    115      -0.5405      0.00000
    116      -0.2093      0.00000
    117       0.2170      0.00000
    118       0.2749      0.00000
    119       0.7712      0.00000
    120       0.9546      0.00000
    121       1.1570      0.00000
    122       1.2265      0.00000
    123       1.3237      0.00000
    124       1.4318      0.00000
    125       1.6191      0.00000
    126       1.6572      0.00000
    127       1.7156      0.00000
    128       1.8272      0.00000
    129       1.9307      0.00000
    130       2.0229      0.00000
    131       2.0600      0.00000
    132       2.2797      0.00000
    133       2.3857      0.00000
    134       2.4449      0.00000
    135       2.5534      0.00000
    136       2.6482      0.00000
    137       2.6987      0.00000
    138       2.7656      0.00000
    139       2.8384      0.00000
    140       2.8925      0.00000
    141       3.0498      0.00000
    142       3.1019      0.00000
    143       3.1961      0.00000
    144       3.2467      0.00000
    145       3.3832      0.00000
    146       3.4176      0.00000
    147       3.4898      0.00000
    148       3.5760      0.00000
    149       3.5968      0.00000
    150       3.6340      0.00000
    151       3.6377      0.00000
    152       3.7303      0.00000
    153       3.7458      0.00000
    154       3.7507      0.00000
    155       3.7933      0.00000
    156       3.8977      0.00000
    157       3.9778      0.00000
    158       4.0088      0.00000
    159       4.1804      0.00000
    160       4.2376      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2451      1.00000
      2     -21.8912      1.00000
      3     -21.8205      1.00000
      4     -21.3109      1.00000
      5     -21.2805      1.00000
      6     -20.7659      1.00000
      7     -20.7001      1.00000
      8     -20.5504      1.00000
      9     -20.0104      1.00000
     10     -20.0033      1.00000
     11     -19.6439      1.00000
     12     -19.6196      1.00000
     13     -18.9290      1.00000
     14     -18.9209      1.00000
     15     -18.5813      1.00000
     16     -18.5646      1.00000
     17     -18.3819      1.00000
     18     -17.5976      1.00000
     19     -17.5416      1.00000
     20     -17.5372      1.00000
     21     -17.4949      1.00000
     22     -17.0627      1.00000
     23     -17.0389      1.00000
     24     -16.9468      1.00000
     25     -15.9906      1.00000
     26     -15.7913      1.00000
     27     -15.5379      1.00000
     28     -15.5362      1.00000
     29     -15.1405      1.00000
     30     -14.8275      1.00000
     31     -14.7973      1.00000
     32     -14.5064      1.00000
     33     -14.4592      1.00000
     34     -14.0723      1.00000
     35     -14.0587      1.00000
     36     -13.1468      1.00000
     37     -13.0525      1.00000
     38     -12.9624      1.00000
     39     -12.9449      1.00000
     40     -12.6533      1.00000
     41     -12.6471      1.00000
     42     -12.2781      1.00000
     43     -12.2455      1.00000
     44     -11.5470      1.00000
     45     -11.5206      1.00000
     46     -11.4408      1.00000
     47     -10.8858      1.00000
     48     -10.8252      1.00000
     49     -10.6280      1.00000
     50     -10.5922      1.00000
     51     -10.5027      1.00000
     52     -10.4562      1.00000
     53     -10.4363      1.00000
     54     -10.4279      1.00000
     55     -10.3159      1.00000
     56     -10.0640      1.00000
     57      -9.8312      1.00000
     58      -9.5758      1.00000
     59      -9.5151      1.00000
     60      -9.4708      1.00000
     61      -9.3574      1.00000
     62      -9.3525      1.00000
     63      -9.3291      1.00000
     64      -9.3079      1.00000
     65      -9.2181      1.00000
     66      -9.0645      1.00000
     67      -9.0257      1.00000
     68      -8.9680      1.00000
     69      -8.8352      1.00000
     70      -8.7790      1.00000
     71      -8.7611      1.00000
     72      -8.5169      1.00000
     73      -8.4681      1.00000
     74      -8.2169      1.00000
     75      -8.0755      1.00000
     76      -8.0584      1.00000
     77      -7.8510      1.00000
     78      -7.8383      1.00000
     79      -7.8139      1.00000
     80      -7.6874      1.00000
     81      -7.6516      1.00000
     82      -7.6376      1.00000
     83      -7.3975      1.00000
     84      -7.3154      1.00000
     85      -7.1966      1.00000
     86      -6.8341      1.00000
     87      -6.8098      1.00000
     88      -6.6743      1.00000
     89      -6.5377      1.00000
     90      -6.4465      1.00000
     91      -6.3417      1.00000
     92      -6.2167      1.00000
     93      -6.0484      1.00000
     94      -5.9408      1.00000
     95      -5.5394      1.00000
     96      -5.3904      1.00000
     97      -5.2910      1.00000
     98      -5.2205      1.00000
     99      -5.1115      1.00000
    100      -4.7317      1.00000
    101      -4.6555      1.00000
    102      -4.3507      1.00000
    103      -4.3290      1.00000
    104      -3.9630      1.00000
    105      -3.8273      1.00000
    106      -3.4512      1.00000
    107      -2.1414      0.00000
    108      -1.3561      0.00000
    109      -1.2319      0.00000
    110      -1.1655      0.00000
    111      -1.0829      0.00000
    112      -0.9364      0.00000
    113      -0.8207      0.00000
    114      -0.8080      0.00000
    115      -0.2236      0.00000
    116       0.1610      0.00000
    117       0.2842      0.00000
    118       0.3274      0.00000
    119       0.7468      0.00000
    120       0.9115      0.00000
    121       0.9802      0.00000
    122       1.0999      0.00000
    123       1.2220      0.00000
    124       1.5345      0.00000
    125       1.5722      0.00000
    126       1.7288      0.00000
    127       1.8296      0.00000
    128       1.8521      0.00000
    129       1.9392      0.00000
    130       2.0141      0.00000
    131       2.1475      0.00000
    132       2.2941      0.00000
    133       2.3892      0.00000
    134       2.4681      0.00000
    135       2.4746      0.00000
    136       2.6927      0.00000
    137       2.7103      0.00000
    138       2.7460      0.00000
    139       2.7535      0.00000
    140       2.9001      0.00000
    141       3.0328      0.00000
    142       3.0878      0.00000
    143       3.1559      0.00000
    144       3.2021      0.00000
    145       3.2450      0.00000
    146       3.2789      0.00000
    147       3.3542      0.00000
    148       3.4835      0.00000
    149       3.5439      0.00000
    150       3.7108      0.00000
    151       3.7332      0.00000
    152       3.7380      0.00000
    153       3.8274      0.00000
    154       3.8879      0.00000
    155       3.9512      0.00000
    156       3.9617      0.00000
    157       4.0022      0.00000
    158       4.0301      0.00000
    159       4.0479      0.00000
    160       4.1522      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1390      1.00000
      2     -22.0443      1.00000
      3     -21.8846      1.00000
      4     -21.3332      1.00000
      5     -20.9790      1.00000
      6     -20.9405      1.00000
      7     -20.4311      1.00000
      8     -20.3886      1.00000
      9     -20.2226      1.00000
     10     -20.2010      1.00000
     11     -19.8890      1.00000
     12     -19.8220      1.00000
     13     -18.8170      1.00000
     14     -18.7464      1.00000
     15     -18.2833      1.00000
     16     -18.2300      1.00000
     17     -18.0899      1.00000
     18     -18.0616      1.00000
     19     -17.7566      1.00000
     20     -17.7127      1.00000
     21     -17.2150      1.00000
     22     -17.1632      1.00000
     23     -17.0749      1.00000
     24     -17.0669      1.00000
     25     -16.0717      1.00000
     26     -15.8347      1.00000
     27     -15.7990      1.00000
     28     -15.7498      1.00000
     29     -15.1370      1.00000
     30     -14.5014      1.00000
     31     -14.4398      1.00000
     32     -14.1826      1.00000
     33     -13.9250      1.00000
     34     -13.8914      1.00000
     35     -13.8022      1.00000
     36     -13.7276      1.00000
     37     -13.5404      1.00000
     38     -13.4825      1.00000
     39     -13.3061      1.00000
     40     -12.5880      1.00000
     41     -12.1137      1.00000
     42     -12.0467      1.00000
     43     -12.0048      1.00000
     44     -11.9188      1.00000
     45     -11.6276      1.00000
     46     -11.6042      1.00000
     47     -11.1067      1.00000
     48     -11.0310      1.00000
     49     -10.7411      1.00000
     50     -10.6488      1.00000
     51     -10.5192      1.00000
     52     -10.1723      1.00000
     53     -10.1175      1.00000
     54     -10.0938      1.00000
     55      -9.9739      1.00000
     56      -9.9480      1.00000
     57      -9.9196      1.00000
     58      -9.7703      1.00000
     59      -9.7542      1.00000
     60      -9.7206      1.00000
     61      -9.6549      1.00000
     62      -9.4260      1.00000
     63      -9.3524      1.00000
     64      -9.0846      1.00000
     65      -9.0381      1.00000
     66      -8.9727      1.00000
     67      -8.8524      1.00000
     68      -8.8061      1.00000
     69      -8.6847      1.00000
     70      -8.6222      1.00000
     71      -8.5598      1.00000
     72      -8.4664      1.00000
     73      -8.4530      1.00000
     74      -8.4303      1.00000
     75      -8.3132      1.00000
     76      -8.1865      1.00000
     77      -8.1119      1.00000
     78      -7.9687      1.00000
     79      -7.9130      1.00000
     80      -7.8893      1.00000
     81      -7.6285      1.00000
     82      -7.5339      1.00000
     83      -7.4321      1.00000
     84      -7.2540      1.00000
     85      -6.9964      1.00000
     86      -6.8997      1.00000
     87      -6.8497      1.00000
     88      -6.5883      1.00000
     89      -6.4523      1.00000
     90      -6.3624      1.00000
     91      -6.3384      1.00000
     92      -6.0497      1.00000
     93      -5.8721      1.00000
     94      -5.7635      1.00000
     95      -5.6920      1.00000
     96      -5.4913      1.00000
     97      -5.3328      1.00000
     98      -5.2004      1.00000
     99      -5.1340      1.00000
    100      -5.1170      1.00000
    101      -4.7295      1.00000
    102      -4.4369      1.00000
    103      -4.2673      1.00000
    104      -3.9962      1.00000
    105      -3.8264      1.00000
    106      -3.1823      1.00000
    107      -2.4306      0.00000
    108      -1.4059      0.00000
    109      -1.2001      0.00000
    110      -1.1813      0.00000
    111      -1.0550      0.00000
    112      -0.5694      0.00000
    113      -0.4878      0.00000
    114      -0.4213      0.00000
    115      -0.2682      0.00000
    116      -0.2078      0.00000
    117       0.0256      0.00000
    118       0.1081      0.00000
    119       0.5651      0.00000
    120       0.7002      0.00000
    121       0.8782      0.00000
    122       0.9809      0.00000
    123       1.1199      0.00000
    124       1.5053      0.00000
    125       1.6807      0.00000
    126       1.8207      0.00000
    127       1.8913      0.00000
    128       2.0678      0.00000
    129       2.1170      0.00000
    130       2.1594      0.00000
    131       2.2194      0.00000
    132       2.3274      0.00000
    133       2.3558      0.00000
    134       2.4867      0.00000
    135       2.5665      0.00000
    136       2.6832      0.00000
    137       2.8797      0.00000
    138       2.9211      0.00000
    139       2.9684      0.00000
    140       2.9954      0.00000
    141       3.0481      0.00000
    142       3.1348      0.00000
    143       3.1629      0.00000
    144       3.2450      0.00000
    145       3.2968      0.00000
    146       3.3301      0.00000
    147       3.3609      0.00000
    148       3.3832      0.00000
    149       3.4029      0.00000
    150       3.5024      0.00000
    151       3.5485      0.00000
    152       3.6080      0.00000
    153       3.6425      0.00000
    154       3.6890      0.00000
    155       3.7196      0.00000
    156       3.9214      0.00000
    157       3.9335      0.00000
    158       4.0733      0.00000
    159       4.1069      0.00000
    160       4.2087      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     -21.8193      1.00000
      4     -21.3131      1.00000
      5     -21.2744      1.00000
      6     -20.7701      1.00000
      7     -20.7017      1.00000
      8     -20.5542      1.00000
      9     -20.0188      1.00000
     10     -19.9864      1.00000
     11     -19.6497      1.00000
     12     -19.6180      1.00000
     13     -18.9416      1.00000
     14     -18.9054      1.00000
     15     -18.5772      1.00000
     16     -18.5396      1.00000
     17     -18.3959      1.00000
     18     -17.6008      1.00000
     19     -17.5945      1.00000
     20     -17.5419      1.00000
     21     -17.5131      1.00000
     22     -17.0750      1.00000
     23     -17.0208      1.00000
     24     -16.8715      1.00000
     25     -15.9153      1.00000
     26     -15.8863      1.00000
     27     -15.5367      1.00000
     28     -15.4762      1.00000
     29     -15.2502      1.00000
     30     -14.8021      1.00000
     31     -14.7358      1.00000
     32     -14.5396      1.00000
     33     -14.4432      1.00000
     34     -14.1143      1.00000
     35     -14.1014      1.00000
     36     -13.0748      1.00000
     37     -13.0170      1.00000
     38     -12.9825      1.00000
     39     -12.9203      1.00000
     40     -12.6639      1.00000
     41     -12.6087      1.00000
     42     -12.2885      1.00000
     43     -12.2226      1.00000
     44     -11.6065      1.00000
     45     -11.5589      1.00000
     46     -11.5322      1.00000
     47     -10.8938      1.00000
     48     -10.8728      1.00000
     49     -10.6768      1.00000
     50     -10.5295      1.00000
     51     -10.4904      1.00000
     52     -10.4609      1.00000
     53     -10.3755      1.00000
     54     -10.3320      1.00000
     55     -10.2738      1.00000
     56     -10.0583      1.00000
     57      -9.8303      1.00000
     58      -9.5481      1.00000
     59      -9.4673      1.00000
     60      -9.4366      1.00000
     61      -9.3789      1.00000
     62      -9.3268      1.00000
     63      -9.3115      1.00000
     64      -9.2540      1.00000
     65      -9.2055      1.00000
     66      -9.1466      1.00000
     67      -9.0954      1.00000
     68      -9.0708      1.00000
     69      -8.8501      1.00000
     70      -8.8304      1.00000
     71      -8.7563      1.00000
     72      -8.5346      1.00000
     73      -8.4984      1.00000
     74      -8.2356      1.00000
     75      -8.1689      1.00000
     76      -8.0849      1.00000
     77      -7.7930      1.00000
     78      -7.7588      1.00000
     79      -7.7214      1.00000
     80      -7.6925      1.00000
     81      -7.6703      1.00000
     82      -7.5634      1.00000
     83      -7.3894      1.00000
     84      -7.3546      1.00000
     85      -7.2147      1.00000
     86      -6.9031      1.00000
     87      -6.7579      1.00000
     88      -6.6534      1.00000
     89      -6.5099      1.00000
     90      -6.3375      1.00000
     91      -6.2539      1.00000
     92      -6.1827      1.00000
     93      -6.1334      1.00000
     94      -6.0349      1.00000
     95      -5.6738      1.00000
     96      -5.4888      1.00000
     97      -5.3281      1.00000
     98      -5.1683      1.00000
     99      -5.0143      1.00000
    100      -4.7549      1.00000
    101      -4.6550      1.00000
    102      -4.3454      1.00000
    103      -4.1982      1.00000
    104      -4.0096      1.00000
    105      -3.8261      1.00000
    106      -3.4478      1.00000
    107      -2.2035      0.00000
    108      -1.4149      0.00000
    109      -1.2417      0.00000
    110      -1.1856      0.00000
    111      -1.0424      0.00000
    112      -0.8942      0.00000
    113      -0.7876      0.00000
    114      -0.6966      0.00000
    115      -0.3685      0.00000
    116       0.2344      0.00000
    117       0.2541      0.00000
    118       0.3754      0.00000
    119       0.7086      0.00000
    120       0.8767      0.00000
    121       0.9445      0.00000
    122       1.1361      0.00000
    123       1.2484      0.00000
    124       1.4674      0.00000
    125       1.5755      0.00000
    126       1.7793      0.00000
    127       1.8562      0.00000
    128       1.8691      0.00000
    129       1.9938      0.00000
    130       2.0302      0.00000
    131       2.1837      0.00000
    132       2.2307      0.00000
    133       2.3826      0.00000
    134       2.4129      0.00000
    135       2.5124      0.00000
    136       2.6303      0.00000
    137       2.6869      0.00000
    138       2.7327      0.00000
    139       2.7762      0.00000
    140       2.8747      0.00000
    141       2.9832      0.00000
    142       3.0843      0.00000
    143       3.1570      0.00000
    144       3.2008      0.00000
    145       3.2487      0.00000
    146       3.2869      0.00000
    147       3.3235      0.00000
    148       3.4853      0.00000
    149       3.5224      0.00000
    150       3.7003      0.00000
    151       3.7331      0.00000
    152       3.7801      0.00000
    153       3.8640      0.00000
    154       3.8779      0.00000
    155       3.9037      0.00000
    156       3.9505      0.00000
    157       4.0062      0.00000
    158       4.0343      0.00000
    159       4.0491      0.00000
    160       4.1514      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3172      1.00000
      2     -21.7600      1.00000
      3     -21.5650      1.00000
      4     -21.5368      1.00000
      5     -21.2026      1.00000
      6     -21.1630      1.00000
      7     -20.9861      1.00000
      8     -20.0987      1.00000
      9     -20.0594      1.00000
     10     -19.5376      1.00000
     11     -19.5189      1.00000
     12     -19.3503      1.00000
     13     -19.0274      1.00000
     14     -18.9843      1.00000
     15     -18.9738      1.00000
     16     -18.9720      1.00000
     17     -18.2883      1.00000
     18     -18.2760      1.00000
     19     -17.9648      1.00000
     20     -17.0216      1.00000
     21     -16.9850      1.00000
     22     -16.8709      1.00000
     23     -16.8550      1.00000
     24     -16.3842      1.00000
     25     -16.3598      1.00000
     26     -15.5623      1.00000
     27     -15.5584      1.00000
     28     -15.2228      1.00000
     29     -15.2193      1.00000
     30     -15.0956      1.00000
     31     -14.9859      1.00000
     32     -14.9486      1.00000
     33     -14.6439      1.00000
     34     -14.6361      1.00000
     35     -13.6804      1.00000
     36     -13.6693      1.00000
     37     -13.1426      1.00000
     38     -12.5341      1.00000
     39     -12.4719      1.00000
     40     -12.3618      1.00000
     41     -12.3602      1.00000
     42     -12.0929      1.00000
     43     -12.0877      1.00000
     44     -11.6803      1.00000
     45     -11.6400      1.00000
     46     -11.1787      1.00000
     47     -11.1298      1.00000
     48     -10.9444      1.00000
     49     -10.9306      1.00000
     50     -10.8991      1.00000
     51     -10.8668      1.00000
     52     -10.6214      1.00000
     53     -10.1157      1.00000
     54     -10.0212      1.00000
     55      -9.9757      1.00000
     56      -9.9241      1.00000
     57      -9.6562      1.00000
     58      -9.6545      1.00000
     59      -9.6080      1.00000
     60      -9.5487      1.00000
     61      -9.5126      1.00000
     62      -9.4791      1.00000
     63      -9.2679      1.00000
     64      -9.2229      1.00000
     65      -9.2032      1.00000
     66      -9.1977      1.00000
     67      -9.0587      1.00000
     68      -9.0268      1.00000
     69      -9.0223      1.00000
     70      -8.8829      1.00000
     71      -8.8398      1.00000
     72      -8.5897      1.00000
     73      -8.5762      1.00000
     74      -8.5237      1.00000
     75      -7.9662      1.00000
     76      -7.8692      1.00000
     77      -7.8081      1.00000
     78      -7.7893      1.00000
     79      -7.6883      1.00000
     80      -7.6704      1.00000
     81      -7.4120      1.00000
     82      -7.2359      1.00000
     83      -7.1895      1.00000
     84      -7.1719      1.00000
     85      -7.1098      1.00000
     86      -7.0592      1.00000
     87      -7.0086      1.00000
     88      -6.7241      1.00000
     89      -6.6574      1.00000
     90      -6.6149      1.00000
     91      -6.5665      1.00000
     92      -6.0844      1.00000
     93      -6.0391      1.00000
     94      -5.9460      1.00000
     95      -5.9401      1.00000
     96      -5.8404      1.00000
     97      -5.1967      1.00000
     98      -4.8974      1.00000
     99      -4.7840      1.00000
    100      -4.6495      1.00000
    101      -4.4996      1.00000
    102      -4.1153      1.00000
    103      -4.1095      1.00000
    104      -3.8972      1.00000
    105      -3.8915      1.00000
    106      -3.8240      1.00000
    107      -1.8052      0.00000
    108      -1.7485      0.00000
    109      -1.4399      0.00000
    110      -1.3484      0.00000
    111      -1.2512      0.00000
    112      -1.1607      0.00000
    113      -0.6262      0.00000
    114      -0.5275      0.00000
    115      -0.2149      0.00000
    116       0.0260      0.00000
    117       0.5879      0.00000
    118       0.7180      0.00000
    119       0.8213      0.00000
    120       0.9462      0.00000
    121       1.1978      0.00000
    122       1.2246      0.00000
    123       1.2781      0.00000
    124       1.4426      0.00000
    125       1.6025      0.00000
    126       1.6526      0.00000
    127       1.7164      0.00000
    128       1.7733      0.00000
    129       1.8807      0.00000
    130       1.8957      0.00000
    131       2.1476      0.00000
    132       2.1827      0.00000
    133       2.2627      0.00000
    134       2.3124      0.00000
    135       2.5578      0.00000
    136       2.5770      0.00000
    137       2.5841      0.00000
    138       2.7657      0.00000
    139       2.7902      0.00000
    140       2.8035      0.00000
    141       2.9098      0.00000
    142       2.9224      0.00000
    143       3.0234      0.00000
    144       3.0545      0.00000
    145       3.0938      0.00000
    146       3.2871      0.00000
    147       3.3225      0.00000
    148       3.3765      0.00000
    149       3.4824      0.00000
    150       3.5640      0.00000
    151       3.6423      0.00000
    152       3.6722      0.00000
    153       3.6780      0.00000
    154       3.8914      0.00000
    155       3.9691      0.00000
    156       4.0188      0.00000
    157       4.0746      0.00000
    158       4.2421      0.00000
    159       4.2525      0.00000
    160       4.2679      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1387      1.00000
      2     -22.0461      1.00000
      3     -21.8830      1.00000
      4     -21.3313      1.00000
      5     -20.9756      1.00000
      6     -20.9459      1.00000
      7     -20.4260      1.00000
      8     -20.3937      1.00000
      9     -20.2179      1.00000
     10     -20.2167      1.00000
     11     -19.8816      1.00000
     12     -19.8177      1.00000
     13     -18.8080      1.00000
     14     -18.7372      1.00000
     15     -18.2760      1.00000
     16     -18.2590      1.00000
     17     -18.0769      1.00000
     18     -18.0704      1.00000
     19     -17.7554      1.00000
     20     -17.7364      1.00000
     21     -17.1744      1.00000
     22     -17.1554      1.00000
     23     -17.1424      1.00000
     24     -17.0477      1.00000
     25     -15.9813      1.00000
     26     -15.8320      1.00000
     27     -15.8223      1.00000
     28     -15.7308      1.00000
     29     -15.2230      1.00000
     30     -14.4897      1.00000
     31     -14.4679      1.00000
     32     -14.2710      1.00000
     33     -13.8836      1.00000
     34     -13.8501      1.00000
     35     -13.7193      1.00000
     36     -13.6960      1.00000
     37     -13.5669      1.00000
     38     -13.5371      1.00000
     39     -13.2795      1.00000
     40     -12.5230      1.00000
     41     -12.1329      1.00000
     42     -12.1048      1.00000
     43     -12.0311      1.00000
     44     -11.9833      1.00000
     45     -11.5733      1.00000
     46     -11.5634      1.00000
     47     -11.0842      1.00000
     48     -11.0622      1.00000
     49     -10.7598      1.00000
     50     -10.6927      1.00000
     51     -10.5620      1.00000
     52     -10.1322      1.00000
     53     -10.1287      1.00000
     54     -10.1000      1.00000
     55      -9.9518      1.00000
     56      -9.9042      1.00000
     57      -9.8936      1.00000
     58      -9.7344      1.00000
     59      -9.7157      1.00000
     60      -9.6752      1.00000
     61      -9.6677      1.00000
     62      -9.4127      1.00000
     63      -9.3948      1.00000
     64      -9.0628      1.00000
     65      -8.9884      1.00000
     66      -8.9540      1.00000
     67      -8.9436      1.00000
     68      -8.8208      1.00000
     69      -8.6491      1.00000
     70      -8.6307      1.00000
     71      -8.5519      1.00000
     72      -8.5388      1.00000
     73      -8.5207      1.00000
     74      -8.4242      1.00000
     75      -8.4102      1.00000
     76      -8.2105      1.00000
     77      -8.1030      1.00000
     78      -8.0214      1.00000
     79      -7.9105      1.00000
     80      -7.7583      1.00000
     81      -7.6074      1.00000
     82      -7.5693      1.00000
     83      -7.5017      1.00000
     84      -7.2500      1.00000
     85      -6.8636      1.00000
     86      -6.8071      1.00000
     87      -6.7090      1.00000
     88      -6.5326      1.00000
     89      -6.4992      1.00000
     90      -6.4391      1.00000
     91      -6.3371      1.00000
     92      -6.2170      1.00000
     93      -5.8735      1.00000
     94      -5.7393      1.00000
     95      -5.7071      1.00000
     96      -5.5541      1.00000
     97      -5.3233      1.00000
     98      -5.2309      1.00000
     99      -5.1662      1.00000
    100      -5.1063      1.00000
    101      -4.6666      1.00000
    102      -4.3246      1.00000
    103      -4.2916      1.00000
    104      -4.0272      1.00000
    105      -3.8272      1.00000
    106      -3.1710      1.00000
    107      -2.4704      0.00000
    108      -1.3708      0.00000
    109      -1.2089      0.00000
    110      -1.1572      0.00000
    111      -1.1536      0.00000
    112      -0.5866      0.00000
    113      -0.4883      0.00000
    114      -0.3947      0.00000
    115      -0.2872      0.00000
    116      -0.0639      0.00000
    117       0.0253      0.00000
    118       0.1121      0.00000
    119       0.5437      0.00000
    120       0.6699      0.00000
    121       0.8112      0.00000
    122       0.9539      0.00000
    123       1.1961      0.00000
    124       1.5234      0.00000
    125       1.6416      0.00000
    126       1.8758      0.00000
    127       2.0006      0.00000
    128       2.0596      0.00000
    129       2.0766      0.00000
    130       2.1257      0.00000
    131       2.2187      0.00000
    132       2.2605      0.00000
    133       2.3162      0.00000
    134       2.4260      0.00000
    135       2.6124      0.00000
    136       2.7053      0.00000
    137       2.8426      0.00000
    138       2.9388      0.00000
    139       2.9616      0.00000
    140       3.0067      0.00000
    141       3.0578      0.00000
    142       3.1314      0.00000
    143       3.1706      0.00000
    144       3.2274      0.00000
    145       3.3078      0.00000
    146       3.3229      0.00000
    147       3.3551      0.00000
    148       3.3761      0.00000
    149       3.4282      0.00000
    150       3.4292      0.00000
    151       3.5459      0.00000
    152       3.5967      0.00000
    153       3.6471      0.00000
    154       3.6867      0.00000
    155       3.8625      0.00000
    156       3.9133      0.00000
    157       3.9457      0.00000
    158       3.9699      0.00000
    159       4.1598      0.00000
    160       4.1920      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2114      1.00000
      2     -22.0066      1.00000
      3     -21.6433      1.00000
      4     -21.6112      1.00000
      5     -20.9082      1.00000
      6     -20.8669      1.00000
      7     -20.5389      1.00000
      8     -20.5079      1.00000
      9     -20.4985      1.00000
     10     -19.9658      1.00000
     11     -19.4322      1.00000
     12     -19.4121      1.00000
     13     -19.2322      1.00000
     14     -19.2258      1.00000
     15     -18.3827      1.00000
     16     -18.3475      1.00000
     17     -17.8507      1.00000
     18     -17.8358      1.00000
     19     -17.7033      1.00000
     20     -17.6677      1.00000
     21     -17.3623      1.00000
     22     -17.3488      1.00000
     23     -17.3108      1.00000
     24     -16.3840      1.00000
     25     -16.3592      1.00000
     26     -15.8459      1.00000
     27     -15.3566      1.00000
     28     -15.3506      1.00000
     29     -15.0419      1.00000
     30     -15.0309      1.00000
     31     -14.8390      1.00000
     32     -14.8348      1.00000
     33     -14.1981      1.00000
     34     -14.1464      1.00000
     35     -13.3491      1.00000
     36     -13.2937      1.00000
     37     -13.1356      1.00000
     38     -13.1266      1.00000
     39     -12.8808      1.00000
     40     -12.8741      1.00000
     41     -12.5819      1.00000
     42     -12.5733      1.00000
     43     -12.1026      1.00000
     44     -11.5428      1.00000
     45     -11.4982      1.00000
     46     -11.2785      1.00000
     47     -11.2469      1.00000
     48     -11.0518      1.00000
     49     -10.6976      1.00000
     50     -10.5818      1.00000
     51     -10.5005      1.00000
     52     -10.2410      1.00000
     53     -10.2379      1.00000
     54     -10.1204      1.00000
     55     -10.0539      1.00000
     56     -10.0355      1.00000
     57      -9.7796      1.00000
     58      -9.6618      1.00000
     59      -9.6554      1.00000
     60      -9.6126      1.00000
     61      -9.5998      1.00000
     62      -9.5766      1.00000
     63      -9.2769      1.00000
     64      -9.2708      1.00000
     65      -9.2542      1.00000
     66      -9.0651      1.00000
     67      -8.9081      1.00000
     68      -8.8972      1.00000
     69      -8.7178      1.00000
     70      -8.5857      1.00000
     71      -8.5624      1.00000
     72      -8.3668      1.00000
     73      -8.3308      1.00000
     74      -8.2808      1.00000
     75      -8.2785      1.00000
     76      -8.2366      1.00000
     77      -8.2229      1.00000
     78      -8.1962      1.00000
     79      -8.1187      1.00000
     80      -7.7108      1.00000
     81      -7.4084      1.00000
     82      -7.2571      1.00000
     83      -7.1709      1.00000
     84      -7.0954      1.00000
     85      -7.0730      1.00000
     86      -6.9844      1.00000
     87      -6.8822      1.00000
     88      -6.8283      1.00000
     89      -6.6283      1.00000
     90      -6.4040      1.00000
     91      -6.2998      1.00000
     92      -6.2361      1.00000
     93      -5.9196      1.00000
     94      -5.6615      1.00000
     95      -5.6284      1.00000
     96      -5.5593      1.00000
     97      -5.3006      1.00000
     98      -5.2588      1.00000
     99      -5.1668      1.00000
    100      -5.1203      1.00000
    101      -4.5903      1.00000
    102      -4.2589      1.00000
    103      -4.0413      1.00000
    104      -3.8346      1.00000
    105      -3.8314      1.00000
    106      -3.7607      1.00000
    107      -1.8723      0.00000
    108      -1.8409      0.00000
    109      -1.2389      0.00000
    110      -1.1034      0.00000
    111      -0.9915      0.00000
    112      -0.7561      0.00000
    113      -0.6436      0.00000
    114      -0.5720      0.00000
    115      -0.4948      0.00000
    116      -0.1561      0.00000
    117       0.2147      0.00000
    118       0.3282      0.00000
    119       0.7108      0.00000
    120       0.9572      0.00000
    121       1.1398      0.00000
    122       1.2443      0.00000
    123       1.3628      0.00000
    124       1.5106      0.00000
    125       1.5999      0.00000
    126       1.6065      0.00000
    127       1.6728      0.00000
    128       1.7799      0.00000
    129       1.8678      0.00000
    130       2.0355      0.00000
    131       2.1467      0.00000
    132       2.2846      0.00000
    133       2.4096      0.00000
    134       2.4354      0.00000
    135       2.5763      0.00000
    136       2.6398      0.00000
    137       2.6873      0.00000
    138       2.7003      0.00000
    139       2.7680      0.00000
    140       2.9096      0.00000
    141       3.0520      0.00000
    142       3.0710      0.00000
    143       3.1942      0.00000
    144       3.2789      0.00000
    145       3.4072      0.00000
    146       3.4132      0.00000
    147       3.4608      0.00000
    148       3.5687      0.00000
    149       3.5854      0.00000
    150       3.6312      0.00000
    151       3.6679      0.00000
    152       3.7127      0.00000
    153       3.7349      0.00000
    154       3.7424      0.00000
    155       3.8333      0.00000
    156       3.9049      0.00000
    157       3.9089      0.00000
    158       3.9652      0.00000
    159       4.1853      0.00000
    160       4.2367      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3538      1.00000
      2     -21.5345      1.00000
      3     -21.4051      1.00000
      4     -21.4026      1.00000
      5     -21.3712      1.00000
      6     -21.3643      1.00000
      7     -21.3568      1.00000
      8     -19.6435      1.00000
      9     -19.5738      1.00000
     10     -19.5595      1.00000
     11     -19.5593      1.00000
     12     -19.5397      1.00000
     13     -19.5321      1.00000
     14     -18.7239      1.00000
     15     -18.6897      1.00000
     16     -18.6653      1.00000
     17     -18.6524      1.00000
     18     -18.6464      1.00000
     19     -18.6364      1.00000
     20     -16.5806      1.00000
     21     -16.5638      1.00000
     22     -16.5549      1.00000
     23     -16.4782      1.00000
     24     -16.4770      1.00000
     25     -16.4613      1.00000
     26     -15.5640      1.00000
     27     -15.5631      1.00000
     28     -15.5392      1.00000
     29     -15.5351      1.00000
     30     -15.4696      1.00000
     31     -15.4118      1.00000
     32     -14.2060      1.00000
     33     -14.1880      1.00000
     34     -14.1786      1.00000
     35     -14.1778      1.00000
     36     -14.1345      1.00000
     37     -14.1343      1.00000
     38     -11.8653      1.00000
     39     -11.8645      1.00000
     40     -11.8552      1.00000
     41     -11.7699      1.00000
     42     -11.7614      1.00000
     43     -11.7511      1.00000
     44     -11.7048      1.00000
     45     -11.6894      1.00000
     46     -11.6699      1.00000
     47     -11.6585      1.00000
     48     -11.6508      1.00000
     49     -11.6340      1.00000
     50     -10.6675      1.00000
     51     -10.3578      1.00000
     52     -10.3430      1.00000
     53     -10.3337      1.00000
     54     -10.3296      1.00000
     55     -10.2440      1.00000
     56     -10.2225      1.00000
     57      -9.9189      1.00000
     58      -9.3758      1.00000
     59      -9.3550      1.00000
     60      -9.2948      1.00000
     61      -9.2939      1.00000
     62      -9.2832      1.00000
     63      -9.0810      1.00000
     64      -9.0791      1.00000
     65      -9.0636      1.00000
     66      -9.0284      1.00000
     67      -9.0237      1.00000
     68      -9.0157      1.00000
     69      -8.9990      1.00000
     70      -8.9966      1.00000
     71      -8.9847      1.00000
     72      -8.9816      1.00000
     73      -8.9306      1.00000
     74      -8.9271      1.00000
     75      -8.5093      1.00000
     76      -7.5333      1.00000
     77      -7.4544      1.00000
     78      -7.4138      1.00000
     79      -7.3838      1.00000
     80      -7.3811      1.00000
     81      -7.3248      1.00000
     82      -7.3219      1.00000
     83      -7.3141      1.00000
     84      -7.2622      1.00000
     85      -7.2149      1.00000
     86      -7.1805      1.00000
     87      -7.1735      1.00000
     88      -7.0665      1.00000
     89      -6.5413      1.00000
     90      -6.4447      1.00000
     91      -6.3354      1.00000
     92      -6.3233      1.00000
     93      -6.2720      1.00000
     94      -6.2718      1.00000
     95      -5.9948      1.00000
     96      -5.7846      1.00000
     97      -5.0773      1.00000
     98      -4.9170      1.00000
     99      -4.5486      1.00000
    100      -4.3522      1.00000
    101      -4.2997      1.00000
    102      -4.2996      1.00000
    103      -4.0959      1.00000
    104      -3.9296      1.00000
    105      -3.9050      1.00000
    106      -3.8309      1.00000
    107      -1.7187      0.00000
    108      -1.6235      0.00000
    109      -1.5829      0.00000
    110      -1.5621      0.00000
    111      -1.5130      0.00000
    112      -1.4456      0.00000
    113      -0.5810      0.00000
    114       0.1669      0.00000
    115       0.1830      0.00000
    116       0.2990      0.00000
    117       0.3202      0.00000
    118       0.3789      0.00000
    119       0.4751      0.00000
    120       0.6074      0.00000
    121       1.2605      0.00000
    122       1.2898      0.00000
    123       1.5429      0.00000
    124       1.7492      0.00000
    125       1.8085      0.00000
    126       1.8167      0.00000
    127       1.8168      0.00000
    128       1.9315      0.00000
    129       1.9903      0.00000
    130       1.9937      0.00000
    131       2.0383      0.00000
    132       2.0685      0.00000
    133       2.0761      0.00000
    134       2.0811      0.00000
    135       2.3253      0.00000
    136       2.3306      0.00000
    137       2.6282      0.00000
    138       2.6413      0.00000
    139       2.6601      0.00000
    140       2.7221      0.00000
    141       2.8965      0.00000
    142       3.0015      0.00000
    143       3.0071      0.00000
    144       3.0122      0.00000
    145       3.0127      0.00000
    146       3.0266      0.00000
    147       3.0798      0.00000
    148       3.2439      0.00000
    149       3.4246      0.00000
    150       3.5474      0.00000
    151       3.8034      0.00000
    152       3.9316      0.00000
    153       3.9345      0.00000
    154       3.9503      0.00000
    155       3.9549      0.00000
    156       4.0167      0.00000
    157       4.1802      0.00000
    158       4.2553      0.00000
    159       4.2879      0.00000
    160       4.2918      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3172      1.00000
      2     -21.7584      1.00000
      3     -21.5689      1.00000
      4     -21.5357      1.00000
      5     -21.2058      1.00000
      6     -21.1604      1.00000
      7     -20.9837      1.00000
      8     -20.0990      1.00000
      9     -20.0543      1.00000
     10     -19.5471      1.00000
     11     -19.5229      1.00000
     12     -19.3435      1.00000
     13     -19.0212      1.00000
     14     -18.9941      1.00000
     15     -18.9778      1.00000
     16     -18.9659      1.00000
     17     -18.3026      1.00000
     18     -18.2759      1.00000
     19     -17.9411      1.00000
     20     -16.9989      1.00000
     21     -16.9463      1.00000
     22     -16.9079      1.00000
     23     -16.8503      1.00000
     24     -16.4371      1.00000
     25     -16.3902      1.00000
     26     -15.5733      1.00000
     27     -15.4875      1.00000
     28     -15.1959      1.00000
     29     -15.1305      1.00000
     30     -15.1195      1.00000
     31     -15.0511      1.00000
     32     -15.0200      1.00000
     33     -14.6468      1.00000
     34     -14.5985      1.00000
     35     -13.6691      1.00000
     36     -13.6298      1.00000
     37     -13.1825      1.00000
     38     -12.5934      1.00000
     39     -12.5161      1.00000
     40     -12.4089      1.00000
     41     -12.3754      1.00000
     42     -12.0338      1.00000
     43     -11.9998      1.00000
     44     -11.6456      1.00000
     45     -11.5998      1.00000
     46     -11.2299      1.00000
     47     -11.1381      1.00000
     48     -10.9746      1.00000
     49     -10.9356      1.00000
     50     -10.8694      1.00000
     51     -10.8048      1.00000
     52     -10.5930      1.00000
     53     -10.1279      1.00000
     54     -10.1077      1.00000
     55     -10.0599      1.00000
     56      -9.9799      1.00000
     57      -9.6744      1.00000
     58      -9.6275      1.00000
     59      -9.5590      1.00000
     60      -9.5402      1.00000
     61      -9.4960      1.00000
     62      -9.4576      1.00000
     63      -9.2736      1.00000
     64      -9.2500      1.00000
     65      -9.2087      1.00000
     66      -9.1519      1.00000
     67      -9.0807      1.00000
     68      -9.0618      1.00000
     69      -9.0292      1.00000
     70      -8.8778      1.00000
     71      -8.7882      1.00000
     72      -8.5678      1.00000
     73      -8.5195      1.00000
     74      -8.4340      1.00000
     75      -8.0729      1.00000
     76      -7.8225      1.00000
     77      -7.8038      1.00000
     78      -7.7692      1.00000
     79      -7.7339      1.00000
     80      -7.6470      1.00000
     81      -7.3835      1.00000
     82      -7.3132      1.00000
     83      -7.2528      1.00000
     84      -7.2309      1.00000
     85      -7.1822      1.00000
     86      -6.9952      1.00000
     87      -6.9039      1.00000
     88      -6.7652      1.00000
     89      -6.6713      1.00000
     90      -6.5940      1.00000
     91      -6.5430      1.00000
     92      -6.1413      1.00000
     93      -6.0904      1.00000
     94      -5.9835      1.00000
     95      -5.8775      1.00000
     96      -5.7086      1.00000
     97      -5.1842      1.00000
     98      -4.9727      1.00000
     99      -4.6888      1.00000
    100      -4.6133      1.00000
    101      -4.4556      1.00000
    102      -4.3625      1.00000
    103      -4.1204      1.00000
    104      -3.8695      1.00000
    105      -3.8303      1.00000
    106      -3.8159      1.00000
    107      -1.7774      0.00000
    108      -1.6914      0.00000
    109      -1.4292      0.00000
    110      -1.3139      0.00000
    111      -1.2941      0.00000
    112      -1.2225      0.00000
    113      -0.7648      0.00000
    114      -0.4023      0.00000
    115      -0.1606      0.00000
    116      -0.0398      0.00000
    117       0.6074      0.00000
    118       0.7370      0.00000
    119       0.7855      0.00000
    120       1.0362      0.00000
    121       1.1299      0.00000
    122       1.2360      0.00000
    123       1.2820      0.00000
    124       1.4172      0.00000
    125       1.4815      0.00000
    126       1.6035      0.00000
    127       1.7387      0.00000
    128       1.8393      0.00000
    129       1.9111      0.00000
    130       1.9718      0.00000
    131       2.1079      0.00000
    132       2.2536      0.00000
    133       2.2555      0.00000
    134       2.3092      0.00000
    135       2.4974      0.00000
    136       2.5830      0.00000
    137       2.6490      0.00000
    138       2.7612      0.00000
    139       2.7762      0.00000
    140       2.8041      0.00000
    141       2.8411      0.00000
    142       2.8900      0.00000
    143       2.9451      0.00000
    144       3.0979      0.00000
    145       3.2814      0.00000
    146       3.2866      0.00000
    147       3.3401      0.00000
    148       3.3695      0.00000
    149       3.4740      0.00000
    150       3.5556      0.00000
    151       3.6127      0.00000
    152       3.6787      0.00000
    153       3.7100      0.00000
    154       3.9075      0.00000
    155       3.9309      0.00000
    156       3.9841      0.00000
    157       4.0679      0.00000
    158       4.1945      0.00000
    159       4.2478      0.00000
    160       4.2984      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2114      1.00000
      2     -22.0052      1.00000
      3     -21.6477      1.00000
      4     -21.6101      1.00000
      5     -20.9109      1.00000
      6     -20.8639      1.00000
      7     -20.5432      1.00000
      8     -20.5020      1.00000
      9     -20.4935      1.00000
     10     -19.9590      1.00000
     11     -19.4431      1.00000
     12     -19.4167      1.00000
     13     -19.2438      1.00000
     14     -19.2277      1.00000
     15     -18.3795      1.00000
     16     -18.3337      1.00000
     17     -17.8674      1.00000
     18     -17.8357      1.00000
     19     -17.6918      1.00000
     20     -17.6464      1.00000
     21     -17.3886      1.00000
     22     -17.3471      1.00000
     23     -17.2521      1.00000
     24     -16.4185      1.00000
     25     -16.3995      1.00000
     26     -15.9230      1.00000
     27     -15.3677      1.00000
     28     -15.3044      1.00000
     29     -15.0458      1.00000
     30     -14.9945      1.00000
     31     -14.7738      1.00000
     32     -14.7328      1.00000
     33     -14.2497      1.00000
     34     -14.1981      1.00000
     35     -13.4051      1.00000
     36     -13.3399      1.00000
     37     -13.1168      1.00000
     38     -13.0789      1.00000
     39     -12.9358      1.00000
     40     -12.9134      1.00000
     41     -12.5468      1.00000
     42     -12.5109      1.00000
     43     -12.1480      1.00000
     44     -11.5098      1.00000
     45     -11.4530      1.00000
     46     -11.2442      1.00000
     47     -11.1927      1.00000
     48     -11.0949      1.00000
     49     -10.6716      1.00000
     50     -10.6116      1.00000
     51     -10.5037      1.00000
     52     -10.2801      1.00000
     53     -10.2320      1.00000
     54     -10.1186      1.00000
     55     -10.0947      1.00000
     56     -10.0022      1.00000
     57      -9.7689      1.00000
     58      -9.7342      1.00000
     59      -9.6753      1.00000
     60      -9.6547      1.00000
     61      -9.6194      1.00000
     62      -9.5881      1.00000
     63      -9.3207      1.00000
     64      -9.2833      1.00000
     65      -9.2406      1.00000
     66      -9.0843      1.00000
     67      -8.9461      1.00000
     68      -8.8165      1.00000
     69      -8.7250      1.00000
     70      -8.5876      1.00000
     71      -8.4939      1.00000
     72      -8.3313      1.00000
     73      -8.3045      1.00000
     74      -8.2749      1.00000
     75      -8.2088      1.00000
     76      -8.1732      1.00000
     77      -8.1458      1.00000
     78      -8.1303      1.00000
     79      -8.1004      1.00000
     80      -7.6791      1.00000
     81      -7.3923      1.00000
     82      -7.3283      1.00000
     83      -7.2973      1.00000
     84      -7.2297      1.00000
     85      -7.1506      1.00000
     86      -7.0794      1.00000
     87      -6.9285      1.00000
     88      -6.8797      1.00000
     89      -6.5598      1.00000
     90      -6.4949      1.00000
     91      -6.1432      1.00000
     92      -6.0695      1.00000
     93      -5.9234      1.00000
     94      -5.7446      1.00000
     95      -5.6084      1.00000
     96      -5.4451      1.00000
     97      -5.3161      1.00000
     98      -5.1955      1.00000
     99      -5.1729      1.00000
    100      -5.1119      1.00000
    101      -4.5414      1.00000
    102      -4.4654      1.00000
    103      -4.1503      1.00000
    104      -3.8353      1.00000
    105      -3.7715      1.00000
    106      -3.6975      1.00000
    107      -1.8437      0.00000
    108      -1.7886      0.00000
    109      -1.3055      0.00000
    110      -1.0581      0.00000
    111      -0.9599      0.00000
    112      -0.7429      0.00000
    113      -0.6321      0.00000
    114      -0.5910      0.00000
    115      -0.5405      0.00000
    116      -0.2093      0.00000
    117       0.2170      0.00000
    118       0.2749      0.00000
    119       0.7712      0.00000
    120       0.9546      0.00000
    121       1.1570      0.00000
    122       1.2265      0.00000
    123       1.3237      0.00000
    124       1.4318      0.00000
    125       1.6191      0.00000
    126       1.6572      0.00000
    127       1.7156      0.00000
    128       1.8272      0.00000
    129       1.9307      0.00000
    130       2.0229      0.00000
    131       2.0600      0.00000
    132       2.2797      0.00000
    133       2.3857      0.00000
    134       2.4449      0.00000
    135       2.5534      0.00000
    136       2.6482      0.00000
    137       2.6987      0.00000
    138       2.7657      0.00000
    139       2.8384      0.00000
    140       2.8925      0.00000
    141       3.0498      0.00000
    142       3.1019      0.00000
    143       3.1961      0.00000
    144       3.2467      0.00000
    145       3.3832      0.00000
    146       3.4176      0.00000
    147       3.4898      0.00000
    148       3.5760      0.00000
    149       3.5968      0.00000
    150       3.6340      0.00000
    151       3.6378      0.00000
    152       3.7303      0.00000
    153       3.7458      0.00000
    154       3.7507      0.00000
    155       3.7933      0.00000
    156       3.8977      0.00000
    157       3.9778      0.00000
    158       4.0087      0.00000
    159       4.1803      0.00000
    160       4.2375      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2451      1.00000
      2     -21.8912      1.00000
      3     -21.8205      1.00000
      4     -21.3109      1.00000
      5     -21.2805      1.00000
      6     -20.7659      1.00000
      7     -20.7001      1.00000
      8     -20.5504      1.00000
      9     -20.0104      1.00000
     10     -20.0033      1.00000
     11     -19.6439      1.00000
     12     -19.6196      1.00000
     13     -18.9290      1.00000
     14     -18.9209      1.00000
     15     -18.5813      1.00000
     16     -18.5646      1.00000
     17     -18.3819      1.00000
     18     -17.5976      1.00000
     19     -17.5416      1.00000
     20     -17.5372      1.00000
     21     -17.4949      1.00000
     22     -17.0627      1.00000
     23     -17.0389      1.00000
     24     -16.9468      1.00000
     25     -15.9906      1.00000
     26     -15.7913      1.00000
     27     -15.5379      1.00000
     28     -15.5362      1.00000
     29     -15.1405      1.00000
     30     -14.8275      1.00000
     31     -14.7973      1.00000
     32     -14.5064      1.00000
     33     -14.4592      1.00000
     34     -14.0723      1.00000
     35     -14.0587      1.00000
     36     -13.1468      1.00000
     37     -13.0525      1.00000
     38     -12.9624      1.00000
     39     -12.9449      1.00000
     40     -12.6533      1.00000
     41     -12.6471      1.00000
     42     -12.2781      1.00000
     43     -12.2455      1.00000
     44     -11.5470      1.00000
     45     -11.5206      1.00000
     46     -11.4408      1.00000
     47     -10.8858      1.00000
     48     -10.8252      1.00000
     49     -10.6280      1.00000
     50     -10.5922      1.00000
     51     -10.5027      1.00000
     52     -10.4562      1.00000
     53     -10.4363      1.00000
     54     -10.4279      1.00000
     55     -10.3159      1.00000
     56     -10.0640      1.00000
     57      -9.8312      1.00000
     58      -9.5758      1.00000
     59      -9.5151      1.00000
     60      -9.4708      1.00000
     61      -9.3574      1.00000
     62      -9.3525      1.00000
     63      -9.3291      1.00000
     64      -9.3079      1.00000
     65      -9.2181      1.00000
     66      -9.0645      1.00000
     67      -9.0257      1.00000
     68      -8.9680      1.00000
     69      -8.8352      1.00000
     70      -8.7790      1.00000
     71      -8.7611      1.00000
     72      -8.5169      1.00000
     73      -8.4681      1.00000
     74      -8.2169      1.00000
     75      -8.0755      1.00000
     76      -8.0584      1.00000
     77      -7.8510      1.00000
     78      -7.8383      1.00000
     79      -7.8139      1.00000
     80      -7.6874      1.00000
     81      -7.6516      1.00000
     82      -7.6376      1.00000
     83      -7.3975      1.00000
     84      -7.3154      1.00000
     85      -7.1966      1.00000
     86      -6.8341      1.00000
     87      -6.8098      1.00000
     88      -6.6743      1.00000
     89      -6.5377      1.00000
     90      -6.4465      1.00000
     91      -6.3417      1.00000
     92      -6.2167      1.00000
     93      -6.0484      1.00000
     94      -5.9408      1.00000
     95      -5.5394      1.00000
     96      -5.3904      1.00000
     97      -5.2910      1.00000
     98      -5.2205      1.00000
     99      -5.1115      1.00000
    100      -4.7317      1.00000
    101      -4.6555      1.00000
    102      -4.3507      1.00000
    103      -4.3290      1.00000
    104      -3.9630      1.00000
    105      -3.8273      1.00000
    106      -3.4512      1.00000
    107      -2.1414      0.00000
    108      -1.3561      0.00000
    109      -1.2319      0.00000
    110      -1.1655      0.00000
    111      -1.0829      0.00000
    112      -0.9364      0.00000
    113      -0.8207      0.00000
    114      -0.8080      0.00000
    115      -0.2236      0.00000
    116       0.1610      0.00000
    117       0.2842      0.00000
    118       0.3274      0.00000
    119       0.7468      0.00000
    120       0.9115      0.00000
    121       0.9802      0.00000
    122       1.0999      0.00000
    123       1.2219      0.00000
    124       1.5345      0.00000
    125       1.5721      0.00000
    126       1.7288      0.00000
    127       1.8296      0.00000
    128       1.8521      0.00000
    129       1.9392      0.00000
    130       2.0141      0.00000
    131       2.1475      0.00000
    132       2.2940      0.00000
    133       2.3892      0.00000
    134       2.4681      0.00000
    135       2.4746      0.00000
    136       2.6927      0.00000
    137       2.7103      0.00000
    138       2.7460      0.00000
    139       2.7535      0.00000
    140       2.9001      0.00000
    141       3.0328      0.00000
    142       3.0878      0.00000
    143       3.1559      0.00000
    144       3.2021      0.00000
    145       3.2450      0.00000
    146       3.2789      0.00000
    147       3.3542      0.00000
    148       3.4835      0.00000
    149       3.5439      0.00000
    150       3.7108      0.00000
    151       3.7332      0.00000
    152       3.7380      0.00000
    153       3.8274      0.00000
    154       3.8879      0.00000
    155       3.9512      0.00000
    156       3.9617      0.00000
    157       4.0023      0.00000
    158       4.0301      0.00000
    159       4.0481      0.00000
    160       4.1523      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1390      1.00000
      2     -22.0443      1.00000
      3     -21.8846      1.00000
      4     -21.3332      1.00000
      5     -20.9790      1.00000
      6     -20.9405      1.00000
      7     -20.4311      1.00000
      8     -20.3886      1.00000
      9     -20.2226      1.00000
     10     -20.2010      1.00000
     11     -19.8890      1.00000
     12     -19.8220      1.00000
     13     -18.8170      1.00000
     14     -18.7464      1.00000
     15     -18.2833      1.00000
     16     -18.2300      1.00000
     17     -18.0899      1.00000
     18     -18.0616      1.00000
     19     -17.7566      1.00000
     20     -17.7127      1.00000
     21     -17.2150      1.00000
     22     -17.1632      1.00000
     23     -17.0749      1.00000
     24     -17.0669      1.00000
     25     -16.0717      1.00000
     26     -15.8347      1.00000
     27     -15.7990      1.00000
     28     -15.7498      1.00000
     29     -15.1370      1.00000
     30     -14.5014      1.00000
     31     -14.4398      1.00000
     32     -14.1826      1.00000
     33     -13.9250      1.00000
     34     -13.8914      1.00000
     35     -13.8022      1.00000
     36     -13.7276      1.00000
     37     -13.5404      1.00000
     38     -13.4825      1.00000
     39     -13.3061      1.00000
     40     -12.5880      1.00000
     41     -12.1137      1.00000
     42     -12.0467      1.00000
     43     -12.0048      1.00000
     44     -11.9188      1.00000
     45     -11.6276      1.00000
     46     -11.6042      1.00000
     47     -11.1067      1.00000
     48     -11.0310      1.00000
     49     -10.7411      1.00000
     50     -10.6488      1.00000
     51     -10.5192      1.00000
     52     -10.1723      1.00000
     53     -10.1175      1.00000
     54     -10.0938      1.00000
     55      -9.9739      1.00000
     56      -9.9480      1.00000
     57      -9.9196      1.00000
     58      -9.7703      1.00000
     59      -9.7542      1.00000
     60      -9.7206      1.00000
     61      -9.6549      1.00000
     62      -9.4260      1.00000
     63      -9.3524      1.00000
     64      -9.0846      1.00000
     65      -9.0381      1.00000
     66      -8.9727      1.00000
     67      -8.8524      1.00000
     68      -8.8061      1.00000
     69      -8.6847      1.00000
     70      -8.6222      1.00000
     71      -8.5598      1.00000
     72      -8.4664      1.00000
     73      -8.4530      1.00000
     74      -8.4303      1.00000
     75      -8.3132      1.00000
     76      -8.1865      1.00000
     77      -8.1119      1.00000
     78      -7.9687      1.00000
     79      -7.9130      1.00000
     80      -7.8893      1.00000
     81      -7.6285      1.00000
     82      -7.5339      1.00000
     83      -7.4321      1.00000
     84      -7.2540      1.00000
     85      -6.9964      1.00000
     86      -6.8997      1.00000
     87      -6.8497      1.00000
     88      -6.5883      1.00000
     89      -6.4523      1.00000
     90      -6.3624      1.00000
     91      -6.3384      1.00000
     92      -6.0497      1.00000
     93      -5.8721      1.00000
     94      -5.7635      1.00000
     95      -5.6920      1.00000
     96      -5.4913      1.00000
     97      -5.3328      1.00000
     98      -5.2004      1.00000
     99      -5.1340      1.00000
    100      -5.1170      1.00000
    101      -4.7295      1.00000
    102      -4.4369      1.00000
    103      -4.2673      1.00000
    104      -3.9962      1.00000
    105      -3.8264      1.00000
    106      -3.1823      1.00000
    107      -2.4306      0.00000
    108      -1.4059      0.00000
    109      -1.2001      0.00000
    110      -1.1813      0.00000
    111      -1.0550      0.00000
    112      -0.5694      0.00000
    113      -0.4878      0.00000
    114      -0.4213      0.00000
    115      -0.2682      0.00000
    116      -0.2078      0.00000
    117       0.0256      0.00000
    118       0.1081      0.00000
    119       0.5651      0.00000
    120       0.7002      0.00000
    121       0.8782      0.00000
    122       0.9809      0.00000
    123       1.1199      0.00000
    124       1.5053      0.00000
    125       1.6807      0.00000
    126       1.8207      0.00000
    127       1.8913      0.00000
    128       2.0678      0.00000
    129       2.1170      0.00000
    130       2.1594      0.00000
    131       2.2194      0.00000
    132       2.3274      0.00000
    133       2.3558      0.00000
    134       2.4867      0.00000
    135       2.5665      0.00000
    136       2.6832      0.00000
    137       2.8797      0.00000
    138       2.9211      0.00000
    139       2.9684      0.00000
    140       2.9954      0.00000
    141       3.0481      0.00000
    142       3.1348      0.00000
    143       3.1629      0.00000
    144       3.2450      0.00000
    145       3.2968      0.00000
    146       3.3301      0.00000
    147       3.3609      0.00000
    148       3.3832      0.00000
    149       3.4029      0.00000
    150       3.5024      0.00000
    151       3.5485      0.00000
    152       3.6080      0.00000
    153       3.6425      0.00000
    154       3.6890      0.00000
    155       3.7195      0.00000
    156       3.9214      0.00000
    157       3.9335      0.00000
    158       4.0733      0.00000
    159       4.1069      0.00000
    160       4.2087      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     -21.8193      1.00000
      4     -21.3131      1.00000
      5     -21.2744      1.00000
      6     -20.7701      1.00000
      7     -20.7017      1.00000
      8     -20.5542      1.00000
      9     -20.0188      1.00000
     10     -19.9864      1.00000
     11     -19.6497      1.00000
     12     -19.6180      1.00000
     13     -18.9416      1.00000
     14     -18.9054      1.00000
     15     -18.5772      1.00000
     16     -18.5396      1.00000
     17     -18.3959      1.00000
     18     -17.6008      1.00000
     19     -17.5945      1.00000
     20     -17.5419      1.00000
     21     -17.5131      1.00000
     22     -17.0750      1.00000
     23     -17.0208      1.00000
     24     -16.8715      1.00000
     25     -15.9153      1.00000
     26     -15.8863      1.00000
     27     -15.5367      1.00000
     28     -15.4762      1.00000
     29     -15.2502      1.00000
     30     -14.8021      1.00000
     31     -14.7358      1.00000
     32     -14.5396      1.00000
     33     -14.4432      1.00000
     34     -14.1143      1.00000
     35     -14.1014      1.00000
     36     -13.0748      1.00000
     37     -13.0170      1.00000
     38     -12.9825      1.00000
     39     -12.9203      1.00000
     40     -12.6639      1.00000
     41     -12.6087      1.00000
     42     -12.2885      1.00000
     43     -12.2226      1.00000
     44     -11.6065      1.00000
     45     -11.5589      1.00000
     46     -11.5322      1.00000
     47     -10.8938      1.00000
     48     -10.8728      1.00000
     49     -10.6768      1.00000
     50     -10.5295      1.00000
     51     -10.4904      1.00000
     52     -10.4609      1.00000
     53     -10.3755      1.00000
     54     -10.3320      1.00000
     55     -10.2738      1.00000
     56     -10.0583      1.00000
     57      -9.8303      1.00000
     58      -9.5481      1.00000
     59      -9.4673      1.00000
     60      -9.4366      1.00000
     61      -9.3789      1.00000
     62      -9.3268      1.00000
     63      -9.3115      1.00000
     64      -9.2540      1.00000
     65      -9.2055      1.00000
     66      -9.1466      1.00000
     67      -9.0954      1.00000
     68      -9.0708      1.00000
     69      -8.8501      1.00000
     70      -8.8304      1.00000
     71      -8.7563      1.00000
     72      -8.5346      1.00000
     73      -8.4984      1.00000
     74      -8.2356      1.00000
     75      -8.1689      1.00000
     76      -8.0849      1.00000
     77      -7.7930      1.00000
     78      -7.7588      1.00000
     79      -7.7214      1.00000
     80      -7.6925      1.00000
     81      -7.6703      1.00000
     82      -7.5634      1.00000
     83      -7.3894      1.00000
     84      -7.3546      1.00000
     85      -7.2147      1.00000
     86      -6.9031      1.00000
     87      -6.7579      1.00000
     88      -6.6534      1.00000
     89      -6.5099      1.00000
     90      -6.3375      1.00000
     91      -6.2539      1.00000
     92      -6.1827      1.00000
     93      -6.1334      1.00000
     94      -6.0349      1.00000
     95      -5.6738      1.00000
     96      -5.4888      1.00000
     97      -5.3281      1.00000
     98      -5.1683      1.00000
     99      -5.0143      1.00000
    100      -4.7549      1.00000
    101      -4.6550      1.00000
    102      -4.3454      1.00000
    103      -4.1982      1.00000
    104      -4.0096      1.00000
    105      -3.8261      1.00000
    106      -3.4478      1.00000
    107      -2.2035      0.00000
    108      -1.4149      0.00000
    109      -1.2417      0.00000
    110      -1.1856      0.00000
    111      -1.0424      0.00000
    112      -0.8942      0.00000
    113      -0.7876      0.00000
    114      -0.6966      0.00000
    115      -0.3685      0.00000
    116       0.2344      0.00000
    117       0.2541      0.00000
    118       0.3754      0.00000
    119       0.7086      0.00000
    120       0.8767      0.00000
    121       0.9445      0.00000
    122       1.1361      0.00000
    123       1.2484      0.00000
    124       1.4674      0.00000
    125       1.5755      0.00000
    126       1.7793      0.00000
    127       1.8562      0.00000
    128       1.8691      0.00000
    129       1.9938      0.00000
    130       2.0302      0.00000
    131       2.1837      0.00000
    132       2.2307      0.00000
    133       2.3826      0.00000
    134       2.4129      0.00000
    135       2.5124      0.00000
    136       2.6303      0.00000
    137       2.6869      0.00000
    138       2.7327      0.00000
    139       2.7762      0.00000
    140       2.8747      0.00000
    141       2.9832      0.00000
    142       3.0843      0.00000
    143       3.1570      0.00000
    144       3.2008      0.00000
    145       3.2487      0.00000
    146       3.2869      0.00000
    147       3.3235      0.00000
    148       3.4853      0.00000
    149       3.5224      0.00000
    150       3.7003      0.00000
    151       3.7331      0.00000
    152       3.7801      0.00000
    153       3.8640      0.00000
    154       3.8779      0.00000
    155       3.9037      0.00000
    156       3.9505      0.00000
    157       4.0063      0.00000
    158       4.0343      0.00000
    159       4.0491      0.00000
    160       4.1514      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3172      1.00000
      2     -21.7600      1.00000
      3     -21.5650      1.00000
      4     -21.5368      1.00000
      5     -21.2026      1.00000
      6     -21.1630      1.00000
      7     -20.9861      1.00000
      8     -20.0987      1.00000
      9     -20.0594      1.00000
     10     -19.5376      1.00000
     11     -19.5189      1.00000
     12     -19.3503      1.00000
     13     -19.0274      1.00000
     14     -18.9843      1.00000
     15     -18.9738      1.00000
     16     -18.9720      1.00000
     17     -18.2883      1.00000
     18     -18.2760      1.00000
     19     -17.9648      1.00000
     20     -17.0216      1.00000
     21     -16.9850      1.00000
     22     -16.8709      1.00000
     23     -16.8550      1.00000
     24     -16.3842      1.00000
     25     -16.3598      1.00000
     26     -15.5623      1.00000
     27     -15.5584      1.00000
     28     -15.2228      1.00000
     29     -15.2193      1.00000
     30     -15.0956      1.00000
     31     -14.9859      1.00000
     32     -14.9486      1.00000
     33     -14.6439      1.00000
     34     -14.6361      1.00000
     35     -13.6804      1.00000
     36     -13.6693      1.00000
     37     -13.1426      1.00000
     38     -12.5341      1.00000
     39     -12.4719      1.00000
     40     -12.3618      1.00000
     41     -12.3602      1.00000
     42     -12.0929      1.00000
     43     -12.0877      1.00000
     44     -11.6803      1.00000
     45     -11.6400      1.00000
     46     -11.1787      1.00000
     47     -11.1298      1.00000
     48     -10.9444      1.00000
     49     -10.9306      1.00000
     50     -10.8991      1.00000
     51     -10.8668      1.00000
     52     -10.6214      1.00000
     53     -10.1157      1.00000
     54     -10.0212      1.00000
     55      -9.9757      1.00000
     56      -9.9241      1.00000
     57      -9.6562      1.00000
     58      -9.6545      1.00000
     59      -9.6080      1.00000
     60      -9.5487      1.00000
     61      -9.5126      1.00000
     62      -9.4791      1.00000
     63      -9.2679      1.00000
     64      -9.2229      1.00000
     65      -9.2032      1.00000
     66      -9.1977      1.00000
     67      -9.0587      1.00000
     68      -9.0268      1.00000
     69      -9.0223      1.00000
     70      -8.8829      1.00000
     71      -8.8398      1.00000
     72      -8.5897      1.00000
     73      -8.5762      1.00000
     74      -8.5237      1.00000
     75      -7.9662      1.00000
     76      -7.8692      1.00000
     77      -7.8081      1.00000
     78      -7.7893      1.00000
     79      -7.6883      1.00000
     80      -7.6704      1.00000
     81      -7.4120      1.00000
     82      -7.2359      1.00000
     83      -7.1895      1.00000
     84      -7.1719      1.00000
     85      -7.1098      1.00000
     86      -7.0592      1.00000
     87      -7.0086      1.00000
     88      -6.7241      1.00000
     89      -6.6574      1.00000
     90      -6.6149      1.00000
     91      -6.5665      1.00000
     92      -6.0844      1.00000
     93      -6.0391      1.00000
     94      -5.9460      1.00000
     95      -5.9401      1.00000
     96      -5.8404      1.00000
     97      -5.1967      1.00000
     98      -4.8974      1.00000
     99      -4.7840      1.00000
    100      -4.6495      1.00000
    101      -4.4996      1.00000
    102      -4.1153      1.00000
    103      -4.1095      1.00000
    104      -3.8972      1.00000
    105      -3.8915      1.00000
    106      -3.8240      1.00000
    107      -1.8052      0.00000
    108      -1.7485      0.00000
    109      -1.4399      0.00000
    110      -1.3484      0.00000
    111      -1.2512      0.00000
    112      -1.1607      0.00000
    113      -0.6262      0.00000
    114      -0.5275      0.00000
    115      -0.2149      0.00000
    116       0.0260      0.00000
    117       0.5879      0.00000
    118       0.7180      0.00000
    119       0.8213      0.00000
    120       0.9462      0.00000
    121       1.1978      0.00000
    122       1.2246      0.00000
    123       1.2781      0.00000
    124       1.4426      0.00000
    125       1.6025      0.00000
    126       1.6526      0.00000
    127       1.7164      0.00000
    128       1.7733      0.00000
    129       1.8807      0.00000
    130       1.8957      0.00000
    131       2.1476      0.00000
    132       2.1827      0.00000
    133       2.2627      0.00000
    134       2.3124      0.00000
    135       2.5578      0.00000
    136       2.5770      0.00000
    137       2.5841      0.00000
    138       2.7657      0.00000
    139       2.7902      0.00000
    140       2.8035      0.00000
    141       2.9098      0.00000
    142       2.9224      0.00000
    143       3.0234      0.00000
    144       3.0545      0.00000
    145       3.0938      0.00000
    146       3.2870      0.00000
    147       3.3225      0.00000
    148       3.3765      0.00000
    149       3.4824      0.00000
    150       3.5640      0.00000
    151       3.6423      0.00000
    152       3.6722      0.00000
    153       3.6780      0.00000
    154       3.8914      0.00000
    155       3.9691      0.00000
    156       4.0188      0.00000
    157       4.0746      0.00000
    158       4.2422      0.00000
    159       4.2525      0.00000
    160       4.2679      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1387      1.00000
      2     -22.0461      1.00000
      3     -21.8830      1.00000
      4     -21.3313      1.00000
      5     -20.9756      1.00000
      6     -20.9459      1.00000
      7     -20.4260      1.00000
      8     -20.3937      1.00000
      9     -20.2179      1.00000
     10     -20.2167      1.00000
     11     -19.8816      1.00000
     12     -19.8177      1.00000
     13     -18.8080      1.00000
     14     -18.7372      1.00000
     15     -18.2760      1.00000
     16     -18.2590      1.00000
     17     -18.0769      1.00000
     18     -18.0704      1.00000
     19     -17.7554      1.00000
     20     -17.7364      1.00000
     21     -17.1744      1.00000
     22     -17.1554      1.00000
     23     -17.1424      1.00000
     24     -17.0477      1.00000
     25     -15.9813      1.00000
     26     -15.8320      1.00000
     27     -15.8223      1.00000
     28     -15.7308      1.00000
     29     -15.2230      1.00000
     30     -14.4897      1.00000
     31     -14.4679      1.00000
     32     -14.2710      1.00000
     33     -13.8836      1.00000
     34     -13.8501      1.00000
     35     -13.7193      1.00000
     36     -13.6960      1.00000
     37     -13.5669      1.00000
     38     -13.5371      1.00000
     39     -13.2795      1.00000
     40     -12.5230      1.00000
     41     -12.1329      1.00000
     42     -12.1048      1.00000
     43     -12.0311      1.00000
     44     -11.9833      1.00000
     45     -11.5733      1.00000
     46     -11.5634      1.00000
     47     -11.0842      1.00000
     48     -11.0622      1.00000
     49     -10.7598      1.00000
     50     -10.6927      1.00000
     51     -10.5620      1.00000
     52     -10.1322      1.00000
     53     -10.1287      1.00000
     54     -10.1000      1.00000
     55      -9.9518      1.00000
     56      -9.9042      1.00000
     57      -9.8936      1.00000
     58      -9.7344      1.00000
     59      -9.7157      1.00000
     60      -9.6752      1.00000
     61      -9.6677      1.00000
     62      -9.4127      1.00000
     63      -9.3948      1.00000
     64      -9.0628      1.00000
     65      -8.9884      1.00000
     66      -8.9540      1.00000
     67      -8.9436      1.00000
     68      -8.8208      1.00000
     69      -8.6491      1.00000
     70      -8.6307      1.00000
     71      -8.5519      1.00000
     72      -8.5388      1.00000
     73      -8.5207      1.00000
     74      -8.4242      1.00000
     75      -8.4102      1.00000
     76      -8.2105      1.00000
     77      -8.1030      1.00000
     78      -8.0214      1.00000
     79      -7.9105      1.00000
     80      -7.7583      1.00000
     81      -7.6074      1.00000
     82      -7.5693      1.00000
     83      -7.5017      1.00000
     84      -7.2500      1.00000
     85      -6.8636      1.00000
     86      -6.8071      1.00000
     87      -6.7090      1.00000
     88      -6.5326      1.00000
     89      -6.4992      1.00000
     90      -6.4391      1.00000
     91      -6.3371      1.00000
     92      -6.2170      1.00000
     93      -5.8735      1.00000
     94      -5.7393      1.00000
     95      -5.7071      1.00000
     96      -5.5541      1.00000
     97      -5.3233      1.00000
     98      -5.2309      1.00000
     99      -5.1662      1.00000
    100      -5.1063      1.00000
    101      -4.6666      1.00000
    102      -4.3246      1.00000
    103      -4.2916      1.00000
    104      -4.0272      1.00000
    105      -3.8272      1.00000
    106      -3.1710      1.00000
    107      -2.4704      0.00000
    108      -1.3708      0.00000
    109      -1.2089      0.00000
    110      -1.1572      0.00000
    111      -1.1536      0.00000
    112      -0.5866      0.00000
    113      -0.4883      0.00000
    114      -0.3947      0.00000
    115      -0.2872      0.00000
    116      -0.0639      0.00000
    117       0.0253      0.00000
    118       0.1121      0.00000
    119       0.5437      0.00000
    120       0.6699      0.00000
    121       0.8112      0.00000
    122       0.9539      0.00000
    123       1.1961      0.00000
    124       1.5234      0.00000
    125       1.6416      0.00000
    126       1.8758      0.00000
    127       2.0006      0.00000
    128       2.0596      0.00000
    129       2.0767      0.00000
    130       2.1257      0.00000
    131       2.2187      0.00000
    132       2.2605      0.00000
    133       2.3162      0.00000
    134       2.4260      0.00000
    135       2.6124      0.00000
    136       2.7053      0.00000
    137       2.8426      0.00000
    138       2.9388      0.00000
    139       2.9616      0.00000
    140       3.0067      0.00000
    141       3.0578      0.00000
    142       3.1314      0.00000
    143       3.1706      0.00000
    144       3.2274      0.00000
    145       3.3078      0.00000
    146       3.3229      0.00000
    147       3.3551      0.00000
    148       3.3761      0.00000
    149       3.4282      0.00000
    150       3.4292      0.00000
    151       3.5459      0.00000
    152       3.5967      0.00000
    153       3.6471      0.00000
    154       3.6867      0.00000
    155       3.8625      0.00000
    156       3.9133      0.00000
    157       3.9457      0.00000
    158       3.9699      0.00000
    159       4.1598      0.00000
    160       4.1920      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2114      1.00000
      2     -22.0066      1.00000
      3     -21.6433      1.00000
      4     -21.6112      1.00000
      5     -20.9082      1.00000
      6     -20.8669      1.00000
      7     -20.5389      1.00000
      8     -20.5079      1.00000
      9     -20.4985      1.00000
     10     -19.9658      1.00000
     11     -19.4322      1.00000
     12     -19.4121      1.00000
     13     -19.2322      1.00000
     14     -19.2258      1.00000
     15     -18.3827      1.00000
     16     -18.3475      1.00000
     17     -17.8507      1.00000
     18     -17.8358      1.00000
     19     -17.7033      1.00000
     20     -17.6677      1.00000
     21     -17.3623      1.00000
     22     -17.3488      1.00000
     23     -17.3108      1.00000
     24     -16.3840      1.00000
     25     -16.3592      1.00000
     26     -15.8459      1.00000
     27     -15.3566      1.00000
     28     -15.3506      1.00000
     29     -15.0419      1.00000
     30     -15.0309      1.00000
     31     -14.8390      1.00000
     32     -14.8348      1.00000
     33     -14.1981      1.00000
     34     -14.1464      1.00000
     35     -13.3491      1.00000
     36     -13.2937      1.00000
     37     -13.1356      1.00000
     38     -13.1266      1.00000
     39     -12.8808      1.00000
     40     -12.8741      1.00000
     41     -12.5819      1.00000
     42     -12.5733      1.00000
     43     -12.1026      1.00000
     44     -11.5428      1.00000
     45     -11.4982      1.00000
     46     -11.2785      1.00000
     47     -11.2469      1.00000
     48     -11.0518      1.00000
     49     -10.6976      1.00000
     50     -10.5818      1.00000
     51     -10.5005      1.00000
     52     -10.2410      1.00000
     53     -10.2379      1.00000
     54     -10.1204      1.00000
     55     -10.0539      1.00000
     56     -10.0355      1.00000
     57      -9.7796      1.00000
     58      -9.6618      1.00000
     59      -9.6554      1.00000
     60      -9.6126      1.00000
     61      -9.5998      1.00000
     62      -9.5766      1.00000
     63      -9.2769      1.00000
     64      -9.2708      1.00000
     65      -9.2542      1.00000
     66      -9.0651      1.00000
     67      -8.9081      1.00000
     68      -8.8972      1.00000
     69      -8.7178      1.00000
     70      -8.5857      1.00000
     71      -8.5624      1.00000
     72      -8.3668      1.00000
     73      -8.3308      1.00000
     74      -8.2808      1.00000
     75      -8.2785      1.00000
     76      -8.2366      1.00000
     77      -8.2229      1.00000
     78      -8.1962      1.00000
     79      -8.1187      1.00000
     80      -7.7108      1.00000
     81      -7.4084      1.00000
     82      -7.2571      1.00000
     83      -7.1709      1.00000
     84      -7.0954      1.00000
     85      -7.0730      1.00000
     86      -6.9844      1.00000
     87      -6.8822      1.00000
     88      -6.8283      1.00000
     89      -6.6283      1.00000
     90      -6.4040      1.00000
     91      -6.2998      1.00000
     92      -6.2361      1.00000
     93      -5.9196      1.00000
     94      -5.6615      1.00000
     95      -5.6284      1.00000
     96      -5.5593      1.00000
     97      -5.3006      1.00000
     98      -5.2588      1.00000
     99      -5.1668      1.00000
    100      -5.1203      1.00000
    101      -4.5903      1.00000
    102      -4.2589      1.00000
    103      -4.0413      1.00000
    104      -3.8346      1.00000
    105      -3.8314      1.00000
    106      -3.7607      1.00000
    107      -1.8723      0.00000
    108      -1.8409      0.00000
    109      -1.2389      0.00000
    110      -1.1034      0.00000
    111      -0.9915      0.00000
    112      -0.7561      0.00000
    113      -0.6436      0.00000
    114      -0.5720      0.00000
    115      -0.4948      0.00000
    116      -0.1561      0.00000
    117       0.2147      0.00000
    118       0.3282      0.00000
    119       0.7108      0.00000
    120       0.9572      0.00000
    121       1.1398      0.00000
    122       1.2443      0.00000
    123       1.3628      0.00000
    124       1.5106      0.00000
    125       1.5999      0.00000
    126       1.6065      0.00000
    127       1.6728      0.00000
    128       1.7799      0.00000
    129       1.8678      0.00000
    130       2.0355      0.00000
    131       2.1467      0.00000
    132       2.2846      0.00000
    133       2.4096      0.00000
    134       2.4354      0.00000
    135       2.5763      0.00000
    136       2.6398      0.00000
    137       2.6873      0.00000
    138       2.7003      0.00000
    139       2.7680      0.00000
    140       2.9096      0.00000
    141       3.0520      0.00000
    142       3.0710      0.00000
    143       3.1942      0.00000
    144       3.2789      0.00000
    145       3.4072      0.00000
    146       3.4132      0.00000
    147       3.4608      0.00000
    148       3.5687      0.00000
    149       3.5854      0.00000
    150       3.6312      0.00000
    151       3.6679      0.00000
    152       3.7127      0.00000
    153       3.7349      0.00000
    154       3.7424      0.00000
    155       3.8333      0.00000
    156       3.9049      0.00000
    157       3.9089      0.00000
    158       3.9652      0.00000
    159       4.1853      0.00000
    160       4.2367      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0406   -7.2559    3.9843   -1.1336   -0.1861   17.1651    0.4858   -0.8120    0.7706   -0.4774
x    -3.1199   -0.0257   -0.0216   -0.0251    0.0907   -3.0371    0.0298   -0.0243    0.0084    0.0018
x    -0.0878   -0.0026    0.0034   -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   204.0406    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   -0.0037    0.0000    0.0003    0.0006    0.0027   -0.1141   -0.0321    0.0623    0.0183
y     0.0232   -3.2516   -0.1764    0.1727   -2.4201   -0.6658
z   204.0406    1.7498    0.2955    0.0894    0.0008    0.0818   -0.0017    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0985    0.0006   -0.0010   -0.0001   -0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0012   -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  -16.5791
z     0.1425    0.2374   -0.0295    0.0582   -0.1101    0.0006
 total charge-density along one line
x   212.0000  -10.0865    5.9314   -1.9426   -0.4216   19.0723   -0.6624    0.2088    0.0671   -0.1082
x    -2.6901   -0.0094    0.0006   -0.0436    0.0961   -2.3351    0.0473   -0.0344    0.0118    0.0024
x    -0.0790   -0.0051    0.0082   -0.0080    0.0054   -0.0391    0.0000   -0.0001    0.0003   -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  -10.0865    5.9314   -1.9426   -0.4216   19.0723   -0.6624    0.2088    0.0671   -0.1082
y    -2.6901   -0.0094    0.0006   -0.0436    0.0961   -2.3351    0.0473   -0.0344    0.0118    0.0024
y    -0.0790   -0.0051    0.0082   -0.0080    0.0054   -0.0391    0.0000   -0.0001    0.0003   -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 -205.3369  188.9429 -170.2028  154.0095 -140.2168  126.2618 -110.7915   94.5554  -78.9271
z    64.5985  -51.6922   40.4575  -31.3725   24.6094  -19.6739   15.7088  -12.1167    8.8528   -6.1809
z     4.2487   -2.9191    1.9326   -1.1361    0.5305   -0.1463   -0.0664    0.2155   -0.3674    0.5006
z    -0.5566    0.5197   -0.4364    0.3673   -0.3340    0.3152   -0.2839    0.2367   -0.1899    0.1565
z    -0.1345    0.1144   -0.0921    0.0716   -0.0576    0.0499   -0.0440    0.0370   -0.0296    0.0239
z    -0.0207    0.0185   -0.0159    0.0129   -0.0103    0.0084   -0.0068    0.0053   -0.0038    0.0028
z    -0.0020    0.0012   -0.0004   -0.0002    0.0004   -0.0004    0.0004   -0.0006    0.0007   -0.0007
z     0.0004   -0.0002    0.0001    0.0000    0.0000    0.0001   -0.0002    0.0003   -0.0003    0.0003
z    -0.0003    0.0002   -0.0002    0.0001   -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0000   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.939   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 -11.245   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 -10.936   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 -11.245   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 -10.936   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   0.021   0.000   0.057   0.000  -0.014  -0.025   0.026   0.000  -0.001   0.000   0.000
  0.000   1.588   0.000  -0.146   0.000   0.000   0.596   0.000   0.260   0.000   0.000   0.000   0.160   0.000   0.106  -0.035
 -0.026   0.000   1.789   0.000   0.018   0.043   0.000   0.359   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   0.260   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  -0.016   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   0.596   0.000   0.260   0.000   0.000   0.330   0.000   0.106   0.000   0.000   0.000   0.057   0.000   0.066  -0.011
  0.057   0.000   0.359   0.000  -0.035   0.101   0.000   0.569   0.000  -0.058   0.705  -0.294   0.000   0.091   0.000   0.000
  0.000   0.260   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  -0.026   0.000   0.003  -0.024   0.000  -0.058   0.000   0.036  -0.108   0.030   0.000  -0.068   0.000   0.000
 -0.025   0.000  -0.232   0.000   0.010   0.191   0.000   0.705   0.000  -0.108   1.353  -0.434   0.000   0.267   0.000   0.000
  0.026   0.000  -0.044   0.000  -0.016  -0.052   0.000  -0.294   0.000   0.030  -0.434   0.193   0.000  -0.035   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   0.044   0.000   0.012  -0.004
 -0.001   0.000   0.096   0.000   0.003   0.116   0.000   0.091   0.000  -0.068   0.267  -0.035   0.000   0.311   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   0.278   8.029   8.946
  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   1.783   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   2.640
 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   1.776   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   2.646
 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   1.783   0.000   2.646
------------------------------------------------
tot       44.834  89.428   8.029 142.290
 


 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  114.66: CPU time   57.99
    FORLOC:  VPU time    1.26: CPU time    1.25
    FORNL :  VPU time  438.93: CPU time  220.15
    STRESS:  VPU time 1341.66: CPU time  674.92
    FORCOR:  VPU time    8.72: CPU time    8.72
    FORHAR:  VPU time    2.29: CPU time    2.29
    MIXING:  VPU time    0.19: CPU time    0.20
 d Force =-0.4182215E-01[-0.107E+00, 0.235E-01]  d Energy =-0.4877676E-01 0.695E-02
 d Force = 0.2302868E+01[ 0.199E+01, 0.261E+01]  d Ewald  = 0.1620279E+02-0.139E+02


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.592253 eV

  energy  without entropy=     -471.592253  energy(sigma->0) =     -471.592253
 

  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    40687.07  40750.91 -47409.43     55.28      0.00      0.00
  Hartree  40174.29  40184.41 -39430.18      8.77      0.00      0.00
  E(xc)     -779.80   -779.46   -807.25      0.30      0.00      0.00
  Local   -83159.23 -83217.83  84157.18    -50.75      0.00      0.00
  n-local   -215.67   -215.65   -203.79     -0.23      0.00      0.00
  augment     22.14     20.50     17.35     -1.42      0.00      0.00
  Kinetic   3170.42   3169.40   3582.06     -9.08      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -3.18      2.56     -0.13      4.98      0.00      0.00
  in kB       -1.93      1.56     -0.08      3.02      0.00      0.00
  external pressure =       -0.15 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.356982428 -0.012968583  0.000000000     0.080975090  0.046864438  0.000000000
    -6.189728979 10.694972217  0.000000000     0.000098189  0.093558706  0.000000000
     0.000000000  0.000000000 19.973618318     0.000000000  0.000000000  0.050066041

  length of vectors
    12.356989233 12.356988936 19.973618318     0.093558756  0.093558758  0.050066041


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.925E-05 -.428E-04 -.960E+03   0.429E-05 -.274E-04 0.968E+03   0.430E-21 0.605E-23 -.784E+01   0.239E-07 -.144E-07 -.958E-02
   -.175E+02 -.304E+02 -.136E+03   0.184E+02 0.319E+02 0.139E+03   -.830E+00 -.144E+01 -.260E+01   0.222E-03 0.384E-03 0.470E-03
   0.175E+02 0.304E+02 -.136E+03   -.184E+02 -.319E+02 0.139E+03   0.830E+00 0.144E+01 -.260E+01   -.222E-03 -.384E-03 0.470E-03
   -.344E+01 0.198E+01 0.178E+02   0.371E+01 -.214E+01 -.178E+02   0.130E+00 -.753E-01 -.291E-02   -.101E-02 0.578E-03 -.112E-02
   0.427E+01 0.780E+01 0.203E+02   -.401E+01 -.800E+01 -.203E+02   0.144E+00 -.506E-01 -.199E-01   -.295E-02 0.153E-02 -.144E-02
   0.979E+01 0.575E+01 0.186E+02   -.956E+01 -.591E+01 -.185E+02   0.156E+00 -.672E-01 -.555E-01   -.331E-02 0.428E-02 -.676E-03
   0.306E+01 -.231E+00 0.162E+02   -.283E+01 0.110E+00 -.162E+02   0.154E+00 -.880E-01 -.289E-02   -.133E-02 0.138E-02 0.479E-04
   -.442E+01 -.147E+01 0.154E+02   0.469E+01 0.133E+01 -.154E+02   0.123E+00 -.929E-01 0.327E-02   -.361E-03 -.108E-02 -.323E-03
   -.938E+00 0.456E+01 0.154E+02   0.119E+01 -.473E+01 -.154E+02   0.142E+00 -.603E-01 0.327E-02   0.748E-03 0.847E-03 -.327E-03
   0.123E+01 0.189E+02 0.250E+02   -.976E+00 -.191E+02 -.250E+02   0.150E+00 0.398E-01 -.705E-02   0.797E-03 0.429E-03 -.143E-02
   0.201E+02 0.235E+02 0.397E+02   -.200E+02 -.239E+02 -.397E+02   0.247E+00 0.147E+00 -.149E-01   -.315E-02 0.441E-02 -.174E-02
   0.250E+02 -.364E+01 0.263E+02   -.249E+02 0.360E+01 -.263E+02   0.376E+00 -.200E+00 -.528E-01   -.266E-02 0.379E-02 -.273E-03
   0.754E+01 -.435E+01 0.154E+02   -.729E+01 0.421E+01 -.154E+02   0.158E+00 -.915E-01 0.702E-02   -.655E-04 0.328E-04 0.225E-03
   0.173E+01 -.254E+01 0.162E+02   -.151E+01 0.239E+01 -.162E+02   0.153E+00 -.895E-01 -.289E-02   -.187E-02 0.458E-03 0.401E-04
   -.745E+01 0.140E+02 0.199E+02   0.770E+01 -.142E+02 -.199E+02   0.124E+00 -.303E-02 -.106E-01   -.961E-04 0.290E-02 -.193E-03
   -.139E+02 0.343E+02 0.455E+02   0.142E+02 -.352E+02 -.458E+02   0.448E-01 0.605E+00 0.346E+00   0.296E-02 0.502E-04 -.125E-02
   0.254E+02 -.147E+02 0.685E+02   -.261E+02 0.151E+02 -.706E+02   0.110E+01 -.633E+00 0.208E+01   -.486E-02 0.280E-02 -.238E-02
   0.156E+02 -.198E+02 0.263E+02   -.156E+02 0.198E+02 -.263E+02   0.362E+00 -.226E+00 -.528E-01   -.461E-02 0.403E-03 -.277E-03
   -.837E-01 -.114E+02 0.186E+02   0.336E+00 0.112E+02 -.185E+02   0.136E+00 -.101E+00 -.555E-01   -.536E-02 0.727E-03 -.681E-03
   -.525E+01 0.246E+01 0.145E+02   0.551E+01 -.262E+01 -.144E+02   0.127E+00 -.784E-01 -.432E-01   -.415E-02 0.224E-02 0.943E-04
   -.197E+02 0.114E+02 0.205E+02   0.200E+02 -.116E+02 -.204E+02   0.752E-01 -.434E-01 -.133E+00   -.283E-02 0.163E-02 0.246E-03
   -.367E+02 -.515E+01 0.455E+02   0.376E+02 0.525E+01 -.458E+02   -.501E+00 -.341E+00 0.346E+00   0.144E-02 -.259E-02 -.125E-02
   -.103E+02 -.292E+02 0.397E+02   0.107E+02 0.293E+02 -.397E+02   -.399E-02 -.287E+00 -.149E-01   -.539E-02 0.523E-03 -.174E-02
   -.462E+01 -.760E+01 0.203E+02   0.492E+01 0.747E+01 -.203E+02   0.116E+00 -.994E-01 -.199E-01   -.280E-02 0.179E-02 -.144E-02
   -.189E+00 0.109E+00 0.154E+02   0.455E+00 -.263E+00 -.154E+02   0.136E+00 -.785E-01 -.282E-01   -.385E-02 0.223E-02 -.532E-03
   -.475E+01 0.331E+01 0.145E+02   0.502E+01 -.346E+01 -.144E+02   0.131E+00 -.706E-01 -.432E-01   -.401E-02 0.248E-02 0.986E-04
   -.159E+02 -.550E+00 0.199E+02   0.162E+02 0.444E+00 -.199E+02   0.644E-01 -.106E+00 -.106E-01   -.256E-02 -.137E-02 -.185E-03
   -.157E+02 -.105E+02 0.250E+02   0.161E+02 0.104E+02 -.250E+02   0.408E-01 -.150E+00 -.705E-02   0.275E-04 -.909E-03 -.143E-02
   0.462E+01 0.760E+01 0.203E+02   -.492E+01 -.747E+01 -.203E+02   -.116E+00 0.994E-01 -.199E-01   0.280E-02 -.179E-02 -.144E-02
   0.157E+02 0.105E+02 0.250E+02   -.161E+02 -.104E+02 -.250E+02   -.408E-01 0.150E+00 -.705E-02   -.278E-04 0.909E-03 -.143E-02
   0.159E+02 0.550E+00 0.199E+02   -.162E+02 -.444E+00 -.199E+02   -.644E-01 0.106E+00 -.106E-01   0.256E-02 0.137E-02 -.186E-03
   0.475E+01 -.331E+01 0.145E+02   -.502E+01 0.346E+01 -.144E+02   -.131E+00 0.706E-01 -.432E-01   0.401E-02 -.248E-02 0.986E-04
   0.189E+00 -.109E+00 0.154E+02   -.455E+00 0.263E+00 -.154E+02   -.136E+00 0.785E-01 -.282E-01   0.385E-02 -.223E-02 -.532E-03
   0.836E-01 0.114E+02 0.186E+02   -.336E+00 -.112E+02 -.185E+02   -.136E+00 0.101E+00 -.555E-01   0.536E-02 -.727E-03 -.681E-03
   0.103E+02 0.292E+02 0.397E+02   -.107E+02 -.293E+02 -.397E+02   0.399E-02 0.287E+00 -.149E-01   0.539E-02 -.523E-03 -.174E-02
   0.367E+02 0.515E+01 0.455E+02   -.376E+02 -.525E+01 -.458E+02   0.501E+00 0.341E+00 0.346E+00   -.144E-02 0.259E-02 -.125E-02
   0.197E+02 -.114E+02 0.205E+02   -.200E+02 0.116E+02 -.204E+02   -.752E-01 0.434E-01 -.133E+00   0.283E-02 -.164E-02 0.246E-03
   0.524E+01 -.246E+01 0.145E+02   -.551E+01 0.262E+01 -.144E+02   -.127E+00 0.784E-01 -.432E-01   0.415E-02 -.224E-02 0.943E-04
   -.173E+01 0.254E+01 0.162E+02   0.151E+01 -.239E+01 -.162E+02   -.153E+00 0.895E-01 -.289E-02   0.187E-02 -.458E-03 0.401E-04
   -.156E+02 0.198E+02 0.263E+02   0.156E+02 -.198E+02 -.263E+02   -.362E+00 0.226E+00 -.528E-01   0.461E-02 -.403E-03 -.277E-03
   -.254E+02 0.147E+02 0.685E+02   0.261E+02 -.151E+02 -.706E+02   -.110E+01 0.633E+00 0.208E+01   0.486E-02 -.280E-02 -.238E-02
   0.139E+02 -.343E+02 0.455E+02   -.142E+02 0.352E+02 -.458E+02   -.448E-01 -.605E+00 0.346E+00   -.296E-02 -.500E-04 -.125E-02
   0.745E+01 -.140E+02 0.199E+02   -.770E+01 0.142E+02 -.199E+02   -.124E+00 0.303E-02 -.106E-01   0.964E-04 -.290E-02 -.193E-03
   0.937E+00 -.456E+01 0.154E+02   -.119E+01 0.473E+01 -.154E+02   -.142E+00 0.603E-01 0.327E-02   -.748E-03 -.847E-03 -.327E-03
   -.754E+01 0.435E+01 0.154E+02   0.729E+01 -.421E+01 -.154E+02   -.158E+00 0.915E-01 0.702E-02   0.659E-04 -.330E-04 0.225E-03
   -.250E+02 0.364E+01 0.263E+02   0.249E+02 -.360E+01 -.263E+02   -.376E+00 0.200E+00 -.528E-01   0.266E-02 -.379E-02 -.272E-03
   -.201E+02 -.235E+02 0.397E+02   0.200E+02 0.239E+02 -.397E+02   -.247E+00 -.147E+00 -.149E-01   0.315E-02 -.441E-02 -.174E-02
   -.123E+01 -.189E+02 0.250E+02   0.976E+00 0.191E+02 -.250E+02   -.150E+00 -.398E-01 -.705E-02   -.797E-03 -.429E-03 -.143E-02
   0.344E+01 -.198E+01 0.178E+02   -.371E+01 0.214E+01 -.178E+02   -.130E+00 0.753E-01 -.291E-02   0.101E-02 -.578E-03 -.112E-02
   0.442E+01 0.147E+01 0.154E+02   -.469E+01 -.133E+01 -.154E+02   -.123E+00 0.929E-01 0.327E-02   0.361E-03 0.108E-02 -.323E-03
   -.306E+01 0.231E+00 0.162E+02   0.283E+01 -.110E+00 -.162E+02   -.154E+00 0.880E-01 -.289E-02   0.133E-02 -.138E-02 0.479E-04
   -.979E+01 -.575E+01 0.186E+02   0.956E+01 0.591E+01 -.185E+02   -.156E+00 0.672E-01 -.555E-01   0.331E-02 -.428E-02 -.676E-03
   -.427E+01 -.780E+01 0.203E+02   0.401E+01 0.800E+01 -.203E+02   -.144E+00 0.506E-01 -.199E-01   0.295E-02 -.153E-02 -.144E-02
 -----------------------------------------------------------------------------------------------
   -.215E-02 0.524E-03 0.868E+01   -.223E-12 -.187E-12 -.160E-12   -.722E-15 -.555E-16 -.861E+01   0.884E-07 -.642E-07 -.445E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.84718      6.05486     12.31788         0.000000      0.000000     -0.037561
      2.25283      6.75747     13.63686         0.020557      0.035605      0.042942
      1.44153      5.35226     13.63686        -0.020557     -0.035605      0.042942
     -0.00295      0.00171      9.93486         0.398763     -0.230226     -0.001836
     11.11466      2.12704      9.93743         0.401566     -0.243043     -0.004725
      9.87590      4.26641      9.95128         0.387575     -0.218137     -0.000355
      8.63907      6.40586      9.95162         0.387450     -0.207975     -0.000130
     -4.95364      8.55813      9.94488         0.394119     -0.230650      0.002001
      2.46861     -0.00206      9.94488         0.396808     -0.225992      0.002001
      1.22955      2.13500      9.95071         0.403990     -0.204622     -0.001256
     -0.01230      4.27446      9.98163         0.372138     -0.234961      0.001809
     -1.25048      6.41560      9.98863         0.398597     -0.232974      0.011395
     -2.48280      8.55478      9.95966         0.405873     -0.234331      0.005632
      4.93916     -0.00258      9.95162         0.373836     -0.231554     -0.000130
      3.70196      2.13276      9.95999         0.375898     -0.224493     -0.002743
      2.46402      4.25940     10.02733         0.401690     -0.212426     -0.012417
      1.21862      6.41776     10.10024         0.346743     -0.200192      0.003778
     -0.01405      8.55715      9.98863         0.401060     -0.228708      0.011395
      7.41039     -0.00398      9.95128         0.382700     -0.226581     -0.000355
      6.17234      2.13355      9.95190         0.383481     -0.237152     -0.003907
      4.93558      4.27178      9.98278         0.400183     -0.231046     -0.010032
      3.71051      6.41840     10.02733         0.384811     -0.241660     -0.012417
      2.45931      8.55542      9.98163         0.389552     -0.204800      0.001809
      9.88252     -0.00709      9.93743         0.411264     -0.226245     -0.004725
      8.64331      2.13112      9.94015         0.398738     -0.230211     -0.001051
      7.40572      4.26982      9.95190         0.397120     -0.213528     -0.003907
      6.17121      6.40963      9.95999         0.382366     -0.213290     -0.002743
      4.93306      8.54968      9.95071         0.379203     -0.247555     -0.001256
      0.00157      1.42184      9.93743        -0.411264      0.226245     -0.004725
     -1.23870      3.56005      9.95071        -0.379203      0.247555     -0.001256
     -2.47686      5.70010      9.95999        -0.382366      0.213290     -0.002743
     -3.71136      7.83991      9.95190        -0.397120      0.213528     -0.003907
     -4.94895      9.97861      9.94015        -0.398738      0.230211     -0.001051
      2.47370      1.41873      9.95128        -0.382700      0.226581     -0.000355
      1.23505      3.55431      9.98163        -0.389552      0.204800      0.001809
     -0.01615      5.69133     10.02733        -0.384811      0.241660     -0.012417
     -1.24122      7.83795      9.98278        -0.400183      0.231046     -0.010032
     -2.47799      9.97618      9.95190        -0.383481      0.237152     -0.003907
      4.94493      1.41734      9.95162        -0.373836      0.231554     -0.000130
      3.70841      3.55258      9.98863        -0.401060      0.228708      0.011395
      2.47574      5.69196     10.10024        -0.346743      0.200192      0.003778
      1.23034      7.85033     10.02733        -0.401690      0.212426     -0.012417
     -0.00760      9.97697      9.95999        -0.375898      0.224493     -0.002743
      7.41548      1.41682      9.94488        -0.396808      0.225992      0.002001
      6.17716      3.55495      9.95966        -0.405873      0.234331      0.005632
      4.94483      5.69413      9.98863        -0.398597      0.232974      0.011395
      3.70666      7.83527      9.98163        -0.372138      0.234961      0.001809
      2.46481      9.97472      9.95071        -0.403990      0.204622     -0.001256
      9.88704      1.41305      9.93486        -0.398763      0.230226     -0.001836
      8.64800      3.55160      9.94488        -0.394119      0.230650      0.002001
      7.41227      5.69090      9.95162        -0.387450      0.207975     -0.000130
      6.17545      7.83035      9.95128        -0.387575      0.218137     -0.000355
      4.93668      9.96973      9.93743        -0.401566      0.243043     -0.004725
 -----------------------------------------------------------------------------------
    total drift:                               -0.002151      0.000524      0.016331


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


 Steepest descent step on ions:
 trial-energy change:    0.048777  1 .order    0.048992   -0.033552    0.131536
  (g-gl).g = 0.336E-01      g.g   = 0.336E-01  gl.gl    = 0.000E+00
 g(Force)  = 0.234E-01   g(Stress)= 0.101E-01 ortho     = 0.000E+00
 gamma     =   0.00000
 trial     =   1.00000
 opt step  =   0.20324  (harmonic =   0.20324) maximal distance =0.00089611
 next E    =  -471.644439   (d E  =  -0.00341)


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


    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  188.10: CPU time   94.23
     LOOP+:  VPU time11622.70: CPU time 6002.55


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


    POTLOK:  VPU time    9.29: CPU time    9.16
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1815.41: CPU time  937.16
 BZINTS: Fermi energy: -3.152203;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time   -0.01: CPU time    0.00
    CHARGE:  VPU time  115.65: CPU time   58.51
    MIXING:  VPU time    0.15: CPU time    0.14
    ------------------------------------------
      LOOP:  VPU time 1940.92: CPU time 1005.35

 eigenvalue-minimisations  :  6048
 total energy-change (2. order) :-0.4716510E+03  (-0.2869414E+00)
 number of electron  212.0000067 magnetization    0.0000000
 augmentation part     7.9595855 magnetization    0.0000001

 Broyden mixing:
  rms(total) = 0.57830E-01    rms(broyden)= 0.57799E-01
  rms(prec ) = 0.61837E-01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34041.38795866
  -1/2 Hartree   DENC   =    -40940.68306685
  -V(xc)+E(xc)   XCENC  =       726.58386933
  PAW double counting   =      4092.79895365    -4131.18253761
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.99604056
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.65100979 eV

  energy without entropy =     -471.65100979  energy(sigma->0) =     -471.65100979


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




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


    POTLOK:  VPU time    9.13: CPU time    9.13
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1874.32: CPU time  967.20
 BZINTS: Fermi energy: -3.154856;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  112.91: CPU time   57.12
    MIXING:  VPU time    0.16: CPU time    0.16
    ------------------------------------------
      LOOP:  VPU time 1996.92: CPU time 1033.97

 eigenvalue-minimisations  :  6272
 total energy-change (2. order) : 0.1556011E-02  (-0.7929702E-02)
 number of electron  212.0000067 magnetization    0.0000000
 augmentation part     7.9601801 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.40452E-01    rms(broyden)= 0.40450E-01
  rms(prec ) = 0.42981E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.4681
  2.4681

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34041.38795866
  -1/2 Hartree   DENC   =    -40940.88211465
  -V(xc)+E(xc)   XCENC  =       726.58682749
  PAW double counting   =      4092.73279686    -4131.11748645
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.79728929
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64945377 eV

  energy without entropy =     -471.64945377  energy(sigma->0) =     -471.64945377


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




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


    POTLOK:  VPU time    9.00: CPU time    8.99
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1814.63: CPU time  940.68
 BZINTS: Fermi energy: -3.152473;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  112.81: CPU time   57.12
    MIXING:  VPU time    0.17: CPU time    0.17
    ------------------------------------------
      LOOP:  VPU time 1937.01: CPU time 1007.33

 eigenvalue-minimisations  :  6048
 total energy-change (2. order) : 0.4896770E-02  (-0.1799148E-02)
 number of electron  212.0000067 magnetization    0.0000000
 augmentation part     7.9600312 magnetization    0.0000001

 Broyden mixing:
  rms(total) = 0.72380E-02    rms(broyden)= 0.72354E-02
  rms(prec ) = 0.78332E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5753
  2.0183  1.1323

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34041.38795866
  -1/2 Hartree   DENC   =    -40941.44974382
  -V(xc)+E(xc)   XCENC  =       726.60303024
  PAW double counting   =      4092.87081601    -4131.25877831
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.23769339
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64455700 eV

  energy without entropy =     -471.64455700  energy(sigma->0) =     -471.64455700


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




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


    POTLOK:  VPU time    9.05: CPU time    9.05
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1931.06: CPU time 1000.52
 BZINTS: Fermi energy: -3.153899;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  113.01: CPU time   57.12
    MIXING:  VPU time    0.18: CPU time    0.18
    ------------------------------------------
      LOOP:  VPU time 2053.70: CPU time 1067.24

 eigenvalue-minimisations  :  6560
 total energy-change (2. order) : 0.5727064E-05  (-0.2765401E-03)
 number of electron  212.0000067 magnetization    0.0000000
 augmentation part     7.9599653 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.22886E-02    rms(broyden)= 0.22885E-02
  rms(prec ) = 0.23989E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7844
  1.2807  1.5987  2.4739

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34041.38795866
  -1/2 Hartree   DENC   =    -40941.38933324
  -V(xc)+E(xc)   XCENC  =       726.60063544
  PAW double counting   =      4092.76771619    -4131.15469061
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.29669132
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64455128 eV

  energy without entropy =     -471.64455128  energy(sigma->0) =     -471.64455128


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




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


    POTLOK:  VPU time    9.03: CPU time    9.04
    SETDIJ:  VPU time    0.33: CPU time    0.33
    EDDAV :  VPU time 1370.49: CPU time  708.25
 BZINTS: Fermi energy: -3.154138;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1379.91: CPU time  717.65

 eigenvalue-minimisations  :  4032
 total energy-change (2. order) :-0.2142016E-05  (-0.5065958E-05)
 number of electron  212.0000067 magnetization    0.0000000
 augmentation part     7.9599653 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34041.38795866
  -1/2 Hartree   DENC   =    -40941.46771297
  -V(xc)+E(xc)   XCENC  =       726.60149964
  PAW double counting   =      4092.68890110    -4131.07466358
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.22038989
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64455342 eV

  energy without entropy =     -471.64455342  energy(sigma->0) =     -471.64455342


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




 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 -58.5436       2 -39.9879       3 -39.9879       4 -58.2438       5 -58.2481
       6 -58.2559       7 -58.2469       8 -58.2447       9 -58.2447      10 -58.2604
      11 -58.3148      12 -58.2933      13 -58.2502      14 -58.2469      15 -58.2580
      16 -58.4385      17 -58.7325      18 -58.2933      19 -58.2559      20 -58.2505
      21 -58.2782      22 -58.4385      23 -58.3148      24 -58.2481      25 -58.2433
      26 -58.2505      27 -58.2580      28 -58.2604      29 -58.2480      30 -58.2603
      31 -58.2579      32 -58.2504      33 -58.2432      34 -58.2558      35 -58.3147
      36 -58.4385      37 -58.2781      38 -58.2504      39 -58.2468      40 -58.2931
      41 -58.7324      42 -58.4385      43 -58.2579      44 -58.2446      45 -58.2500
      46 -58.2931      47 -58.3147      48 -58.2603      49 -58.2437      50 -58.2446
      51 -58.2468      52 -58.2558      53 -58.2480
 
 
 
 E-fermi :  -3.1541     XC(G=0):  -2.3423     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     -22.3557      1.00000
      2     -21.5361      1.00000
      3     -21.4062      1.00000
      4     -21.4059      1.00000
      5     -21.3746      1.00000
      6     -21.3644      1.00000
      7     -21.3571      1.00000
      8     -19.6461      1.00000
      9     -19.5701      1.00000
     10     -19.5660      1.00000
     11     -19.5570      1.00000
     12     -19.5392      1.00000
     13     -19.5377      1.00000
     14     -18.7285      1.00000
     15     -18.6763      1.00000
     16     -18.6730      1.00000
     17     -18.6592      1.00000
     18     -18.6436      1.00000
     19     -18.6389      1.00000
     20     -16.5887      1.00000
     21     -16.5234      1.00000
     22     -16.5227      1.00000
     23     -16.5135      1.00000
     24     -16.4852      1.00000
     25     -16.4840      1.00000
     26     -15.5571      1.00000
     27     -15.5264      1.00000
     28     -15.5254      1.00000
     29     -15.4998      1.00000
     30     -15.4927      1.00000
     31     -15.4889      1.00000
     32     -14.2053      1.00000
     33     -14.1804      1.00000
     34     -14.1695      1.00000
     35     -14.1669      1.00000
     36     -14.1562      1.00000
     37     -14.1467      1.00000
     38     -11.8849      1.00000
     39     -11.8078      1.00000
     40     -11.7933      1.00000
     41     -11.7914      1.00000
     42     -11.7884      1.00000
     43     -11.7826      1.00000
     44     -11.7074      1.00000
     45     -11.6954      1.00000
     46     -11.6687      1.00000
     47     -11.6636      1.00000
     48     -11.6564      1.00000
     49     -11.6465      1.00000
     50     -10.6762      1.00000
     51     -10.3279      1.00000
     52     -10.3215      1.00000
     53     -10.3061      1.00000
     54     -10.3020      1.00000
     55     -10.2915      1.00000
     56     -10.2775      1.00000
     57      -9.9297      1.00000
     58      -9.3727      1.00000
     59      -9.3595      1.00000
     60      -9.3002      1.00000
     61      -9.2908      1.00000
     62      -9.2841      1.00000
     63      -9.0890      1.00000
     64      -9.0638      1.00000
     65      -9.0461      1.00000
     66      -9.0297      1.00000
     67      -9.0031      1.00000
     68      -9.0010      1.00000
     69      -8.9985      1.00000
     70      -8.9955      1.00000
     71      -8.9922      1.00000
     72      -8.9681      1.00000
     73      -8.9678      1.00000
     74      -8.9523      1.00000
     75      -8.5077      1.00000
     76      -7.5151      1.00000
     77      -7.4149      1.00000
     78      -7.4072      1.00000
     79      -7.4008      1.00000
     80      -7.3814      1.00000
     81      -7.3595      1.00000
     82      -7.3405      1.00000
     83      -7.3118      1.00000
     84      -7.2698      1.00000
     85      -7.2049      1.00000
     86      -7.1796      1.00000
     87      -7.1794      1.00000
     88      -7.0720      1.00000
     89      -6.5083      1.00000
     90      -6.4620      1.00000
     91      -6.3562      1.00000
     92      -6.2937      1.00000
     93      -6.2866      1.00000
     94      -6.2852      1.00000
     95      -5.8919      1.00000
     96      -5.8896      1.00000
     97      -5.0529      1.00000
     98      -4.9379      1.00000
     99      -4.5402      1.00000
    100      -4.3419      1.00000
    101      -4.3174      1.00000
    102      -4.3162      1.00000
    103      -4.1164      1.00000
    104      -3.9134      1.00000
    105      -3.9002      1.00000
    106      -3.8376      1.00000
    107      -1.6824      0.00000
    108      -1.6678      0.00000
    109      -1.5370      0.00000
    110      -1.5334      0.00000
    111      -1.5221      0.00000
    112      -1.5094      0.00000
    113      -0.5837      0.00000
    114       0.1366      0.00000
    115       0.2036      0.00000
    116       0.3247      0.00000
    117       0.3287      0.00000
    118       0.3326      0.00000
    119       0.4959      0.00000
    120       0.5943      0.00000
    121       1.2611      0.00000
    122       1.2764      0.00000
    123       1.5261      0.00000
    124       1.7954      0.00000
    125       1.8032      0.00000
    126       1.8061      0.00000
    127       1.8091      0.00000
    128       1.9450      0.00000
    129       1.9756      0.00000
    130       2.0313      0.00000
    131       2.0450      0.00000
    132       2.0508      0.00000
    133       2.0550      0.00000
    134       2.0598      0.00000
    135       2.3089      0.00000
    136       2.3219      0.00000
    137       2.6084      0.00000
    138       2.6223      0.00000
    139       2.6427      0.00000
    140       2.7342      0.00000
    141       2.8574      0.00000
    142       3.0292      0.00000
    143       3.0671      0.00000
    144       3.0737      0.00000
    145       3.0876      0.00000
    146       3.1077      0.00000
    147       3.1134      0.00000
    148       3.2314      0.00000
    149       3.4457      0.00000
    150       3.5543      0.00000
    151       3.7884      0.00000
    152       3.9490      0.00000
    153       3.9523      0.00000
    154       3.9727      0.00000
    155       3.9799      0.00000
    156       4.0039      0.00000
    157       4.1776      0.00000
    158       4.2737      0.00000
    159       4.2843      0.00000
    160       4.2852      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3192      1.00000
      2     -21.7608      1.00000
      3     -21.5695      1.00000
      4     -21.5369      1.00000
      5     -21.2069      1.00000
      6     -21.1621      1.00000
      7     -20.9868      1.00000
      8     -20.1014      1.00000
      9     -20.0572      1.00000
     10     -19.5448      1.00000
     11     -19.5198      1.00000
     12     -19.3496      1.00000
     13     -19.0250      1.00000
     14     -18.9875      1.00000
     15     -18.9812      1.00000
     16     -18.9684      1.00000
     17     -18.2971      1.00000
     18     -18.2759      1.00000
     19     -17.9533      1.00000
     20     -17.0115      1.00000
     21     -16.9605      1.00000
     22     -16.8815      1.00000
     23     -16.8640      1.00000
     24     -16.4040      1.00000
     25     -16.3861      1.00000
     26     -15.5492      1.00000
     27     -15.5348      1.00000
     28     -15.1975      1.00000
     29     -15.1700      1.00000
     30     -15.1162      1.00000
     31     -15.0290      1.00000
     32     -15.0029      1.00000
     33     -14.6346      1.00000
     34     -14.6222      1.00000
     35     -13.6668      1.00000
     36     -13.6497      1.00000
     37     -13.1721      1.00000
     38     -12.5530      1.00000
     39     -12.5175      1.00000
     40     -12.3924      1.00000
     41     -12.3782      1.00000
     42     -12.0581      1.00000
     43     -12.0330      1.00000
     44     -11.6558      1.00000
     45     -11.6130      1.00000
     46     -11.1783      1.00000
     47     -11.1573      1.00000
     48     -10.9666      1.00000
     49     -10.9430      1.00000
     50     -10.8720      1.00000
     51     -10.8348      1.00000
     52     -10.6036      1.00000
     53     -10.0940      1.00000
     54     -10.0912      1.00000
     55     -10.0476      1.00000
     56      -9.9730      1.00000
     57      -9.6530      1.00000
     58      -9.6330      1.00000
     59      -9.5904      1.00000
     60      -9.5314      1.00000
     61      -9.5045      1.00000
     62      -9.4787      1.00000
     63      -9.2663      1.00000
     64      -9.2463      1.00000
     65      -9.2189      1.00000
     66      -9.1611      1.00000
     67      -9.0695      1.00000
     68      -9.0540      1.00000
     69      -9.0358      1.00000
     70      -8.8828      1.00000
     71      -8.8012      1.00000
     72      -8.5781      1.00000
     73      -8.5235      1.00000
     74      -8.4624      1.00000
     75      -8.0389      1.00000
     76      -7.8134      1.00000
     77      -7.8067      1.00000
     78      -7.7889      1.00000
     79      -7.7038      1.00000
     80      -7.6898      1.00000
     81      -7.3620      1.00000
     82      -7.2776      1.00000
     83      -7.2611      1.00000
     84      -7.2152      1.00000
     85      -7.1723      1.00000
     86      -7.0086      1.00000
     87      -6.9430      1.00000
     88      -6.7465      1.00000
     89      -6.6719      1.00000
     90      -6.5935      1.00000
     91      -6.5595      1.00000
     92      -6.0539      1.00000
     93      -6.0464      1.00000
     94      -6.0213      1.00000
     95      -5.9560      1.00000
     96      -5.7373      1.00000
     97      -5.1590      1.00000
     98      -4.9910      1.00000
     99      -4.7202      1.00000
    100      -4.6108      1.00000
    101      -4.4402      1.00000
    102      -4.3746      1.00000
    103      -4.1229      1.00000
    104      -3.8686      1.00000
    105      -3.8372      1.00000
    106      -3.7893      1.00000
    107      -1.7855      0.00000
    108      -1.7388      0.00000
    109      -1.3953      0.00000
    110      -1.3443      0.00000
    111      -1.2641      0.00000
    112      -1.2262      0.00000
    113      -0.7456      0.00000
    114      -0.3796      0.00000
    115      -0.2164      0.00000
    116      -0.0181      0.00000
    117       0.5904      0.00000
    118       0.7371      0.00000
    119       0.7631      0.00000
    120       1.0495      0.00000
    121       1.1410      0.00000
    122       1.2504      0.00000
    123       1.2723      0.00000
    124       1.4155      0.00000
    125       1.4771      0.00000
    126       1.5848      0.00000
    127       1.7598      0.00000
    128       1.8380      0.00000
    129       1.8963      0.00000
    130       1.9586      0.00000
    131       2.1051      0.00000
    132       2.2374      0.00000
    133       2.2466      0.00000
    134       2.2943      0.00000
    135       2.4844      0.00000
    136       2.6167      0.00000
    137       2.6375      0.00000
    138       2.7652      0.00000
    139       2.8012      0.00000
    140       2.8588      0.00000
    141       2.8712      0.00000
    142       2.8921      0.00000
    143       2.9615      0.00000
    144       3.0823      0.00000
    145       3.2870      0.00000
    146       3.3030      0.00000
    147       3.3758      0.00000
    148       3.4085      0.00000
    149       3.4695      0.00000
    150       3.5929      0.00000
    151       3.6370      0.00000
    152       3.6823      0.00000
    153       3.7143      0.00000
    154       3.9078      0.00000
    155       3.9383      0.00000
    156       3.9834      0.00000
    157       4.0834      0.00000
    158       4.1986      0.00000
    159       4.2572      0.00000
    160       4.2972      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2136      1.00000
      2     -22.0072      1.00000
      3     -21.6481      1.00000
      4     -21.6113      1.00000
      5     -20.9123      1.00000
      6     -20.8660      1.00000
      7     -20.5453      1.00000
      8     -20.5064      1.00000
      9     -20.4951      1.00000
     10     -19.9638      1.00000
     11     -19.4412      1.00000
     12     -19.4135      1.00000
     13     -19.2401      1.00000
     14     -19.2253      1.00000
     15     -18.3849      1.00000
     16     -18.3402      1.00000
     17     -17.8606      1.00000
     18     -17.8366      1.00000
     19     -17.6989      1.00000
     20     -17.6560      1.00000
     21     -17.3735      1.00000
     22     -17.3529      1.00000
     23     -17.2763      1.00000
     24     -16.3990      1.00000
     25     -16.3836      1.00000
     26     -15.8973      1.00000
     27     -15.3495      1.00000
     28     -15.3362      1.00000
     29     -15.0319      1.00000
     30     -15.0199      1.00000
     31     -14.8006      1.00000
     32     -14.7760      1.00000
     33     -14.2239      1.00000
     34     -14.1902      1.00000
     35     -13.3733      1.00000
     36     -13.3374      1.00000
     37     -13.1202      1.00000
     38     -13.1002      1.00000
     39     -12.9167      1.00000
     40     -12.9030      1.00000
     41     -12.5575      1.00000
     42     -12.5367      1.00000
     43     -12.1361      1.00000
     44     -11.5192      1.00000
     45     -11.4701      1.00000
     46     -11.2513      1.00000
     47     -11.2162      1.00000
     48     -11.0828      1.00000
     49     -10.6596      1.00000
     50     -10.5889      1.00000
     51     -10.5225      1.00000
     52     -10.2657      1.00000
     53     -10.2454      1.00000
     54     -10.1220      1.00000
     55     -10.0493      1.00000
     56     -10.0371      1.00000
     57      -9.7697      1.00000
     58      -9.7136      1.00000
     59      -9.6758      1.00000
     60      -9.6345      1.00000
     61      -9.6255      1.00000
     62      -9.5870      1.00000
     63      -9.2993      1.00000
     64      -9.2844      1.00000
     65      -9.2484      1.00000
     66      -9.0906      1.00000
     67      -8.9031      1.00000
     68      -8.8807      1.00000
     69      -8.7245      1.00000
     70      -8.5907      1.00000
     71      -8.5094      1.00000
     72      -8.3317      1.00000
     73      -8.3025      1.00000
     74      -8.2648      1.00000
     75      -8.2332      1.00000
     76      -8.1958      1.00000
     77      -8.1830      1.00000
     78      -8.1669      1.00000
     79      -8.1055      1.00000
     80      -7.6892      1.00000
     81      -7.3563      1.00000
     82      -7.3096      1.00000
     83      -7.2655      1.00000
     84      -7.1898      1.00000
     85      -7.1245      1.00000
     86      -7.0763      1.00000
     87      -6.9054      1.00000
     88      -6.8817      1.00000
     89      -6.5455      1.00000
     90      -6.4961      1.00000
     91      -6.2063      1.00000
     92      -6.0705      1.00000
     93      -5.9435      1.00000
     94      -5.7154      1.00000
     95      -5.6337      1.00000
     96      -5.4531      1.00000
     97      -5.3049      1.00000
     98      -5.2356      1.00000
     99      -5.1538      1.00000
    100      -5.1499      1.00000
    101      -4.5247      1.00000
    102      -4.4715      1.00000
    103      -4.1442      1.00000
    104      -3.8403      1.00000
    105      -3.7570      1.00000
    106      -3.6781      1.00000
    107      -1.8718      0.00000
    108      -1.8243      0.00000
    109      -1.2783      0.00000
    110      -1.0335      0.00000
    111      -1.0126      0.00000
    112      -0.7130      0.00000
    113      -0.6374      0.00000
    114      -0.5884      0.00000
    115      -0.5463      0.00000
    116      -0.2003      0.00000
    117       0.2518      0.00000
    118       0.2782      0.00000
    119       0.7596      0.00000
    120       0.9454      0.00000
    121       1.1343      0.00000
    122       1.2242      0.00000
    123       1.3202      0.00000
    124       1.4149      0.00000
    125       1.6001      0.00000
    126       1.6339      0.00000
    127       1.6984      0.00000
    128       1.8303      0.00000
    129       1.9212      0.00000
    130       2.0086      0.00000
    131       2.1011      0.00000
    132       2.3312      0.00000
    133       2.3935      0.00000
    134       2.4326      0.00000
    135       2.5385      0.00000
    136       2.6349      0.00000
    137       2.7635      0.00000
    138       2.8242      0.00000
    139       2.8344      0.00000
    140       2.8926      0.00000
    141       3.0476      0.00000
    142       3.0865      0.00000
    143       3.1882      0.00000
    144       3.2368      0.00000
    145       3.3780      0.00000
    146       3.4202      0.00000
    147       3.4872      0.00000
    148       3.5878      0.00000
    149       3.6045      0.00000
    150       3.6314      0.00000
    151       3.6499      0.00000
    152       3.7419      0.00000
    153       3.7724      0.00000
    154       3.7871      0.00000
    155       3.8119      0.00000
    156       3.8922      0.00000
    157       3.9750      0.00000
    158       4.0077      0.00000
    159       4.1781      0.00000
    160       4.2554      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2474      1.00000
      2     -21.8929      1.00000
      3     -21.8223      1.00000
      4     -21.3104      1.00000
      5     -21.2801      1.00000
      6     -20.7707      1.00000
      7     -20.7047      1.00000
      8     -20.5568      1.00000
      9     -20.0069      1.00000
     10     -19.9992      1.00000
     11     -19.6478      1.00000
     12     -19.6235      1.00000
     13     -18.9284      1.00000
     14     -18.9197      1.00000
     15     -18.5668      1.00000
     16     -18.5535      1.00000
     17     -18.3962      1.00000
     18     -17.6177      1.00000
     19     -17.5606      1.00000
     20     -17.5558      1.00000
     21     -17.5146      1.00000
     22     -17.0537      1.00000
     23     -17.0366      1.00000
     24     -16.8856      1.00000
     25     -15.9248      1.00000
     26     -15.8649      1.00000
     27     -15.5169      1.00000
     28     -15.5161      1.00000
     29     -15.2290      1.00000
     30     -14.7933      1.00000
     31     -14.7663      1.00000
     32     -14.5187      1.00000
     33     -14.4742      1.00000
     34     -14.0968      1.00000
     35     -14.0853      1.00000
     36     -13.0745      1.00000
     37     -13.0361      1.00000
     38     -12.9706      1.00000
     39     -12.9585      1.00000
     40     -12.6486      1.00000
     41     -12.6416      1.00000
     42     -12.2709      1.00000
     43     -12.2392      1.00000
     44     -11.5834      1.00000
     45     -11.5549      1.00000
     46     -11.5036      1.00000
     47     -10.9023      1.00000
     48     -10.8471      1.00000
     49     -10.6244      1.00000
     50     -10.5616      1.00000
     51     -10.4857      1.00000
     52     -10.4287      1.00000
     53     -10.4192      1.00000
     54     -10.3721      1.00000
     55     -10.3020      1.00000
     56     -10.0657      1.00000
     57      -9.8326      1.00000
     58      -9.5572      1.00000
     59      -9.4970      1.00000
     60      -9.4726      1.00000
     61      -9.3411      1.00000
     62      -9.3310      1.00000
     63      -9.3170      1.00000
     64      -9.3101      1.00000
     65      -9.2132      1.00000
     66      -9.1075      1.00000
     67      -9.0747      1.00000
     68      -9.0461      1.00000
     69      -8.8492      1.00000
     70      -8.7871      1.00000
     71      -8.7696      1.00000
     72      -8.5273      1.00000
     73      -8.4771      1.00000
     74      -8.2258      1.00000
     75      -8.1070      1.00000
     76      -8.0951      1.00000
     77      -7.8089      1.00000
     78      -7.7878      1.00000
     79      -7.7876      1.00000
     80      -7.6736      1.00000
     81      -7.6343      1.00000
     82      -7.6319      1.00000
     83      -7.3990      1.00000
     84      -7.3249      1.00000
     85      -7.1958      1.00000
     86      -6.8374      1.00000
     87      -6.8259      1.00000
     88      -6.6628      1.00000
     89      -6.5378      1.00000
     90      -6.3498      1.00000
     91      -6.3070      1.00000
     92      -6.1814      1.00000
     93      -6.1417      1.00000
     94      -5.9785      1.00000
     95      -5.5735      1.00000
     96      -5.4275      1.00000
     97      -5.2602      1.00000
     98      -5.2526      1.00000
     99      -5.1508      1.00000
    100      -4.6941      1.00000
    101      -4.6651      1.00000
    102      -4.3492      1.00000
    103      -4.3172      1.00000
    104      -3.9654      1.00000
    105      -3.8340      1.00000
    106      -3.3869      1.00000
    107      -2.2211      0.00000
    108      -1.3771      0.00000
    109      -1.2853      0.00000
    110      -1.1738      0.00000
    111      -1.0783      0.00000
    112      -0.8949      0.00000
    113      -0.7682      0.00000
    114      -0.7581      0.00000
    115      -0.2155      0.00000
    116       0.1167      0.00000
    117       0.2672      0.00000
    118       0.3459      0.00000
    119       0.7327      0.00000
    120       0.9025      0.00000
    121       0.9704      0.00000
    122       1.0952      0.00000
    123       1.2077      0.00000
    124       1.5291      0.00000
    125       1.5634      0.00000
    126       1.7183      0.00000
    127       1.8369      0.00000
    128       1.8601      0.00000
    129       1.9662      0.00000
    130       2.0007      0.00000
    131       2.1550      0.00000
    132       2.2654      0.00000
    133       2.4527      0.00000
    134       2.4721      0.00000
    135       2.5101      0.00000
    136       2.6684      0.00000
    137       2.6881      0.00000
    138       2.7307      0.00000
    139       2.7512      0.00000
    140       2.8910      0.00000
    141       3.0205      0.00000
    142       3.0810      0.00000
    143       3.2033      0.00000
    144       3.2628      0.00000
    145       3.2634      0.00000
    146       3.2660      0.00000
    147       3.3711      0.00000
    148       3.4776      0.00000
    149       3.5318      0.00000
    150       3.6959      0.00000
    151       3.7533      0.00000
    152       3.7682      0.00000
    153       3.8329      0.00000
    154       3.8810      0.00000
    155       3.9417      0.00000
    156       3.9900      0.00000
    157       4.0237      0.00000
    158       4.0512      0.00000
    159       4.0657      0.00000
    160       4.1299      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1416      1.00000
      2     -22.0459      1.00000
      3     -21.8857      1.00000
      4     -21.3336      1.00000
      5     -20.9813      1.00000
      6     -20.9427      1.00000
      7     -20.4329      1.00000
      8     -20.3900      1.00000
      9     -20.2267      1.00000
     10     -20.2051      1.00000
     11     -19.8879      1.00000
     12     -19.8198      1.00000
     13     -18.8134      1.00000
     14     -18.7416      1.00000
     15     -18.2911      1.00000
     16     -18.2369      1.00000
     17     -18.0863      1.00000
     18     -18.0640      1.00000
     19     -17.7627      1.00000
     20     -17.7191      1.00000
     21     -17.1909      1.00000
     22     -17.1652      1.00000
     23     -17.1018      1.00000
     24     -17.0614      1.00000
     25     -16.0383      1.00000
     26     -15.8206      1.00000
     27     -15.7991      1.00000
     28     -15.7619      1.00000
     29     -15.1751      1.00000
     30     -14.4887      1.00000
     31     -14.4564      1.00000
     32     -14.2189      1.00000
     33     -13.8988      1.00000
     34     -13.8898      1.00000
     35     -13.7581      1.00000
     36     -13.7343      1.00000
     37     -13.5519      1.00000
     38     -13.5017      1.00000
     39     -13.2998      1.00000
     40     -12.5646      1.00000
     41     -12.1249      1.00000
     42     -12.0645      1.00000
     43     -12.0081      1.00000
     44     -11.9490      1.00000
     45     -11.6143      1.00000
     46     -11.5908      1.00000
     47     -11.0833      1.00000
     48     -11.0500      1.00000
     49     -10.7511      1.00000
     50     -10.6593      1.00000
     51     -10.5278      1.00000
     52     -10.1563      1.00000
     53     -10.1352      1.00000
     54     -10.0958      1.00000
     55      -9.9564      1.00000
     56      -9.9478      1.00000
     57      -9.9160      1.00000
     58      -9.7404      1.00000
     59      -9.7332      1.00000
     60      -9.6977      1.00000
     61      -9.6920      1.00000
     62      -9.4294      1.00000
     63      -9.3594      1.00000
     64      -9.0876      1.00000
     65      -9.0129      1.00000
     66      -8.9717      1.00000
     67      -8.8864      1.00000
     68      -8.8109      1.00000
     69      -8.6600      1.00000
     70      -8.6392      1.00000
     71      -8.5797      1.00000
     72      -8.4746      1.00000
     73      -8.4632      1.00000
     74      -8.4002      1.00000
     75      -8.3927      1.00000
     76      -8.1831      1.00000
     77      -8.1158      1.00000
     78      -7.9771      1.00000
     79      -7.9174      1.00000
     80      -7.8483      1.00000
     81      -7.6182      1.00000
     82      -7.5291      1.00000
     83      -7.4665      1.00000
     84      -7.2506      1.00000
     85      -6.9375      1.00000
     86      -6.8607      1.00000
     87      -6.8133      1.00000
     88      -6.5751      1.00000
     89      -6.4649      1.00000
     90      -6.4168      1.00000
     91      -6.3553      1.00000
     92      -6.0532      1.00000
     93      -5.8788      1.00000
     94      -5.7523      1.00000
     95      -5.7228      1.00000
     96      -5.4776      1.00000
     97      -5.3470      1.00000
     98      -5.1808      1.00000
     99      -5.1577      1.00000
    100      -5.1531      1.00000
    101      -4.7072      1.00000
    102      -4.4417      1.00000
    103      -4.2570      1.00000
    104      -3.9971      1.00000
    105      -3.8329      1.00000
    106      -3.1547      1.00000
    107      -2.4636      0.00000
    108      -1.3802      0.00000
    109      -1.2400      0.00000
    110      -1.1469      0.00000
    111      -1.1134      0.00000
    112      -0.5635      0.00000
    113      -0.4344      0.00000
    114      -0.4296      0.00000
    115      -0.3077      0.00000
    116      -0.1899      0.00000
    117       0.0609      0.00000
    118       0.1170      0.00000
    119       0.5415      0.00000
    120       0.6838      0.00000
    121       0.8714      0.00000
    122       0.9670      0.00000
    123       1.1098      0.00000
    124       1.4975      0.00000
    125       1.6662      0.00000
    126       1.7971      0.00000
    127       1.8787      0.00000
    128       2.0926      0.00000
    129       2.1300      0.00000
    130       2.1996      0.00000
    131       2.2167      0.00000
    132       2.3402      0.00000
    133       2.3629      0.00000
    134       2.4880      0.00000
    135       2.5833      0.00000
    136       2.6681      0.00000
    137       2.8771      0.00000
    138       2.9359      0.00000
    139       2.9670      0.00000
    140       2.9982      0.00000
    141       3.0539      0.00000
    142       3.1499      0.00000
    143       3.1873      0.00000
    144       3.2580      0.00000
    145       3.2909      0.00000
    146       3.3297      0.00000
    147       3.3521      0.00000
    148       3.3787      0.00000
    149       3.3954      0.00000
    150       3.4948      0.00000
    151       3.5515      0.00000
    152       3.6322      0.00000
    153       3.6966      0.00000
    154       3.7075      0.00000
    155       3.7265      0.00000
    156       3.9194      0.00000
    157       3.9460      0.00000
    158       4.0593      0.00000
    159       4.0894      0.00000
    160       4.2003      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2471      1.00000
      2     -21.8946      1.00000
      3     -21.8206      1.00000
      4     -21.3159      1.00000
      5     -21.2770      1.00000
      6     -20.7707      1.00000
      7     -20.7011      1.00000
      8     -20.5532      1.00000
      9     -20.0231      1.00000
     10     -19.9903      1.00000
     11     -19.6496      1.00000
     12     -19.6179      1.00000
     13     -18.9436      1.00000
     14     -18.9079      1.00000
     15     -18.5850      1.00000
     16     -18.5472      1.00000
     17     -18.3900      1.00000
     18     -17.6018      1.00000
     19     -17.5669      1.00000
     20     -17.5396      1.00000
     21     -17.5059      1.00000
     22     -17.0756      1.00000
     23     -17.0269      1.00000
     24     -16.9020      1.00000
     25     -15.9474      1.00000
     26     -15.8514      1.00000
     27     -15.5318      1.00000
     28     -15.5057      1.00000
     29     -15.2083      1.00000
     30     -14.8138      1.00000
     31     -14.7609      1.00000
     32     -14.5075      1.00000
     33     -14.4653      1.00000
     34     -14.0993      1.00000
     35     -14.0938      1.00000
     36     -13.1050      1.00000
     37     -13.0278      1.00000
     38     -12.9532      1.00000
     39     -12.9478      1.00000
     40     -12.6541      1.00000
     41     -12.6249      1.00000
     42     -12.2747      1.00000
     43     -12.2484      1.00000
     44     -11.5765      1.00000
     45     -11.5550      1.00000
     46     -11.5008      1.00000
     47     -10.8775      1.00000
     48     -10.8732      1.00000
     49     -10.6845      1.00000
     50     -10.5238      1.00000
     51     -10.5188      1.00000
     52     -10.4386      1.00000
     53     -10.4142      1.00000
     54     -10.3689      1.00000
     55     -10.2832      1.00000
     56     -10.0610      1.00000
     57      -9.8312      1.00000
     58      -9.5561      1.00000
     59      -9.4794      1.00000
     60      -9.4446      1.00000
     61      -9.3647      1.00000
     62      -9.3339      1.00000
     63      -9.3031      1.00000
     64      -9.2995      1.00000
     65      -9.2064      1.00000
     66      -9.1018      1.00000
     67      -9.0706      1.00000
     68      -9.0503      1.00000
     69      -8.8532      1.00000
     70      -8.8056      1.00000
     71      -8.7746      1.00000
     72      -8.5257      1.00000
     73      -8.4982      1.00000
     74      -8.2299      1.00000
     75      -8.1353      1.00000
     76      -8.0906      1.00000
     77      -7.8045      1.00000
     78      -7.7641      1.00000
     79      -7.7380      1.00000
     80      -7.7053      1.00000
     81      -7.6325      1.00000
     82      -7.6243      1.00000
     83      -7.3871      1.00000
     84      -7.3421      1.00000
     85      -7.2161      1.00000
     86      -6.8433      1.00000
     87      -6.8227      1.00000
     88      -6.6401      1.00000
     89      -6.5299      1.00000
     90      -6.3379      1.00000
     91      -6.2743      1.00000
     92      -6.1963      1.00000
     93      -6.1343      1.00000
     94      -6.0210      1.00000
     95      -5.6377      1.00000
     96      -5.5091      1.00000
     97      -5.2962      1.00000
     98      -5.1545      1.00000
     99      -5.0412      1.00000
    100      -4.7265      1.00000
    101      -4.6866      1.00000
    102      -4.3693      1.00000
    103      -4.1864      1.00000
    104      -4.0103      1.00000
    105      -3.8323      1.00000
    106      -3.4849      1.00000
    107      -2.1635      0.00000
    108      -1.3846      0.00000
    109      -1.2354      0.00000
    110      -1.1839      0.00000
    111      -1.0153      0.00000
    112      -0.9532      0.00000
    113      -0.7968      0.00000
    114      -0.7512      0.00000
    115      -0.3640      0.00000
    116       0.2434      0.00000
    117       0.2754      0.00000
    118       0.3647      0.00000
    119       0.6996      0.00000
    120       0.8703      0.00000
    121       0.9653      0.00000
    122       1.1274      0.00000
    123       1.2335      0.00000
    124       1.4582      0.00000
    125       1.5551      0.00000
    126       1.7821      0.00000
    127       1.8529      0.00000
    128       1.8850      0.00000
    129       1.9831      0.00000
    130       2.0293      0.00000
    131       2.1958      0.00000
    132       2.2126      0.00000
    133       2.4034      0.00000
    134       2.4459      0.00000
    135       2.5637      0.00000
    136       2.6566      0.00000
    137       2.6839      0.00000
    138       2.7265      0.00000
    139       2.7727      0.00000
    140       2.8619      0.00000
    141       2.9677      0.00000
    142       3.0847      0.00000
    143       3.1929      0.00000
    144       3.2433      0.00000
    145       3.2574      0.00000
    146       3.2962      0.00000
    147       3.3383      0.00000
    148       3.4834      0.00000
    149       3.5056      0.00000
    150       3.7026      0.00000
    151       3.7210      0.00000
    152       3.7699      0.00000
    153       3.8591      0.00000
    154       3.8764      0.00000
    155       3.9041      0.00000
    156       3.9985      0.00000
    157       4.0019      0.00000
    158       4.0570      0.00000
    159       4.0779      0.00000
    160       4.1347      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3191      1.00000
      2     -21.7606      1.00000
      3     -21.5672      1.00000
      4     -21.5406      1.00000
      5     -21.2045      1.00000
      6     -21.1658      1.00000
      7     -20.9840      1.00000
      8     -20.0973      1.00000
      9     -20.0587      1.00000
     10     -19.5480      1.00000
     11     -19.5275      1.00000
     12     -19.3419      1.00000
     13     -19.0275      1.00000
     14     -18.9886      1.00000
     15     -18.9773      1.00000
     16     -18.9704      1.00000
     17     -18.2967      1.00000
     18     -18.2830      1.00000
     19     -17.9421      1.00000
     20     -16.9975      1.00000
     21     -16.9561      1.00000
     22     -16.8823      1.00000
     23     -16.8697      1.00000
     24     -16.4197      1.00000
     25     -16.3969      1.00000
     26     -15.5429      1.00000
     27     -15.5395      1.00000
     28     -15.1707      1.00000
     29     -15.1695      1.00000
     30     -15.1270      1.00000
     31     -15.0331      1.00000
     32     -14.9980      1.00000
     33     -14.6358      1.00000
     34     -14.6288      1.00000
     35     -13.6645      1.00000
     36     -13.6545      1.00000
     37     -13.1652      1.00000
     38     -12.5714      1.00000
     39     -12.5109      1.00000
     40     -12.3825      1.00000
     41     -12.3821      1.00000
     42     -12.0354      1.00000
     43     -12.0312      1.00000
     44     -11.6616      1.00000
     45     -11.6210      1.00000
     46     -11.2090      1.00000
     47     -11.1591      1.00000
     48     -10.9516      1.00000
     49     -10.9376      1.00000
     50     -10.8639      1.00000
     51     -10.8312      1.00000
     52     -10.6269      1.00000
     53     -10.1460      1.00000
     54     -10.0819      1.00000
     55     -10.0200      1.00000
     56      -9.9439      1.00000
     57      -9.6301      1.00000
     58      -9.6273      1.00000
     59      -9.6017      1.00000
     60      -9.5436      1.00000
     61      -9.5065      1.00000
     62      -9.4797      1.00000
     63      -9.2718      1.00000
     64      -9.2300      1.00000
     65      -9.2039      1.00000
     66      -9.1890      1.00000
     67      -9.0620      1.00000
     68      -9.0423      1.00000
     69      -9.0389      1.00000
     70      -8.8758      1.00000
     71      -8.8180      1.00000
     72      -8.5410      1.00000
     73      -8.5365      1.00000
     74      -8.5070      1.00000
     75      -8.0236      1.00000
     76      -7.8372      1.00000
     77      -7.8014      1.00000
     78      -7.7761      1.00000
     79      -7.6986      1.00000
     80      -7.6800      1.00000
     81      -7.4106      1.00000
     82      -7.2849      1.00000
     83      -7.2474      1.00000
     84      -7.2037      1.00000
     85      -7.0807      1.00000
     86      -7.0735      1.00000
     87      -6.9454      1.00000
     88      -6.7115      1.00000
     89      -6.6751      1.00000
     90      -6.6297      1.00000
     91      -6.5557      1.00000
     92      -6.0684      1.00000
     93      -6.0282      1.00000
     94      -6.0062      1.00000
     95      -5.9403      1.00000
     96      -5.7992      1.00000
     97      -5.1834      1.00000
     98      -4.8960      1.00000
     99      -4.7945      1.00000
    100      -4.6088      1.00000
    101      -4.5127      1.00000
    102      -4.1419      1.00000
    103      -4.0919      1.00000
    104      -3.9324      1.00000
    105      -3.9176      1.00000
    106      -3.8313      1.00000
    107      -1.7513      0.00000
    108      -1.6951      0.00000
    109      -1.4114      0.00000
    110      -1.3708      0.00000
    111      -1.2650      0.00000
    112      -1.2341      0.00000
    113      -0.6230      0.00000
    114      -0.5944      0.00000
    115      -0.1925      0.00000
    116       0.0427      0.00000
    117       0.5826      0.00000
    118       0.7384      0.00000
    119       0.8486      0.00000
    120       0.9297      0.00000
    121       1.1687      0.00000
    122       1.2121      0.00000
    123       1.2493      0.00000
    124       1.4181      0.00000
    125       1.6013      0.00000
    126       1.6379      0.00000
    127       1.7024      0.00000
    128       1.8084      0.00000
    129       1.9224      0.00000
    130       1.9389      0.00000
    131       2.1474      0.00000
    132       2.1702      0.00000
    133       2.2584      0.00000
    134       2.2952      0.00000
    135       2.5499      0.00000
    136       2.5597      0.00000
    137       2.6361      0.00000
    138       2.7609      0.00000
    139       2.8132      0.00000
    140       2.8524      0.00000
    141       2.8937      0.00000
    142       2.9482      0.00000
    143       3.0189      0.00000
    144       3.0248      0.00000
    145       3.0808      0.00000
    146       3.3114      0.00000
    147       3.3755      0.00000
    148       3.4201      0.00000
    149       3.4854      0.00000
    150       3.5978      0.00000
    151       3.6609      0.00000
    152       3.6698      0.00000
    153       3.6845      0.00000
    154       3.9028      0.00000
    155       3.9728      0.00000
    156       4.0243      0.00000
    157       4.0722      0.00000
    158       4.2515      0.00000
    159       4.2581      0.00000
    160       4.2678      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1404      1.00000
      2     -22.0473      1.00000
      3     -21.8856      1.00000
      4     -21.3356      1.00000
      5     -20.9758      1.00000
      6     -20.9463      1.00000
      7     -20.4276      1.00000
      8     -20.3955      1.00000
      9     -20.2140      1.00000
     10     -20.2118      1.00000
     11     -19.8888      1.00000
     12     -19.8249      1.00000
     13     -18.8198      1.00000
     14     -18.7487      1.00000
     15     -18.2627      1.00000
     16     -18.2492      1.00000
     17     -18.0799      1.00000
     18     -18.0731      1.00000
     19     -17.7432      1.00000
     20     -17.7280      1.00000
     21     -17.1967      1.00000
     22     -17.1727      1.00000
     23     -17.0829      1.00000
     24     -17.0714      1.00000
     25     -16.0516      1.00000
     26     -15.8099      1.00000
     27     -15.8005      1.00000
     28     -15.7818      1.00000
     29     -15.1553      1.00000
     30     -14.4891      1.00000
     31     -14.4676      1.00000
     32     -14.2014      1.00000
     33     -13.9129      1.00000
     34     -13.8822      1.00000
     35     -13.7578      1.00000
     36     -13.7372      1.00000
     37     -13.5364      1.00000
     38     -13.5108      1.00000
     39     -13.2998      1.00000
     40     -12.5748      1.00000
     41     -12.1026      1.00000
     42     -12.0788      1.00000
     43     -12.0015      1.00000
     44     -11.9538      1.00000
     45     -11.5997      1.00000
     46     -11.5914      1.00000
     47     -11.0890      1.00000
     48     -11.0650      1.00000
     49     -10.7396      1.00000
     50     -10.6717      1.00000
     51     -10.5627      1.00000
     52     -10.1348      1.00000
     53     -10.1303      1.00000
     54     -10.0999      1.00000
     55      -9.9640      1.00000
     56      -9.9216      1.00000
     57      -9.9197      1.00000
     58      -9.7489      1.00000
     59      -9.7240      1.00000
     60      -9.6962      1.00000
     61      -9.6961      1.00000
     62      -9.4030      1.00000
     63      -9.3988      1.00000
     64      -9.0703      1.00000
     65      -8.9795      1.00000
     66      -8.9778      1.00000
     67      -8.9090      1.00000
     68      -8.8115      1.00000
     69      -8.6466      1.00000
     70      -8.6286      1.00000
     71      -8.5501      1.00000
     72      -8.5099      1.00000
     73      -8.4906      1.00000
     74      -8.3933      1.00000
     75      -8.3815      1.00000
     76      -8.2099      1.00000
     77      -8.1029      1.00000
     78      -8.0055      1.00000
     79      -7.9008      1.00000
     80      -7.8415      1.00000
     81      -7.6223      1.00000
     82      -7.5348      1.00000
     83      -7.4611      1.00000
     84      -7.2482      1.00000
     85      -6.9375      1.00000
     86      -6.8636      1.00000
     87      -6.8040      1.00000
     88      -6.4797      1.00000
     89      -6.4742      1.00000
     90      -6.4147      1.00000
     91      -6.3615      1.00000
     92      -6.1934      1.00000
     93      -5.8571      1.00000
     94      -5.7366      1.00000
     95      -5.7107      1.00000
     96      -5.5237      1.00000
     97      -5.3293      1.00000
     98      -5.1695      1.00000
     99      -5.1667      1.00000
    100      -5.1344      1.00000
    101      -4.6975      1.00000
    102      -4.3497      1.00000
    103      -4.2829      1.00000
    104      -4.0308      1.00000
    105      -3.8338      1.00000
    106      -3.2351      1.00000
    107      -2.4030      0.00000
    108      -1.3468      0.00000
    109      -1.2405      0.00000
    110      -1.1526      0.00000
    111      -1.1095      0.00000
    112      -0.5830      0.00000
    113      -0.5218      0.00000
    114      -0.4334      0.00000
    115      -0.2771      0.00000
    116      -0.0682      0.00000
    117      -0.0097      0.00000
    118       0.0622      0.00000
    119       0.5819      0.00000
    120       0.7097      0.00000
    121       0.8107      0.00000
    122       0.9423      0.00000
    123       1.1812      0.00000
    124       1.5113      0.00000
    125       1.6227      0.00000
    126       1.8526      0.00000
    127       2.0055      0.00000
    128       2.0509      0.00000
    129       2.1153      0.00000
    130       2.1558      0.00000
    131       2.2546      0.00000
    132       2.2848      0.00000
    133       2.3451      0.00000
    134       2.4672      0.00000
    135       2.6127      0.00000
    136       2.7000      0.00000
    137       2.8218      0.00000
    138       2.9188      0.00000
    139       2.9453      0.00000
    140       3.0371      0.00000
    141       3.0534      0.00000
    142       3.1551      0.00000
    143       3.1657      0.00000
    144       3.2263      0.00000
    145       3.2972      0.00000
    146       3.3125      0.00000
    147       3.3520      0.00000
    148       3.3714      0.00000
    149       3.4166      0.00000
    150       3.4433      0.00000
    151       3.5432      0.00000
    152       3.6108      0.00000
    153       3.7042      0.00000
    154       3.7360      0.00000
    155       3.8466      0.00000
    156       3.9075      0.00000
    157       3.9297      0.00000
    158       3.9585      0.00000
    159       4.1427      0.00000
    160       4.1761      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2130      1.00000
      2     -22.0076      1.00000
      3     -21.6460      1.00000
      4     -21.6152      1.00000
      5     -20.9093      1.00000
      6     -20.8688      1.00000
      7     -20.5382      1.00000
      8     -20.5048      1.00000
      9     -20.4992      1.00000
     10     -19.9601      1.00000
     11     -19.4428      1.00000
     12     -19.4204      1.00000
     13     -19.2416      1.00000
     14     -19.2342      1.00000
     15     -18.3737      1.00000
     16     -18.3388      1.00000
     17     -17.8596      1.00000
     18     -17.8432      1.00000
     19     -17.6884      1.00000
     20     -17.6526      1.00000
     21     -17.3728      1.00000
     22     -17.3583      1.00000
     23     -17.2620      1.00000
     24     -16.4178      1.00000
     25     -16.3941      1.00000
     26     -15.9017      1.00000
     27     -15.3463      1.00000
     28     -15.3414      1.00000
     29     -15.0339      1.00000
     30     -15.0241      1.00000
     31     -14.7731      1.00000
     32     -14.7713      1.00000
     33     -14.2345      1.00000
     34     -14.1836      1.00000
     35     -13.3849      1.00000
     36     -13.3301      1.00000
     37     -13.1125      1.00000
     38     -13.1042      1.00000
     39     -12.9160      1.00000
     40     -12.9100      1.00000
     41     -12.5462      1.00000
     42     -12.5383      1.00000
     43     -12.1273      1.00000
     44     -11.5202      1.00000
     45     -11.4754      1.00000
     46     -11.2501      1.00000
     47     -11.2182      1.00000
     48     -11.0803      1.00000
     49     -10.7109      1.00000
     50     -10.5988      1.00000
     51     -10.5111      1.00000
     52     -10.2465      1.00000
     53     -10.2428      1.00000
     54     -10.1217      1.00000
     55     -10.0579      1.00000
     56     -10.0418      1.00000
     57      -9.7852      1.00000
     58      -9.6831      1.00000
     59      -9.6702      1.00000
     60      -9.6335      1.00000
     61      -9.6237      1.00000
     62      -9.5856      1.00000
     63      -9.2926      1.00000
     64      -9.2797      1.00000
     65      -9.2629      1.00000
     66      -9.0682      1.00000
     67      -8.8911      1.00000
     68      -8.8801      1.00000
     69      -8.7183      1.00000
     70      -8.5838      1.00000
     71      -8.5353      1.00000
     72      -8.3502      1.00000
     73      -8.3052      1.00000
     74      -8.2433      1.00000
     75      -8.2350      1.00000
     76      -8.1974      1.00000
     77      -8.1838      1.00000
     78      -8.1743      1.00000
     79      -8.1117      1.00000
     80      -7.6888      1.00000
     81      -7.4145      1.00000
     82      -7.3405      1.00000
     83      -7.2537      1.00000
     84      -7.1619      1.00000
     85      -7.1109      1.00000
     86      -7.0040      1.00000
     87      -6.9053      1.00000
     88      -6.8476      1.00000
     89      -6.5496      1.00000
     90      -6.4912      1.00000
     91      -6.2153      1.00000
     92      -6.2092      1.00000
     93      -5.8929      1.00000
     94      -5.6745      1.00000
     95      -5.6082      1.00000
     96      -5.5809      1.00000
     97      -5.2512      1.00000
     98      -5.2301      1.00000
     99      -5.1637      1.00000
    100      -5.1342      1.00000
    101      -4.6006      1.00000
    102      -4.2526      1.00000
    103      -4.0474      1.00000
    104      -3.8866      1.00000
    105      -3.8457      1.00000
    106      -3.8030      1.00000
    107      -1.8064      0.00000
    108      -1.7789      0.00000
    109      -1.2267      0.00000
    110      -1.1725      0.00000
    111      -0.9753      0.00000
    112      -0.7358      0.00000
    113      -0.6500      0.00000
    114      -0.5951      0.00000
    115      -0.5480      0.00000
    116      -0.1499      0.00000
    117       0.1770      0.00000
    118       0.2896      0.00000
    119       0.7051      0.00000
    120       0.9481      0.00000
    121       1.1666      0.00000
    122       1.2767      0.00000
    123       1.3450      0.00000
    124       1.5130      0.00000
    125       1.6058      0.00000
    126       1.6266      0.00000
    127       1.6901      0.00000
    128       1.7788      0.00000
    129       1.8561      0.00000
    130       2.0792      0.00000
    131       2.1672      0.00000
    132       2.3167      0.00000
    133       2.3928      0.00000
    134       2.4252      0.00000
    135       2.5607      0.00000
    136       2.6227      0.00000
    137       2.6854      0.00000
    138       2.7527      0.00000
    139       2.8217      0.00000
    140       2.9152      0.00000
    141       3.0598      0.00000
    142       3.0665      0.00000
    143       3.1829      0.00000
    144       3.2779      0.00000
    145       3.3763      0.00000
    146       3.4121      0.00000
    147       3.4617      0.00000
    148       3.5563      0.00000
    149       3.5737      0.00000
    150       3.6258      0.00000
    151       3.6592      0.00000
    152       3.7002      0.00000
    153       3.7855      0.00000
    154       3.8010      0.00000
    155       3.8225      0.00000
    156       3.8943      0.00000
    157       3.8986      0.00000
    158       3.9774      0.00000
    159       4.1944      0.00000
    160       4.2352      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3557      1.00000
      2     -21.5361      1.00000
      3     -21.4062      1.00000
      4     -21.4059      1.00000
      5     -21.3746      1.00000
      6     -21.3644      1.00000
      7     -21.3571      1.00000
      8     -19.6461      1.00000
      9     -19.5701      1.00000
     10     -19.5660      1.00000
     11     -19.5570      1.00000
     12     -19.5392      1.00000
     13     -19.5377      1.00000
     14     -18.7285      1.00000
     15     -18.6763      1.00000
     16     -18.6730      1.00000
     17     -18.6592      1.00000
     18     -18.6436      1.00000
     19     -18.6389      1.00000
     20     -16.5887      1.00000
     21     -16.5234      1.00000
     22     -16.5227      1.00000
     23     -16.5135      1.00000
     24     -16.4852      1.00000
     25     -16.4840      1.00000
     26     -15.5571      1.00000
     27     -15.5264      1.00000
     28     -15.5254      1.00000
     29     -15.4998      1.00000
     30     -15.4927      1.00000
     31     -15.4889      1.00000
     32     -14.2053      1.00000
     33     -14.1804      1.00000
     34     -14.1695      1.00000
     35     -14.1669      1.00000
     36     -14.1562      1.00000
     37     -14.1467      1.00000
     38     -11.8849      1.00000
     39     -11.8078      1.00000
     40     -11.7933      1.00000
     41     -11.7914      1.00000
     42     -11.7884      1.00000
     43     -11.7826      1.00000
     44     -11.7074      1.00000
     45     -11.6954      1.00000
     46     -11.6687      1.00000
     47     -11.6636      1.00000
     48     -11.6564      1.00000
     49     -11.6465      1.00000
     50     -10.6762      1.00000
     51     -10.3279      1.00000
     52     -10.3215      1.00000
     53     -10.3061      1.00000
     54     -10.3020      1.00000
     55     -10.2915      1.00000
     56     -10.2775      1.00000
     57      -9.9297      1.00000
     58      -9.3727      1.00000
     59      -9.3595      1.00000
     60      -9.3002      1.00000
     61      -9.2908      1.00000
     62      -9.2841      1.00000
     63      -9.0890      1.00000
     64      -9.0638      1.00000
     65      -9.0461      1.00000
     66      -9.0297      1.00000
     67      -9.0031      1.00000
     68      -9.0010      1.00000
     69      -8.9985      1.00000
     70      -8.9955      1.00000
     71      -8.9922      1.00000
     72      -8.9681      1.00000
     73      -8.9678      1.00000
     74      -8.9523      1.00000
     75      -8.5077      1.00000
     76      -7.5151      1.00000
     77      -7.4149      1.00000
     78      -7.4072      1.00000
     79      -7.4008      1.00000
     80      -7.3814      1.00000
     81      -7.3595      1.00000
     82      -7.3405      1.00000
     83      -7.3118      1.00000
     84      -7.2698      1.00000
     85      -7.2049      1.00000
     86      -7.1796      1.00000
     87      -7.1794      1.00000
     88      -7.0720      1.00000
     89      -6.5083      1.00000
     90      -6.4620      1.00000
     91      -6.3562      1.00000
     92      -6.2937      1.00000
     93      -6.2866      1.00000
     94      -6.2852      1.00000
     95      -5.8919      1.00000
     96      -5.8896      1.00000
     97      -5.0529      1.00000
     98      -4.9379      1.00000
     99      -4.5402      1.00000
    100      -4.3419      1.00000
    101      -4.3174      1.00000
    102      -4.3162      1.00000
    103      -4.1164      1.00000
    104      -3.9134      1.00000
    105      -3.9002      1.00000
    106      -3.8376      1.00000
    107      -1.6824      0.00000
    108      -1.6678      0.00000
    109      -1.5370      0.00000
    110      -1.5334      0.00000
    111      -1.5221      0.00000
    112      -1.5094      0.00000
    113      -0.5837      0.00000
    114       0.1366      0.00000
    115       0.2036      0.00000
    116       0.3247      0.00000
    117       0.3287      0.00000
    118       0.3326      0.00000
    119       0.4959      0.00000
    120       0.5943      0.00000
    121       1.2611      0.00000
    122       1.2764      0.00000
    123       1.5261      0.00000
    124       1.7954      0.00000
    125       1.8032      0.00000
    126       1.8061      0.00000
    127       1.8091      0.00000
    128       1.9450      0.00000
    129       1.9756      0.00000
    130       2.0313      0.00000
    131       2.0450      0.00000
    132       2.0508      0.00000
    133       2.0550      0.00000
    134       2.0598      0.00000
    135       2.3089      0.00000
    136       2.3219      0.00000
    137       2.6084      0.00000
    138       2.6223      0.00000
    139       2.6427      0.00000
    140       2.7342      0.00000
    141       2.8574      0.00000
    142       3.0292      0.00000
    143       3.0670      0.00000
    144       3.0737      0.00000
    145       3.0876      0.00000
    146       3.1077      0.00000
    147       3.1134      0.00000
    148       3.2314      0.00000
    149       3.4457      0.00000
    150       3.5543      0.00000
    151       3.7884      0.00000
    152       3.9490      0.00000
    153       3.9523      0.00000
    154       3.9727      0.00000
    155       3.9799      0.00000
    156       4.0039      0.00000
    157       4.1776      0.00000
    158       4.2737      0.00000
    159       4.2843      0.00000
    160       4.2852      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3192      1.00000
      2     -21.7608      1.00000
      3     -21.5695      1.00000
      4     -21.5369      1.00000
      5     -21.2069      1.00000
      6     -21.1621      1.00000
      7     -20.9868      1.00000
      8     -20.1014      1.00000
      9     -20.0572      1.00000
     10     -19.5448      1.00000
     11     -19.5198      1.00000
     12     -19.3496      1.00000
     13     -19.0250      1.00000
     14     -18.9875      1.00000
     15     -18.9812      1.00000
     16     -18.9684      1.00000
     17     -18.2971      1.00000
     18     -18.2759      1.00000
     19     -17.9533      1.00000
     20     -17.0115      1.00000
     21     -16.9605      1.00000
     22     -16.8815      1.00000
     23     -16.8640      1.00000
     24     -16.4040      1.00000
     25     -16.3861      1.00000
     26     -15.5492      1.00000
     27     -15.5348      1.00000
     28     -15.1975      1.00000
     29     -15.1700      1.00000
     30     -15.1162      1.00000
     31     -15.0290      1.00000
     32     -15.0029      1.00000
     33     -14.6346      1.00000
     34     -14.6222      1.00000
     35     -13.6668      1.00000
     36     -13.6497      1.00000
     37     -13.1721      1.00000
     38     -12.5530      1.00000
     39     -12.5175      1.00000
     40     -12.3924      1.00000
     41     -12.3782      1.00000
     42     -12.0581      1.00000
     43     -12.0330      1.00000
     44     -11.6558      1.00000
     45     -11.6130      1.00000
     46     -11.1783      1.00000
     47     -11.1573      1.00000
     48     -10.9666      1.00000
     49     -10.9430      1.00000
     50     -10.8720      1.00000
     51     -10.8348      1.00000
     52     -10.6036      1.00000
     53     -10.0940      1.00000
     54     -10.0912      1.00000
     55     -10.0476      1.00000
     56      -9.9730      1.00000
     57      -9.6530      1.00000
     58      -9.6330      1.00000
     59      -9.5904      1.00000
     60      -9.5314      1.00000
     61      -9.5045      1.00000
     62      -9.4787      1.00000
     63      -9.2663      1.00000
     64      -9.2463      1.00000
     65      -9.2189      1.00000
     66      -9.1611      1.00000
     67      -9.0695      1.00000
     68      -9.0540      1.00000
     69      -9.0358      1.00000
     70      -8.8828      1.00000
     71      -8.8012      1.00000
     72      -8.5781      1.00000
     73      -8.5235      1.00000
     74      -8.4624      1.00000
     75      -8.0389      1.00000
     76      -7.8134      1.00000
     77      -7.8067      1.00000
     78      -7.7889      1.00000
     79      -7.7038      1.00000
     80      -7.6898      1.00000
     81      -7.3620      1.00000
     82      -7.2776      1.00000
     83      -7.2611      1.00000
     84      -7.2152      1.00000
     85      -7.1723      1.00000
     86      -7.0086      1.00000
     87      -6.9430      1.00000
     88      -6.7465      1.00000
     89      -6.6719      1.00000
     90      -6.5935      1.00000
     91      -6.5595      1.00000
     92      -6.0539      1.00000
     93      -6.0464      1.00000
     94      -6.0213      1.00000
     95      -5.9560      1.00000
     96      -5.7373      1.00000
     97      -5.1589      1.00000
     98      -4.9910      1.00000
     99      -4.7202      1.00000
    100      -4.6108      1.00000
    101      -4.4402      1.00000
    102      -4.3746      1.00000
    103      -4.1229      1.00000
    104      -3.8686      1.00000
    105      -3.8372      1.00000
    106      -3.7893      1.00000
    107      -1.7855      0.00000
    108      -1.7388      0.00000
    109      -1.3953      0.00000
    110      -1.3443      0.00000
    111      -1.2641      0.00000
    112      -1.2262      0.00000
    113      -0.7456      0.00000
    114      -0.3796      0.00000
    115      -0.2164      0.00000
    116      -0.0181      0.00000
    117       0.5904      0.00000
    118       0.7371      0.00000
    119       0.7631      0.00000
    120       1.0495      0.00000
    121       1.1410      0.00000
    122       1.2504      0.00000
    123       1.2723      0.00000
    124       1.4155      0.00000
    125       1.4771      0.00000
    126       1.5848      0.00000
    127       1.7598      0.00000
    128       1.8380      0.00000
    129       1.8963      0.00000
    130       1.9586      0.00000
    131       2.1051      0.00000
    132       2.2374      0.00000
    133       2.2466      0.00000
    134       2.2943      0.00000
    135       2.4844      0.00000
    136       2.6167      0.00000
    137       2.6375      0.00000
    138       2.7652      0.00000
    139       2.8012      0.00000
    140       2.8588      0.00000
    141       2.8712      0.00000
    142       2.8921      0.00000
    143       2.9615      0.00000
    144       3.0823      0.00000
    145       3.2870      0.00000
    146       3.3030      0.00000
    147       3.3758      0.00000
    148       3.4085      0.00000
    149       3.4695      0.00000
    150       3.5929      0.00000
    151       3.6370      0.00000
    152       3.6823      0.00000
    153       3.7143      0.00000
    154       3.9078      0.00000
    155       3.9383      0.00000
    156       3.9834      0.00000
    157       4.0834      0.00000
    158       4.1986      0.00000
    159       4.2572      0.00000
    160       4.2972      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2136      1.00000
      2     -22.0072      1.00000
      3     -21.6481      1.00000
      4     -21.6113      1.00000
      5     -20.9123      1.00000
      6     -20.8660      1.00000
      7     -20.5453      1.00000
      8     -20.5064      1.00000
      9     -20.4951      1.00000
     10     -19.9638      1.00000
     11     -19.4412      1.00000
     12     -19.4135      1.00000
     13     -19.2401      1.00000
     14     -19.2253      1.00000
     15     -18.3849      1.00000
     16     -18.3402      1.00000
     17     -17.8606      1.00000
     18     -17.8366      1.00000
     19     -17.6989      1.00000
     20     -17.6560      1.00000
     21     -17.3735      1.00000
     22     -17.3529      1.00000
     23     -17.2763      1.00000
     24     -16.3990      1.00000
     25     -16.3836      1.00000
     26     -15.8973      1.00000
     27     -15.3495      1.00000
     28     -15.3362      1.00000
     29     -15.0319      1.00000
     30     -15.0199      1.00000
     31     -14.8006      1.00000
     32     -14.7760      1.00000
     33     -14.2239      1.00000
     34     -14.1902      1.00000
     35     -13.3733      1.00000
     36     -13.3374      1.00000
     37     -13.1202      1.00000
     38     -13.1002      1.00000
     39     -12.9167      1.00000
     40     -12.9030      1.00000
     41     -12.5575      1.00000
     42     -12.5367      1.00000
     43     -12.1361      1.00000
     44     -11.5192      1.00000
     45     -11.4701      1.00000
     46     -11.2513      1.00000
     47     -11.2162      1.00000
     48     -11.0828      1.00000
     49     -10.6596      1.00000
     50     -10.5889      1.00000
     51     -10.5225      1.00000
     52     -10.2657      1.00000
     53     -10.2454      1.00000
     54     -10.1220      1.00000
     55     -10.0493      1.00000
     56     -10.0371      1.00000
     57      -9.7697      1.00000
     58      -9.7136      1.00000
     59      -9.6758      1.00000
     60      -9.6345      1.00000
     61      -9.6255      1.00000
     62      -9.5870      1.00000
     63      -9.2993      1.00000
     64      -9.2844      1.00000
     65      -9.2484      1.00000
     66      -9.0906      1.00000
     67      -8.9031      1.00000
     68      -8.8807      1.00000
     69      -8.7245      1.00000
     70      -8.5907      1.00000
     71      -8.5094      1.00000
     72      -8.3317      1.00000
     73      -8.3025      1.00000
     74      -8.2648      1.00000
     75      -8.2332      1.00000
     76      -8.1958      1.00000
     77      -8.1830      1.00000
     78      -8.1669      1.00000
     79      -8.1055      1.00000
     80      -7.6892      1.00000
     81      -7.3563      1.00000
     82      -7.3096      1.00000
     83      -7.2655      1.00000
     84      -7.1898      1.00000
     85      -7.1245      1.00000
     86      -7.0763      1.00000
     87      -6.9054      1.00000
     88      -6.8817      1.00000
     89      -6.5455      1.00000
     90      -6.4961      1.00000
     91      -6.2063      1.00000
     92      -6.0705      1.00000
     93      -5.9435      1.00000
     94      -5.7154      1.00000
     95      -5.6337      1.00000
     96      -5.4531      1.00000
     97      -5.3049      1.00000
     98      -5.2356      1.00000
     99      -5.1538      1.00000
    100      -5.1499      1.00000
    101      -4.5247      1.00000
    102      -4.4714      1.00000
    103      -4.1442      1.00000
    104      -3.8403      1.00000
    105      -3.7570      1.00000
    106      -3.6781      1.00000
    107      -1.8718      0.00000
    108      -1.8243      0.00000
    109      -1.2783      0.00000
    110      -1.0335      0.00000
    111      -1.0126      0.00000
    112      -0.7130      0.00000
    113      -0.6374      0.00000
    114      -0.5884      0.00000
    115      -0.5463      0.00000
    116      -0.2003      0.00000
    117       0.2518      0.00000
    118       0.2782      0.00000
    119       0.7596      0.00000
    120       0.9454      0.00000
    121       1.1343      0.00000
    122       1.2242      0.00000
    123       1.3202      0.00000
    124       1.4149      0.00000
    125       1.6001      0.00000
    126       1.6339      0.00000
    127       1.6984      0.00000
    128       1.8303      0.00000
    129       1.9212      0.00000
    130       2.0086      0.00000
    131       2.1011      0.00000
    132       2.3312      0.00000
    133       2.3935      0.00000
    134       2.4326      0.00000
    135       2.5385      0.00000
    136       2.6349      0.00000
    137       2.7635      0.00000
    138       2.8242      0.00000
    139       2.8344      0.00000
    140       2.8926      0.00000
    141       3.0476      0.00000
    142       3.0865      0.00000
    143       3.1882      0.00000
    144       3.2368      0.00000
    145       3.3780      0.00000
    146       3.4202      0.00000
    147       3.4872      0.00000
    148       3.5878      0.00000
    149       3.6045      0.00000
    150       3.6314      0.00000
    151       3.6499      0.00000
    152       3.7419      0.00000
    153       3.7724      0.00000
    154       3.7871      0.00000
    155       3.8119      0.00000
    156       3.8922      0.00000
    157       3.9750      0.00000
    158       4.0077      0.00000
    159       4.1781      0.00000
    160       4.2554      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2474      1.00000
      2     -21.8929      1.00000
      3     -21.8223      1.00000
      4     -21.3104      1.00000
      5     -21.2801      1.00000
      6     -20.7707      1.00000
      7     -20.7047      1.00000
      8     -20.5568      1.00000
      9     -20.0069      1.00000
     10     -19.9992      1.00000
     11     -19.6478      1.00000
     12     -19.6235      1.00000
     13     -18.9284      1.00000
     14     -18.9197      1.00000
     15     -18.5668      1.00000
     16     -18.5535      1.00000
     17     -18.3962      1.00000
     18     -17.6177      1.00000
     19     -17.5606      1.00000
     20     -17.5558      1.00000
     21     -17.5146      1.00000
     22     -17.0537      1.00000
     23     -17.0366      1.00000
     24     -16.8856      1.00000
     25     -15.9248      1.00000
     26     -15.8649      1.00000
     27     -15.5169      1.00000
     28     -15.5161      1.00000
     29     -15.2290      1.00000
     30     -14.7933      1.00000
     31     -14.7663      1.00000
     32     -14.5187      1.00000
     33     -14.4742      1.00000
     34     -14.0968      1.00000
     35     -14.0853      1.00000
     36     -13.0745      1.00000
     37     -13.0361      1.00000
     38     -12.9706      1.00000
     39     -12.9585      1.00000
     40     -12.6486      1.00000
     41     -12.6416      1.00000
     42     -12.2709      1.00000
     43     -12.2392      1.00000
     44     -11.5834      1.00000
     45     -11.5549      1.00000
     46     -11.5036      1.00000
     47     -10.9023      1.00000
     48     -10.8471      1.00000
     49     -10.6244      1.00000
     50     -10.5616      1.00000
     51     -10.4857      1.00000
     52     -10.4287      1.00000
     53     -10.4192      1.00000
     54     -10.3721      1.00000
     55     -10.3020      1.00000
     56     -10.0657      1.00000
     57      -9.8326      1.00000
     58      -9.5572      1.00000
     59      -9.4970      1.00000
     60      -9.4726      1.00000
     61      -9.3411      1.00000
     62      -9.3310      1.00000
     63      -9.3170      1.00000
     64      -9.3101      1.00000
     65      -9.2132      1.00000
     66      -9.1075      1.00000
     67      -9.0747      1.00000
     68      -9.0461      1.00000
     69      -8.8492      1.00000
     70      -8.7871      1.00000
     71      -8.7696      1.00000
     72      -8.5273      1.00000
     73      -8.4771      1.00000
     74      -8.2258      1.00000
     75      -8.1070      1.00000
     76      -8.0951      1.00000
     77      -7.8089      1.00000
     78      -7.7878      1.00000
     79      -7.7876      1.00000
     80      -7.6736      1.00000
     81      -7.6343      1.00000
     82      -7.6319      1.00000
     83      -7.3990      1.00000
     84      -7.3249      1.00000
     85      -7.1958      1.00000
     86      -6.8374      1.00000
     87      -6.8259      1.00000
     88      -6.6628      1.00000
     89      -6.5378      1.00000
     90      -6.3498      1.00000
     91      -6.3070      1.00000
     92      -6.1814      1.00000
     93      -6.1417      1.00000
     94      -5.9785      1.00000
     95      -5.5735      1.00000
     96      -5.4275      1.00000
     97      -5.2602      1.00000
     98      -5.2526      1.00000
     99      -5.1508      1.00000
    100      -4.6941      1.00000
    101      -4.6651      1.00000
    102      -4.3492      1.00000
    103      -4.3172      1.00000
    104      -3.9654      1.00000
    105      -3.8340      1.00000
    106      -3.3869      1.00000
    107      -2.2211      0.00000
    108      -1.3771      0.00000
    109      -1.2853      0.00000
    110      -1.1738      0.00000
    111      -1.0783      0.00000
    112      -0.8949      0.00000
    113      -0.7682      0.00000
    114      -0.7581      0.00000
    115      -0.2155      0.00000
    116       0.1167      0.00000
    117       0.2672      0.00000
    118       0.3459      0.00000
    119       0.7327      0.00000
    120       0.9025      0.00000
    121       0.9704      0.00000
    122       1.0952      0.00000
    123       1.2077      0.00000
    124       1.5291      0.00000
    125       1.5634      0.00000
    126       1.7183      0.00000
    127       1.8369      0.00000
    128       1.8601      0.00000
    129       1.9662      0.00000
    130       2.0006      0.00000
    131       2.1549      0.00000
    132       2.2654      0.00000
    133       2.4527      0.00000
    134       2.4721      0.00000
    135       2.5100      0.00000
    136       2.6684      0.00000
    137       2.6881      0.00000
    138       2.7307      0.00000
    139       2.7512      0.00000
    140       2.8910      0.00000
    141       3.0205      0.00000
    142       3.0810      0.00000
    143       3.2033      0.00000
    144       3.2628      0.00000
    145       3.2634      0.00000
    146       3.2660      0.00000
    147       3.3711      0.00000
    148       3.4776      0.00000
    149       3.5318      0.00000
    150       3.6959      0.00000
    151       3.7533      0.00000
    152       3.7682      0.00000
    153       3.8329      0.00000
    154       3.8810      0.00000
    155       3.9417      0.00000
    156       3.9900      0.00000
    157       4.0237      0.00000
    158       4.0512      0.00000
    159       4.0657      0.00000
    160       4.1298      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1416      1.00000
      2     -22.0459      1.00000
      3     -21.8857      1.00000
      4     -21.3336      1.00000
      5     -20.9813      1.00000
      6     -20.9427      1.00000
      7     -20.4329      1.00000
      8     -20.3900      1.00000
      9     -20.2267      1.00000
     10     -20.2051      1.00000
     11     -19.8879      1.00000
     12     -19.8198      1.00000
     13     -18.8134      1.00000
     14     -18.7416      1.00000
     15     -18.2911      1.00000
     16     -18.2369      1.00000
     17     -18.0863      1.00000
     18     -18.0640      1.00000
     19     -17.7627      1.00000
     20     -17.7191      1.00000
     21     -17.1909      1.00000
     22     -17.1652      1.00000
     23     -17.1018      1.00000
     24     -17.0614      1.00000
     25     -16.0383      1.00000
     26     -15.8206      1.00000
     27     -15.7991      1.00000
     28     -15.7619      1.00000
     29     -15.1751      1.00000
     30     -14.4887      1.00000
     31     -14.4564      1.00000
     32     -14.2189      1.00000
     33     -13.8988      1.00000
     34     -13.8898      1.00000
     35     -13.7581      1.00000
     36     -13.7343      1.00000
     37     -13.5519      1.00000
     38     -13.5017      1.00000
     39     -13.2998      1.00000
     40     -12.5646      1.00000
     41     -12.1249      1.00000
     42     -12.0645      1.00000
     43     -12.0081      1.00000
     44     -11.9490      1.00000
     45     -11.6143      1.00000
     46     -11.5908      1.00000
     47     -11.0833      1.00000
     48     -11.0500      1.00000
     49     -10.7511      1.00000
     50     -10.6593      1.00000
     51     -10.5278      1.00000
     52     -10.1563      1.00000
     53     -10.1352      1.00000
     54     -10.0958      1.00000
     55      -9.9564      1.00000
     56      -9.9478      1.00000
     57      -9.9160      1.00000
     58      -9.7404      1.00000
     59      -9.7332      1.00000
     60      -9.6977      1.00000
     61      -9.6920      1.00000
     62      -9.4294      1.00000
     63      -9.3594      1.00000
     64      -9.0876      1.00000
     65      -9.0129      1.00000
     66      -8.9717      1.00000
     67      -8.8864      1.00000
     68      -8.8109      1.00000
     69      -8.6600      1.00000
     70      -8.6392      1.00000
     71      -8.5797      1.00000
     72      -8.4746      1.00000
     73      -8.4632      1.00000
     74      -8.4002      1.00000
     75      -8.3927      1.00000
     76      -8.1831      1.00000
     77      -8.1158      1.00000
     78      -7.9771      1.00000
     79      -7.9174      1.00000
     80      -7.8483      1.00000
     81      -7.6182      1.00000
     82      -7.5291      1.00000
     83      -7.4665      1.00000
     84      -7.2506      1.00000
     85      -6.9375      1.00000
     86      -6.8607      1.00000
     87      -6.8133      1.00000
     88      -6.5751      1.00000
     89      -6.4649      1.00000
     90      -6.4168      1.00000
     91      -6.3553      1.00000
     92      -6.0532      1.00000
     93      -5.8788      1.00000
     94      -5.7523      1.00000
     95      -5.7228      1.00000
     96      -5.4776      1.00000
     97      -5.3470      1.00000
     98      -5.1808      1.00000
     99      -5.1577      1.00000
    100      -5.1531      1.00000
    101      -4.7072      1.00000
    102      -4.4417      1.00000
    103      -4.2570      1.00000
    104      -3.9971      1.00000
    105      -3.8329      1.00000
    106      -3.1547      1.00000
    107      -2.4636      0.00000
    108      -1.3802      0.00000
    109      -1.2400      0.00000
    110      -1.1469      0.00000
    111      -1.1134      0.00000
    112      -0.5635      0.00000
    113      -0.4344      0.00000
    114      -0.4296      0.00000
    115      -0.3077      0.00000
    116      -0.1899      0.00000
    117       0.0609      0.00000
    118       0.1170      0.00000
    119       0.5415      0.00000
    120       0.6838      0.00000
    121       0.8714      0.00000
    122       0.9670      0.00000
    123       1.1098      0.00000
    124       1.4975      0.00000
    125       1.6662      0.00000
    126       1.7971      0.00000
    127       1.8787      0.00000
    128       2.0926      0.00000
    129       2.1300      0.00000
    130       2.1996      0.00000
    131       2.2167      0.00000
    132       2.3402      0.00000
    133       2.3629      0.00000
    134       2.4880      0.00000
    135       2.5833      0.00000
    136       2.6681      0.00000
    137       2.8771      0.00000
    138       2.9359      0.00000
    139       2.9670      0.00000
    140       2.9982      0.00000
    141       3.0539      0.00000
    142       3.1499      0.00000
    143       3.1873      0.00000
    144       3.2581      0.00000
    145       3.2909      0.00000
    146       3.3297      0.00000
    147       3.3521      0.00000
    148       3.3787      0.00000
    149       3.3953      0.00000
    150       3.4948      0.00000
    151       3.5515      0.00000
    152       3.6321      0.00000
    153       3.6966      0.00000
    154       3.7075      0.00000
    155       3.7265      0.00000
    156       3.9194      0.00000
    157       3.9461      0.00000
    158       4.0593      0.00000
    159       4.0894      0.00000
    160       4.2003      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2471      1.00000
      2     -21.8946      1.00000
      3     -21.8206      1.00000
      4     -21.3159      1.00000
      5     -21.2770      1.00000
      6     -20.7707      1.00000
      7     -20.7011      1.00000
      8     -20.5532      1.00000
      9     -20.0231      1.00000
     10     -19.9903      1.00000
     11     -19.6496      1.00000
     12     -19.6179      1.00000
     13     -18.9436      1.00000
     14     -18.9079      1.00000
     15     -18.5850      1.00000
     16     -18.5472      1.00000
     17     -18.3900      1.00000
     18     -17.6018      1.00000
     19     -17.5669      1.00000
     20     -17.5396      1.00000
     21     -17.5059      1.00000
     22     -17.0756      1.00000
     23     -17.0269      1.00000
     24     -16.9020      1.00000
     25     -15.9474      1.00000
     26     -15.8514      1.00000
     27     -15.5318      1.00000
     28     -15.5057      1.00000
     29     -15.2083      1.00000
     30     -14.8138      1.00000
     31     -14.7609      1.00000
     32     -14.5075      1.00000
     33     -14.4653      1.00000
     34     -14.0993      1.00000
     35     -14.0938      1.00000
     36     -13.1050      1.00000
     37     -13.0278      1.00000
     38     -12.9532      1.00000
     39     -12.9478      1.00000
     40     -12.6541      1.00000
     41     -12.6249      1.00000
     42     -12.2747      1.00000
     43     -12.2484      1.00000
     44     -11.5765      1.00000
     45     -11.5550      1.00000
     46     -11.5008      1.00000
     47     -10.8775      1.00000
     48     -10.8732      1.00000
     49     -10.6845      1.00000
     50     -10.5238      1.00000
     51     -10.5188      1.00000
     52     -10.4386      1.00000
     53     -10.4142      1.00000
     54     -10.3689      1.00000
     55     -10.2832      1.00000
     56     -10.0610      1.00000
     57      -9.8312      1.00000
     58      -9.5561      1.00000
     59      -9.4794      1.00000
     60      -9.4446      1.00000
     61      -9.3647      1.00000
     62      -9.3339      1.00000
     63      -9.3031      1.00000
     64      -9.2995      1.00000
     65      -9.2064      1.00000
     66      -9.1018      1.00000
     67      -9.0706      1.00000
     68      -9.0503      1.00000
     69      -8.8532      1.00000
     70      -8.8056      1.00000
     71      -8.7746      1.00000
     72      -8.5257      1.00000
     73      -8.4982      1.00000
     74      -8.2299      1.00000
     75      -8.1353      1.00000
     76      -8.0906      1.00000
     77      -7.8045      1.00000
     78      -7.7641      1.00000
     79      -7.7380      1.00000
     80      -7.7053      1.00000
     81      -7.6325      1.00000
     82      -7.6243      1.00000
     83      -7.3871      1.00000
     84      -7.3421      1.00000
     85      -7.2161      1.00000
     86      -6.8433      1.00000
     87      -6.8227      1.00000
     88      -6.6401      1.00000
     89      -6.5299      1.00000
     90      -6.3379      1.00000
     91      -6.2743      1.00000
     92      -6.1963      1.00000
     93      -6.1343      1.00000
     94      -6.0210      1.00000
     95      -5.6377      1.00000
     96      -5.5091      1.00000
     97      -5.2962      1.00000
     98      -5.1545      1.00000
     99      -5.0412      1.00000
    100      -4.7265      1.00000
    101      -4.6866      1.00000
    102      -4.3693      1.00000
    103      -4.1864      1.00000
    104      -4.0103      1.00000
    105      -3.8323      1.00000
    106      -3.4849      1.00000
    107      -2.1635      0.00000
    108      -1.3846      0.00000
    109      -1.2354      0.00000
    110      -1.1839      0.00000
    111      -1.0153      0.00000
    112      -0.9532      0.00000
    113      -0.7968      0.00000
    114      -0.7512      0.00000
    115      -0.3640      0.00000
    116       0.2434      0.00000
    117       0.2754      0.00000
    118       0.3647      0.00000
    119       0.6996      0.00000
    120       0.8703      0.00000
    121       0.9653      0.00000
    122       1.1274      0.00000
    123       1.2335      0.00000
    124       1.4582      0.00000
    125       1.5551      0.00000
    126       1.7821      0.00000
    127       1.8529      0.00000
    128       1.8850      0.00000
    129       1.9831      0.00000
    130       2.0293      0.00000
    131       2.1958      0.00000
    132       2.2126      0.00000
    133       2.4034      0.00000
    134       2.4458      0.00000
    135       2.5637      0.00000
    136       2.6566      0.00000
    137       2.6839      0.00000
    138       2.7265      0.00000
    139       2.7727      0.00000
    140       2.8619      0.00000
    141       2.9677      0.00000
    142       3.0846      0.00000
    143       3.1929      0.00000
    144       3.2433      0.00000
    145       3.2574      0.00000
    146       3.2962      0.00000
    147       3.3383      0.00000
    148       3.4834      0.00000
    149       3.5056      0.00000
    150       3.7026      0.00000
    151       3.7210      0.00000
    152       3.7699      0.00000
    153       3.8591      0.00000
    154       3.8764      0.00000
    155       3.9041      0.00000
    156       3.9985      0.00000
    157       4.0019      0.00000
    158       4.0570      0.00000
    159       4.0779      0.00000
    160       4.1348      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3191      1.00000
      2     -21.7606      1.00000
      3     -21.5672      1.00000
      4     -21.5406      1.00000
      5     -21.2045      1.00000
      6     -21.1658      1.00000
      7     -20.9840      1.00000
      8     -20.0973      1.00000
      9     -20.0587      1.00000
     10     -19.5480      1.00000
     11     -19.5275      1.00000
     12     -19.3419      1.00000
     13     -19.0275      1.00000
     14     -18.9886      1.00000
     15     -18.9773      1.00000
     16     -18.9704      1.00000
     17     -18.2967      1.00000
     18     -18.2830      1.00000
     19     -17.9421      1.00000
     20     -16.9975      1.00000
     21     -16.9561      1.00000
     22     -16.8823      1.00000
     23     -16.8697      1.00000
     24     -16.4197      1.00000
     25     -16.3969      1.00000
     26     -15.5429      1.00000
     27     -15.5395      1.00000
     28     -15.1707      1.00000
     29     -15.1695      1.00000
     30     -15.1270      1.00000
     31     -15.0331      1.00000
     32     -14.9980      1.00000
     33     -14.6358      1.00000
     34     -14.6288      1.00000
     35     -13.6645      1.00000
     36     -13.6545      1.00000
     37     -13.1652      1.00000
     38     -12.5714      1.00000
     39     -12.5109      1.00000
     40     -12.3825      1.00000
     41     -12.3821      1.00000
     42     -12.0354      1.00000
     43     -12.0312      1.00000
     44     -11.6616      1.00000
     45     -11.6210      1.00000
     46     -11.2090      1.00000
     47     -11.1591      1.00000
     48     -10.9516      1.00000
     49     -10.9376      1.00000
     50     -10.8639      1.00000
     51     -10.8312      1.00000
     52     -10.6269      1.00000
     53     -10.1460      1.00000
     54     -10.0819      1.00000
     55     -10.0200      1.00000
     56      -9.9439      1.00000
     57      -9.6301      1.00000
     58      -9.6273      1.00000
     59      -9.6017      1.00000
     60      -9.5436      1.00000
     61      -9.5065      1.00000
     62      -9.4797      1.00000
     63      -9.2718      1.00000
     64      -9.2300      1.00000
     65      -9.2039      1.00000
     66      -9.1890      1.00000
     67      -9.0620      1.00000
     68      -9.0423      1.00000
     69      -9.0389      1.00000
     70      -8.8758      1.00000
     71      -8.8180      1.00000
     72      -8.5410      1.00000
     73      -8.5365      1.00000
     74      -8.5070      1.00000
     75      -8.0236      1.00000
     76      -7.8372      1.00000
     77      -7.8014      1.00000
     78      -7.7761      1.00000
     79      -7.6986      1.00000
     80      -7.6800      1.00000
     81      -7.4106      1.00000
     82      -7.2849      1.00000
     83      -7.2474      1.00000
     84      -7.2037      1.00000
     85      -7.0807      1.00000
     86      -7.0735      1.00000
     87      -6.9454      1.00000
     88      -6.7115      1.00000
     89      -6.6751      1.00000
     90      -6.6297      1.00000
     91      -6.5557      1.00000
     92      -6.0684      1.00000
     93      -6.0282      1.00000
     94      -6.0062      1.00000
     95      -5.9403      1.00000
     96      -5.7992      1.00000
     97      -5.1834      1.00000
     98      -4.8960      1.00000
     99      -4.7945      1.00000
    100      -4.6088      1.00000
    101      -4.5127      1.00000
    102      -4.1419      1.00000
    103      -4.0919      1.00000
    104      -3.9324      1.00000
    105      -3.9176      1.00000
    106      -3.8313      1.00000
    107      -1.7513      0.00000
    108      -1.6951      0.00000
    109      -1.4114      0.00000
    110      -1.3708      0.00000
    111      -1.2650      0.00000
    112      -1.2341      0.00000
    113      -0.6230      0.00000
    114      -0.5944      0.00000
    115      -0.1925      0.00000
    116       0.0427      0.00000
    117       0.5826      0.00000
    118       0.7384      0.00000
    119       0.8486      0.00000
    120       0.9297      0.00000
    121       1.1687      0.00000
    122       1.2121      0.00000
    123       1.2493      0.00000
    124       1.4181      0.00000
    125       1.6013      0.00000
    126       1.6379      0.00000
    127       1.7024      0.00000
    128       1.8084      0.00000
    129       1.9224      0.00000
    130       1.9389      0.00000
    131       2.1474      0.00000
    132       2.1702      0.00000
    133       2.2584      0.00000
    134       2.2952      0.00000
    135       2.5499      0.00000
    136       2.5597      0.00000
    137       2.6361      0.00000
    138       2.7609      0.00000
    139       2.8132      0.00000
    140       2.8524      0.00000
    141       2.8937      0.00000
    142       2.9482      0.00000
    143       3.0189      0.00000
    144       3.0248      0.00000
    145       3.0808      0.00000
    146       3.3114      0.00000
    147       3.3755      0.00000
    148       3.4201      0.00000
    149       3.4854      0.00000
    150       3.5977      0.00000
    151       3.6609      0.00000
    152       3.6698      0.00000
    153       3.6845      0.00000
    154       3.9028      0.00000
    155       3.9728      0.00000
    156       4.0243      0.00000
    157       4.0722      0.00000
    158       4.2515      0.00000
    159       4.2581      0.00000
    160       4.2678      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1404      1.00000
      2     -22.0473      1.00000
      3     -21.8856      1.00000
      4     -21.3356      1.00000
      5     -20.9758      1.00000
      6     -20.9463      1.00000
      7     -20.4276      1.00000
      8     -20.3955      1.00000
      9     -20.2140      1.00000
     10     -20.2118      1.00000
     11     -19.8888      1.00000
     12     -19.8249      1.00000
     13     -18.8198      1.00000
     14     -18.7487      1.00000
     15     -18.2627      1.00000
     16     -18.2492      1.00000
     17     -18.0799      1.00000
     18     -18.0731      1.00000
     19     -17.7432      1.00000
     20     -17.7280      1.00000
     21     -17.1967      1.00000
     22     -17.1727      1.00000
     23     -17.0829      1.00000
     24     -17.0714      1.00000
     25     -16.0516      1.00000
     26     -15.8099      1.00000
     27     -15.8005      1.00000
     28     -15.7818      1.00000
     29     -15.1553      1.00000
     30     -14.4891      1.00000
     31     -14.4676      1.00000
     32     -14.2014      1.00000
     33     -13.9129      1.00000
     34     -13.8822      1.00000
     35     -13.7578      1.00000
     36     -13.7372      1.00000
     37     -13.5364      1.00000
     38     -13.5108      1.00000
     39     -13.2998      1.00000
     40     -12.5748      1.00000
     41     -12.1026      1.00000
     42     -12.0788      1.00000
     43     -12.0015      1.00000
     44     -11.9538      1.00000
     45     -11.5997      1.00000
     46     -11.5914      1.00000
     47     -11.0890      1.00000
     48     -11.0650      1.00000
     49     -10.7396      1.00000
     50     -10.6717      1.00000
     51     -10.5627      1.00000
     52     -10.1348      1.00000
     53     -10.1303      1.00000
     54     -10.0999      1.00000
     55      -9.9640      1.00000
     56      -9.9216      1.00000
     57      -9.9197      1.00000
     58      -9.7489      1.00000
     59      -9.7240      1.00000
     60      -9.6962      1.00000
     61      -9.6961      1.00000
     62      -9.4030      1.00000
     63      -9.3988      1.00000
     64      -9.0703      1.00000
     65      -8.9795      1.00000
     66      -8.9778      1.00000
     67      -8.9090      1.00000
     68      -8.8115      1.00000
     69      -8.6466      1.00000
     70      -8.6286      1.00000
     71      -8.5501      1.00000
     72      -8.5099      1.00000
     73      -8.4906      1.00000
     74      -8.3933      1.00000
     75      -8.3815      1.00000
     76      -8.2099      1.00000
     77      -8.1029      1.00000
     78      -8.0055      1.00000
     79      -7.9008      1.00000
     80      -7.8415      1.00000
     81      -7.6223      1.00000
     82      -7.5348      1.00000
     83      -7.4611      1.00000
     84      -7.2482      1.00000
     85      -6.9375      1.00000
     86      -6.8636      1.00000
     87      -6.8040      1.00000
     88      -6.4797      1.00000
     89      -6.4742      1.00000
     90      -6.4147      1.00000
     91      -6.3615      1.00000
     92      -6.1934      1.00000
     93      -5.8571      1.00000
     94      -5.7366      1.00000
     95      -5.7107      1.00000
     96      -5.5237      1.00000
     97      -5.3293      1.00000
     98      -5.1695      1.00000
     99      -5.1667      1.00000
    100      -5.1344      1.00000
    101      -4.6975      1.00000
    102      -4.3497      1.00000
    103      -4.2829      1.00000
    104      -4.0308      1.00000
    105      -3.8338      1.00000
    106      -3.2351      1.00000
    107      -2.4030      0.00000
    108      -1.3468      0.00000
    109      -1.2405      0.00000
    110      -1.1526      0.00000
    111      -1.1095      0.00000
    112      -0.5830      0.00000
    113      -0.5218      0.00000
    114      -0.4334      0.00000
    115      -0.2771      0.00000
    116      -0.0682      0.00000
    117      -0.0097      0.00000
    118       0.0622      0.00000
    119       0.5819      0.00000
    120       0.7097      0.00000
    121       0.8107      0.00000
    122       0.9423      0.00000
    123       1.1812      0.00000
    124       1.5113      0.00000
    125       1.6227      0.00000
    126       1.8526      0.00000
    127       2.0055      0.00000
    128       2.0509      0.00000
    129       2.1153      0.00000
    130       2.1558      0.00000
    131       2.2546      0.00000
    132       2.2848      0.00000
    133       2.3451      0.00000
    134       2.4672      0.00000
    135       2.6127      0.00000
    136       2.7000      0.00000
    137       2.8218      0.00000
    138       2.9188      0.00000
    139       2.9453      0.00000
    140       3.0371      0.00000
    141       3.0534      0.00000
    142       3.1551      0.00000
    143       3.1657      0.00000
    144       3.2263      0.00000
    145       3.2972      0.00000
    146       3.3125      0.00000
    147       3.3520      0.00000
    148       3.3714      0.00000
    149       3.4166      0.00000
    150       3.4433      0.00000
    151       3.5432      0.00000
    152       3.6108      0.00000
    153       3.7042      0.00000
    154       3.7360      0.00000
    155       3.8466      0.00000
    156       3.9075      0.00000
    157       3.9297      0.00000
    158       3.9585      0.00000
    159       4.1427      0.00000
    160       4.1761      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2130      1.00000
      2     -22.0076      1.00000
      3     -21.6460      1.00000
      4     -21.6152      1.00000
      5     -20.9093      1.00000
      6     -20.8688      1.00000
      7     -20.5382      1.00000
      8     -20.5048      1.00000
      9     -20.4992      1.00000
     10     -19.9601      1.00000
     11     -19.4428      1.00000
     12     -19.4204      1.00000
     13     -19.2416      1.00000
     14     -19.2342      1.00000
     15     -18.3737      1.00000
     16     -18.3388      1.00000
     17     -17.8596      1.00000
     18     -17.8432      1.00000
     19     -17.6884      1.00000
     20     -17.6526      1.00000
     21     -17.3728      1.00000
     22     -17.3583      1.00000
     23     -17.2620      1.00000
     24     -16.4178      1.00000
     25     -16.3941      1.00000
     26     -15.9017      1.00000
     27     -15.3463      1.00000
     28     -15.3414      1.00000
     29     -15.0339      1.00000
     30     -15.0241      1.00000
     31     -14.7731      1.00000
     32     -14.7713      1.00000
     33     -14.2345      1.00000
     34     -14.1836      1.00000
     35     -13.3849      1.00000
     36     -13.3301      1.00000
     37     -13.1125      1.00000
     38     -13.1042      1.00000
     39     -12.9160      1.00000
     40     -12.9100      1.00000
     41     -12.5462      1.00000
     42     -12.5383      1.00000
     43     -12.1273      1.00000
     44     -11.5202      1.00000
     45     -11.4754      1.00000
     46     -11.2501      1.00000
     47     -11.2182      1.00000
     48     -11.0803      1.00000
     49     -10.7109      1.00000
     50     -10.5988      1.00000
     51     -10.5111      1.00000
     52     -10.2465      1.00000
     53     -10.2428      1.00000
     54     -10.1217      1.00000
     55     -10.0579      1.00000
     56     -10.0418      1.00000
     57      -9.7852      1.00000
     58      -9.6831      1.00000
     59      -9.6702      1.00000
     60      -9.6335      1.00000
     61      -9.6237      1.00000
     62      -9.5856      1.00000
     63      -9.2926      1.00000
     64      -9.2797      1.00000
     65      -9.2629      1.00000
     66      -9.0682      1.00000
     67      -8.8911      1.00000
     68      -8.8801      1.00000
     69      -8.7183      1.00000
     70      -8.5838      1.00000
     71      -8.5353      1.00000
     72      -8.3502      1.00000
     73      -8.3052      1.00000
     74      -8.2433      1.00000
     75      -8.2350      1.00000
     76      -8.1974      1.00000
     77      -8.1838      1.00000
     78      -8.1743      1.00000
     79      -8.1117      1.00000
     80      -7.6888      1.00000
     81      -7.4145      1.00000
     82      -7.3405      1.00000
     83      -7.2537      1.00000
     84      -7.1619      1.00000
     85      -7.1109      1.00000
     86      -7.0040      1.00000
     87      -6.9053      1.00000
     88      -6.8476      1.00000
     89      -6.5496      1.00000
     90      -6.4912      1.00000
     91      -6.2153      1.00000
     92      -6.2092      1.00000
     93      -5.8929      1.00000
     94      -5.6745      1.00000
     95      -5.6082      1.00000
     96      -5.5809      1.00000
     97      -5.2512      1.00000
     98      -5.2301      1.00000
     99      -5.1637      1.00000
    100      -5.1342      1.00000
    101      -4.6006      1.00000
    102      -4.2526      1.00000
    103      -4.0474      1.00000
    104      -3.8866      1.00000
    105      -3.8457      1.00000
    106      -3.8030      1.00000
    107      -1.8064      0.00000
    108      -1.7789      0.00000
    109      -1.2267      0.00000
    110      -1.1725      0.00000
    111      -0.9753      0.00000
    112      -0.7358      0.00000
    113      -0.6500      0.00000
    114      -0.5951      0.00000
    115      -0.5480      0.00000
    116      -0.1499      0.00000
    117       0.1770      0.00000
    118       0.2896      0.00000
    119       0.7051      0.00000
    120       0.9481      0.00000
    121       1.1666      0.00000
    122       1.2767      0.00000
    123       1.3450      0.00000
    124       1.5130      0.00000
    125       1.6058      0.00000
    126       1.6266      0.00000
    127       1.6901      0.00000
    128       1.7788      0.00000
    129       1.8561      0.00000
    130       2.0792      0.00000
    131       2.1672      0.00000
    132       2.3166      0.00000
    133       2.3928      0.00000
    134       2.4252      0.00000
    135       2.5607      0.00000
    136       2.6227      0.00000
    137       2.6854      0.00000
    138       2.7527      0.00000
    139       2.8216      0.00000
    140       2.9152      0.00000
    141       3.0598      0.00000
    142       3.0665      0.00000
    143       3.1829      0.00000
    144       3.2778      0.00000
    145       3.3763      0.00000
    146       3.4121      0.00000
    147       3.4617      0.00000
    148       3.5564      0.00000
    149       3.5737      0.00000
    150       3.6258      0.00000
    151       3.6592      0.00000
    152       3.7002      0.00000
    153       3.7855      0.00000
    154       3.8010      0.00000
    155       3.8225      0.00000
    156       3.8943      0.00000
    157       3.8986      0.00000
    158       3.9774      0.00000
    159       4.1944      0.00000
    160       4.2352      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0400   -7.2577    3.9851   -1.1342   -0.1862   17.3778    0.4868   -0.8144    0.7724   -0.4787
x    -3.1237   -0.0257   -0.0218   -0.0248    0.0900   -3.0536    0.0301   -0.0244    0.0085    0.0018
x    -0.0952   -0.0028    0.0035   -0.0031    0.0021   -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    0.0616    0.0188
y     0.0230   -3.2426   -0.1790    0.1691   -2.4143   -0.6648
z   204.0400    1.7471    0.2954    0.0870    0.0011    0.0710   -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    0.0986    0.0006   -0.0010   -0.0001   -0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0012   -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  -16.5917
z     0.1397    0.2355   -0.0282    0.0577   -0.0956    0.0006
 total charge-density along one line
x   212.0000  -10.0887    5.9317   -1.9431   -0.4218   19.2977   -0.6630    0.2080    0.0674   -0.1083
x    -2.7033   -0.0094    0.0004   -0.0434    0.0954   -2.3440    0.0476   -0.0345    0.0119    0.0025
x    -0.0854   -0.0052    0.0082   -0.0080    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  -10.0887    5.9317   -1.9431   -0.4218   19.2977   -0.6630    0.2080    0.0674   -0.1083
y    -2.7033   -0.0094    0.0004   -0.0434    0.0954   -2.3440    0.0476   -0.0345    0.0119    0.0025
y    -0.0854   -0.0052    0.0082   -0.0080    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 -205.3412  188.9558 -170.2212  154.0223 -140.2176  126.2557 -110.7901   94.5673  -78.9522
z    64.6294  -51.7204   40.4784  -31.3861   24.6181  -19.6806   15.7155  -12.1243    8.8610   -6.1890
z     4.2557   -2.9242    1.9357   -1.1380    0.5319   -0.1477   -0.0648    0.2138   -0.3660    0.4996
z    -0.5562    0.5199   -0.4369    0.3677   -0.3341    0.3151   -0.2837    0.2366   -0.1899    0.1566
z    -0.1346    0.1145   -0.0922    0.0716   -0.0576    0.0499   -0.0441    0.0370   -0.0296    0.0239
z    -0.0207    0.0185   -0.0159    0.0129   -0.0103    0.0084   -0.0068    0.0053   -0.0039    0.0028
z    -0.0020    0.0012   -0.0004   -0.0002    0.0004   -0.0004    0.0004   -0.0006    0.0007   -0.0007
z     0.0004   -0.0002    0.0001    0.0000    0.0000    0.0001   -0.0002    0.0003   -0.0003    0.0003
z    -0.0003    0.0002   -0.0002    0.0001   -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0000   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.941   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.270   0.000  -0.100   0.000   0.000   0.239   0.000
  0.041   0.000 -11.247   0.000  -0.024  -0.006   0.000   0.238
  0.000  -0.100   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  -0.100   0.000   0.000   0.239   0.000
  0.041   0.000 -11.247   0.000  -0.024  -0.006   0.000   0.238
  0.000  -0.100   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  -0.026   0.000   0.002   0.021   0.000   0.057   0.000  -0.014  -0.025   0.025   0.000  -0.001   0.000   0.000
  0.000   1.587   0.000  -0.145   0.000   0.000   0.593   0.000   0.258   0.000   0.000   0.000   0.159   0.000   0.106  -0.035
 -0.026   0.000   1.788   0.000   0.018   0.043   0.000   0.357   0.000  -0.026  -0.233  -0.044   0.000   0.095   0.000   0.000
  0.000  -0.145   0.000   1.755   0.000   0.000   0.258   0.000   0.296   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   0.190  -0.052   0.000   0.115   0.000   0.000
  0.000   0.593   0.000   0.258   0.000   0.000   0.328   0.000   0.105   0.000   0.000   0.000   0.056   0.000   0.065  -0.011
  0.057   0.000   0.357   0.000  -0.035   0.101   0.000   0.569   0.000  -0.057   0.705  -0.295   0.000   0.088   0.000   0.000
  0.000   0.258   0.000   0.296   0.000   0.000   0.105   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  -0.057   0.000   0.036  -0.108   0.030   0.000  -0.068   0.000   0.000
 -0.025   0.000  -0.233   0.000   0.010   0.190   0.000   0.705   0.000  -0.108   1.351  -0.433   0.000   0.264   0.000   0.000
  0.025   0.000  -0.044   0.000  -0.015  -0.052   0.000  -0.295   0.000   0.030  -0.433   0.193   0.000  -0.033   0.000   0.000
  0.000   0.159   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   0.115   0.000   0.088   0.000  -0.068   0.264  -0.033   0.000   0.312   0.000   0.000
  0.000   0.106   0.000   0.038   0.000   0.000   0.065   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  -0.036   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  -0.040   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   2.646
  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   2.646
 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   2.646
 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       44.830  89.433   8.026 142.289
 


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


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


    CHARGE:  VPU time  112.75: CPU time   57.04
    FORLOC:  VPU time    1.26: CPU time    1.26
    FORNL :  VPU time  455.04: CPU time  228.39
    STRESS:  VPU time 1333.85: CPU time  671.37
    FORCOR:  VPU time    8.58: CPU time    8.58
    FORHAR:  VPU time    2.25: CPU time    2.26
    MIXING:  VPU time    0.19: CPU time    0.19
 d Force = 0.4361755E-01[ 0.222E-02, 0.850E-01]  d Energy = 0.5230089E-01-0.868E-02
 d Force =-0.1784947E+01[-0.198E+01,-0.159E+01]  d Ewald  =-0.1281693E+02 0.110E+02


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.644553 eV

  energy  without entropy=     -471.644553  energy(sigma->0) =     -471.644553
 

  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    40724.00  40740.69 -47423.33     14.45      0.00      0.00
  Hartree  40191.11  40194.22 -39443.73      2.69      0.00      0.00
  E(xc)     -779.74   -779.54   -807.26      0.18      0.00      0.00
  Local   -83208.50 -83222.04  84184.59    -11.73      0.00      0.00
  n-local   -215.83   -215.57   -203.80     -0.03      0.00      0.00
  augment     22.10     20.54     17.34     -1.35      0.00      0.00
  Kinetic   3169.24   3170.85   3582.05     -7.06      0.00      0.00
  -------------------------------------------------------------------------------------
  Total        0.09     -0.68     -0.20     -0.67      0.00      0.00
  in kB        0.05     -0.42     -0.12     -0.41      0.00      0.00
  external pressure =       -0.16 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.345659159  0.005275423  0.000000000     0.080980172  0.046707866  0.000000000
    -6.168267572 10.694287994  0.000000000    -0.000039947  0.093484821  0.000000000
     0.000000000  0.000000000 19.976149719     0.000000000  0.000000000  0.050059697

  length of vectors
    12.345660286 12.345659988 19.976149719     0.093484827  0.093484829  0.050059697


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.350E-05 -.463E-04 -.961E+03   0.438E-05 -.275E-04 0.969E+03   0.123E-23 0.123E-23 -.782E+01   -.112E-06 0.636E-07 0.463E-02
   -.175E+02 -.303E+02 -.136E+03   0.183E+02 0.318E+02 0.139E+03   -.826E+00 -.143E+01 -.258E+01   -.147E-03 -.255E-03 -.720E-03
   0.175E+02 0.303E+02 -.136E+03   -.183E+02 -.318E+02 0.139E+03   0.826E+00 0.143E+01 -.258E+01   0.147E-03 0.255E-03 -.720E-03
   -.188E+01 0.109E+01 0.178E+02   0.190E+01 -.110E+01 -.178E+02   -.389E-02 0.225E-02 -.366E-02   0.607E-03 -.353E-03 0.510E-03
   0.588E+01 0.683E+01 0.202E+02   -.588E+01 -.687E+01 -.202E+02   0.991E-02 0.306E-01 -.211E-01   0.193E-02 -.145E-02 0.674E-03
   0.113E+02 0.503E+01 0.186E+02   -.113E+02 -.505E+01 -.185E+02   0.283E-01 0.737E-02 -.540E-01   0.202E-02 -.318E-02 0.207E-03
   0.460E+01 -.106E+01 0.163E+02   -.461E+01 0.107E+01 -.163E+02   0.237E-01 -.186E-01 -.125E-02   0.782E-03 -.906E-03 -.194E-03
   -.285E+01 -.246E+01 0.154E+02   0.287E+01 0.247E+01 -.155E+02   -.100E-01 -.171E-01 0.285E-02   0.415E-03 0.831E-03 0.668E-04
   0.704E+00 0.369E+01 0.154E+02   -.704E+00 -.372E+01 -.155E+02   0.978E-02 0.172E-01 0.285E-02   -.518E-03 -.781E-03 0.632E-04
   0.282E+01 0.182E+02 0.249E+02   -.282E+01 -.183E+02 -.249E+02   0.141E-01 0.105E+00 -.705E-02   -.768E-03 -.782E-03 0.624E-03
   0.215E+02 0.226E+02 0.397E+02   -.216E+02 -.228E+02 -.397E+02   0.120E+00 0.228E+00 -.150E-01   0.192E-02 -.345E-02 0.753E-03
   0.266E+02 -.456E+01 0.265E+02   -.268E+02 0.468E+01 -.264E+02   0.242E+00 -.121E+00 -.569E-01   0.136E-02 -.257E-02 -.225E-03
   0.927E+01 -.535E+01 0.155E+02   -.928E+01 0.536E+01 -.155E+02   0.215E-01 -.124E-01 0.599E-02   -.272E-03 0.151E-03 -.343E-03
   0.322E+01 -.345E+01 0.163E+02   -.324E+01 0.346E+01 -.163E+02   0.279E-01 -.112E-01 -.125E-02   0.117E-02 -.228E-03 -.202E-03
   -.598E+01 0.132E+02 0.198E+02   0.600E+01 -.132E+02 -.198E+02   0.277E-03 0.731E-01 -.116E-01   0.297E-03 -.235E-02 -.145E-03
   -.122E+02 0.335E+02 0.454E+02   0.123E+02 -.342E+02 -.458E+02   -.863E-01 0.680E+00 0.350E+00   -.201E-02 -.396E-03 0.357E-03
   0.266E+02 -.154E+02 0.687E+02   -.276E+02 0.159E+02 -.708E+02   0.983E+00 -.568E+00 0.210E+01   0.332E-02 -.192E-02 0.110E-02
   0.173E+02 -.208E+02 0.265E+02   -.175E+02 0.209E+02 -.264E+02   0.226E+00 -.149E+00 -.569E-01   0.290E-02 0.104E-03 -.230E-03
   0.130E+01 -.123E+02 0.186E+02   -.130E+01 0.123E+02 -.185E+02   0.777E-02 -.282E-01 -.540E-01   0.377E-02 -.161E-03 0.202E-03
   -.382E+01 0.151E+01 0.145E+02   0.383E+01 -.151E+01 -.144E+02   -.161E-02 0.112E-02 -.433E-01   0.305E-02 -.162E-02 -.212E-03
   -.181E+02 0.105E+02 0.206E+02   0.182E+02 -.105E+02 -.205E+02   -.605E-01 0.350E-01 -.128E+00   0.242E-02 -.139E-02 -.537E-03
   -.351E+02 -.618E+01 0.454E+02   0.357E+02 0.644E+01 -.458E+02   -.632E+00 -.265E+00 0.350E+00   -.659E-03 0.194E-02 0.360E-03
   -.879E+01 -.299E+02 0.397E+02   0.893E+01 0.301E+02 -.397E+02   -.137E+00 -.217E+00 -.150E-01   0.395E-02 0.522E-04 0.751E-03
   -.298E+01 -.851E+01 0.202E+02   0.301E+01 0.853E+01 -.202E+02   -.215E-01 -.239E-01 -.211E-01   0.222E-02 -.948E-03 0.674E-03
   0.134E+01 -.773E+00 0.155E+02   -.133E+01 0.770E+00 -.155E+02   0.192E-02 -.111E-02 -.261E-01   0.274E-02 -.158E-02 0.196E-03
   -.322E+01 0.255E+01 0.145E+02   0.323E+01 -.256E+01 -.144E+02   -.178E-02 0.836E-03 -.433E-01   0.293E-02 -.183E-02 -.207E-03
   -.144E+02 -.139E+01 0.198E+02   0.145E+02 0.142E+01 -.198E+02   -.632E-01 -.368E-01 -.116E-01   0.219E-02 0.917E-03 -.137E-03
   -.143E+02 -.115E+02 0.249E+02   0.144E+02 0.116E+02 -.249E+02   -.839E-01 -.648E-01 -.705E-02   0.295E-03 0.105E-02 0.627E-03
   0.298E+01 0.851E+01 0.202E+02   -.301E+01 -.853E+01 -.202E+02   0.215E-01 0.239E-01 -.211E-01   -.222E-02 0.948E-03 0.674E-03
   0.143E+02 0.115E+02 0.249E+02   -.144E+02 -.116E+02 -.249E+02   0.839E-01 0.648E-01 -.705E-02   -.294E-03 -.105E-02 0.627E-03
   0.144E+02 0.139E+01 0.198E+02   -.145E+02 -.142E+01 -.198E+02   0.632E-01 0.368E-01 -.116E-01   -.219E-02 -.917E-03 -.137E-03
   0.322E+01 -.255E+01 0.145E+02   -.323E+01 0.256E+01 -.144E+02   0.178E-02 -.836E-03 -.433E-01   -.293E-02 0.183E-02 -.207E-03
   -.134E+01 0.773E+00 0.155E+02   0.133E+01 -.770E+00 -.155E+02   -.192E-02 0.111E-02 -.261E-01   -.274E-02 0.158E-02 0.196E-03
   -.130E+01 0.123E+02 0.186E+02   0.130E+01 -.123E+02 -.185E+02   -.777E-02 0.282E-01 -.540E-01   -.377E-02 0.161E-03 0.202E-03
   0.879E+01 0.299E+02 0.397E+02   -.893E+01 -.301E+02 -.397E+02   0.137E+00 0.217E+00 -.150E-01   -.395E-02 -.522E-04 0.751E-03
   0.351E+02 0.618E+01 0.454E+02   -.357E+02 -.644E+01 -.458E+02   0.632E+00 0.265E+00 0.350E+00   0.659E-03 -.194E-02 0.360E-03
   0.181E+02 -.105E+02 0.206E+02   -.182E+02 0.105E+02 -.205E+02   0.605E-01 -.350E-01 -.128E+00   -.242E-02 0.139E-02 -.537E-03
   0.382E+01 -.151E+01 0.145E+02   -.383E+01 0.151E+01 -.144E+02   0.161E-02 -.112E-02 -.433E-01   -.305E-02 0.162E-02 -.212E-03
   -.322E+01 0.345E+01 0.163E+02   0.324E+01 -.346E+01 -.163E+02   -.279E-01 0.112E-01 -.125E-02   -.117E-02 0.228E-03 -.202E-03
   -.173E+02 0.208E+02 0.265E+02   0.175E+02 -.209E+02 -.264E+02   -.226E+00 0.149E+00 -.569E-01   -.290E-02 -.104E-03 -.230E-03
   -.266E+02 0.154E+02 0.687E+02   0.276E+02 -.159E+02 -.708E+02   -.983E+00 0.568E+00 0.210E+01   -.332E-02 0.192E-02 0.110E-02
   0.122E+02 -.335E+02 0.454E+02   -.123E+02 0.342E+02 -.458E+02   0.863E-01 -.680E+00 0.350E+00   0.201E-02 0.396E-03 0.357E-03
   0.598E+01 -.132E+02 0.198E+02   -.600E+01 0.132E+02 -.198E+02   -.277E-03 -.731E-01 -.116E-01   -.297E-03 0.235E-02 -.145E-03
   -.705E+00 -.369E+01 0.154E+02   0.704E+00 0.372E+01 -.155E+02   -.978E-02 -.172E-01 0.285E-02   0.518E-03 0.781E-03 0.632E-04
   -.927E+01 0.535E+01 0.155E+02   0.928E+01 -.536E+01 -.155E+02   -.215E-01 0.124E-01 0.599E-02   0.272E-03 -.151E-03 -.343E-03
   -.266E+02 0.456E+01 0.265E+02   0.268E+02 -.468E+01 -.264E+02   -.242E+00 0.121E+00 -.569E-01   -.136E-02 0.257E-02 -.226E-03
   -.215E+02 -.226E+02 0.397E+02   0.216E+02 0.228E+02 -.397E+02   -.120E+00 -.228E+00 -.150E-01   -.192E-02 0.345E-02 0.753E-03
   -.282E+01 -.182E+02 0.249E+02   0.282E+01 0.183E+02 -.249E+02   -.141E-01 -.105E+00 -.705E-02   0.768E-03 0.782E-03 0.624E-03
   0.188E+01 -.109E+01 0.178E+02   -.190E+01 0.110E+01 -.178E+02   0.389E-02 -.225E-02 -.366E-02   -.607E-03 0.353E-03 0.510E-03
   0.285E+01 0.246E+01 0.154E+02   -.287E+01 -.247E+01 -.155E+02   0.100E-01 0.171E-01 0.285E-02   -.415E-03 -.831E-03 0.668E-04
   -.460E+01 0.106E+01 0.163E+02   0.461E+01 -.107E+01 -.163E+02   -.237E-01 0.186E-01 -.125E-02   -.782E-03 0.907E-03 -.194E-03
   -.113E+02 -.503E+01 0.186E+02   0.113E+02 0.505E+01 -.185E+02   -.283E-01 -.737E-02 -.540E-01   -.202E-02 0.318E-02 0.207E-03
   -.588E+01 -.683E+01 0.202E+02   0.588E+01 0.687E+01 -.202E+02   -.991E-02 -.306E-01 -.211E-01   -.193E-02 0.145E-02 0.674E-03
 -----------------------------------------------------------------------------------------------
   -.185E-02 0.322E-03 0.850E+01   0.225E-12 0.870E-13 -.249E-13   -.442E-15 0.396E-15 -.851E+01   -.159E-06 0.103E-06 0.127E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85443      6.06238     12.31751         0.000000      0.000000      0.031479
      2.26070      6.76606     13.63871         0.005052      0.008750      0.006013
      1.44817      5.35871     13.63871        -0.005052     -0.008750      0.006013
      0.00033     -0.00019      9.93621         0.012166     -0.007024     -0.002067
     11.11109      2.14310      9.93884         0.009180     -0.006011     -0.004395
      9.87643      4.28264      9.95251         0.010292     -0.007689      0.000353
      8.64383      6.42193      9.95290         0.010815     -0.005132     -0.000401
     -4.93322      8.55558      9.94611         0.011594     -0.004795      0.000942
      2.46970     -0.00023      9.94611         0.009949     -0.007644      0.000942
      1.23498      2.13708      9.95199         0.010767     -0.011381     -0.000561
     -0.00284      4.27572      9.98274         0.010141     -0.002611      0.003824
     -1.23658      6.41681      9.99002         0.012722     -0.004685     -0.000269
     -2.46439      8.55585      9.96097         0.008780     -0.005069      0.000048
      4.93776      0.00282      9.95290         0.009852     -0.006800     -0.000401
      3.70472      2.13807      9.96132         0.013238     -0.006828     -0.001838
      2.47145      4.26450     10.02853         0.009376     -0.002790     -0.000975
      1.22983      6.42300     10.10216         0.011208     -0.006471     -0.011873
      0.00199      8.56206      9.99002         0.010418     -0.008675     -0.000269
      7.40674      0.00501      9.95251         0.011805     -0.005069      0.000353
      6.17294      2.14231      9.95322         0.012658     -0.004927     -0.002008
      4.94074      4.28051      9.98394         0.010102     -0.005833      0.000046
      3.71995      6.42697     10.02853         0.007105     -0.006725     -0.000975
      2.47309      8.56416      9.98274         0.007332     -0.007477      0.003824
      9.87696      0.00553      9.93884         0.009796     -0.004945     -0.004395
      8.64192      2.14363      9.94127         0.009773     -0.005642      0.002752
      7.40857      4.28249      9.95322         0.010596     -0.008498     -0.002008
      6.17813      6.42215      9.96132         0.012533     -0.008050     -0.001838
      4.94412      8.56150      9.95199         0.015240     -0.003634     -0.000561
      0.00017      1.42495      9.93884        -0.009796      0.004945     -0.004395
     -1.23525      3.56326      9.95199        -0.015240      0.003634     -0.000561
     -2.46926      5.70262      9.96132        -0.012533      0.008050     -0.001838
     -3.69970      7.84228      9.95322        -0.010596      0.008498     -0.002008
     -4.93306      9.98114      9.94127        -0.009773      0.005642      0.002752
      2.47040      1.42547      9.95251        -0.011805      0.005069      0.000353
      1.23578      3.56060      9.98274        -0.007332      0.007477      0.003824
     -0.01108      5.69779     10.02853        -0.007105      0.006725     -0.000975
     -1.23187      7.84426      9.98394        -0.010102      0.005833      0.000046
     -2.46407      9.98246      9.95322        -0.012658      0.004927     -0.002008
      4.93938      1.42766      9.95290        -0.009852      0.006800     -0.000401
      3.70688      3.56270      9.99002        -0.010418      0.008675     -0.000269
      2.47904      5.70177     10.10216        -0.011208      0.006471     -0.011873
      1.23742      7.86026     10.02853        -0.009376      0.002790     -0.000975
      0.00415      9.98670      9.96132        -0.013238      0.006828     -0.001838
      7.40744      1.43071      9.94611        -0.009949      0.007644      0.000942
      6.17326      3.56891      9.96097        -0.008780      0.005069      0.000048
      4.94545      5.70796      9.99002        -0.012722      0.004685     -0.000269
      3.71171      7.84904      9.98274        -0.010141      0.002611      0.003824
      2.47389      9.98769      9.95199        -0.010767      0.011381     -0.000561
      9.87681      1.43067      9.93621        -0.012166      0.007024     -0.002067
      8.64209      3.56918      9.94611        -0.011594      0.004795      0.000942
      7.41070      5.70811      9.95290        -0.010815      0.005132     -0.000401
      6.17810      7.84740      9.95251        -0.010292      0.007689      0.000353
      4.94343      9.98694      9.93884        -0.009180      0.006011     -0.004395
 -----------------------------------------------------------------------------------
    total drift:                               -0.001846      0.000322      0.010281


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




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


    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  181.61: CPU time   91.15
     LOOP+:  VPU time11407.83: CPU time 5895.53


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


    POTLOK:  VPU time    9.16: CPU time    8.99
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1396.84: CPU time  723.79
 BZINTS: Fermi energy: -3.154342;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  113.44: CPU time   57.58
    MIXING:  VPU time    0.15: CPU time    0.14
    ------------------------------------------
      LOOP:  VPU time 1519.97: CPU time  790.87

 eigenvalue-minimisations  :  4160
 total energy-change (2. order) :-0.4716446E+03  (-0.3703471E-05)
 number of electron  212.0000067 magnetization    0.0000000
 augmentation part     7.9599589 magnetization   -0.0000001

 Broyden mixing:
  rms(total) = 0.27500E-03    rms(broyden)= 0.27496E-03
  rms(prec ) = 0.31295E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34041.33714284
  -1/2 Hartree   DENC   =    -40941.44054733
  -V(xc)+E(xc)   XCENC  =       726.60156748
  PAW double counting   =      4092.65864757    -4131.04422919
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.19698866
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64455368 eV

  energy without entropy =     -471.64455368  energy(sigma->0) =     -471.64455368


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




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


    POTLOK:  VPU time    8.89: CPU time    8.89
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1405.42: CPU time  726.14
 BZINTS: Fermi energy: -3.154342;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1414.72: CPU time  735.42

 eigenvalue-minimisations  :  4144
 total energy-change (2. order) :-0.1064702E-05  (-0.6209821E-06)
 number of electron  212.0000067 magnetization    0.0000000
 augmentation part     7.9599589 magnetization   -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34041.33714284
  -1/2 Hartree   DENC   =    -40941.45527449
  -V(xc)+E(xc)   XCENC  =       726.60171789
  PAW double counting   =      4092.65198601    -4131.03754220
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.18243839
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64455474 eV

  energy without entropy =     -471.64455474  energy(sigma->0) =     -471.64455474


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




 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 -58.5442       2 -39.9882       3 -39.9882       4 -58.2439       5 -58.2483
       6 -58.2557       7 -58.2466       8 -58.2448       9 -58.2448      10 -58.2605
      11 -58.3150      12 -58.2924      13 -58.2499      14 -58.2466      15 -58.2576
      16 -58.4380      17 -58.7324      18 -58.2924      19 -58.2557      20 -58.2503
      21 -58.2775      22 -58.4380      23 -58.3150      24 -58.2483      25 -58.2434
      26 -58.2503      27 -58.2576      28 -58.2605      29 -58.2481      30 -58.2604
      31 -58.2575      32 -58.2502      33 -58.2433      34 -58.2556      35 -58.3149
      36 -58.4380      37 -58.2774      38 -58.2502      39 -58.2465      40 -58.2923
      41 -58.7323      42 -58.4380      43 -58.2575      44 -58.2447      45 -58.2498
      46 -58.2923      47 -58.3149      48 -58.2604      49 -58.2438      50 -58.2447
      51 -58.2465      52 -58.2556      53 -58.2482
 
 
 
 E-fermi :  -3.1543     XC(G=0):  -2.3423     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     -22.3555      1.00000
      2     -21.5359      1.00000
      3     -21.4058      1.00000
      4     -21.4058      1.00000
      5     -21.3744      1.00000
      6     -21.3643      1.00000
      7     -21.3570      1.00000
      8     -19.6460      1.00000
      9     -19.5698      1.00000
     10     -19.5658      1.00000
     11     -19.5568      1.00000
     12     -19.5390      1.00000
     13     -19.5374      1.00000
     14     -18.7283      1.00000
     15     -18.6761      1.00000
     16     -18.6727      1.00000
     17     -18.6590      1.00000
     18     -18.6434      1.00000
     19     -18.6388      1.00000
     20     -16.5885      1.00000
     21     -16.5231      1.00000
     22     -16.5225      1.00000
     23     -16.5132      1.00000
     24     -16.4849      1.00000
     25     -16.4839      1.00000
     26     -15.5567      1.00000
     27     -15.5263      1.00000
     28     -15.5253      1.00000
     29     -15.4996      1.00000
     30     -15.4924      1.00000
     31     -15.4887      1.00000
     32     -14.2051      1.00000
     33     -14.1802      1.00000
     34     -14.1692      1.00000
     35     -14.1667      1.00000
     36     -14.1560      1.00000
     37     -14.1465      1.00000
     38     -11.8846      1.00000
     39     -11.8075      1.00000
     40     -11.7930      1.00000
     41     -11.7914      1.00000
     42     -11.7881      1.00000
     43     -11.7825      1.00000
     44     -11.7071      1.00000
     45     -11.6952      1.00000
     46     -11.6685      1.00000
     47     -11.6634      1.00000
     48     -11.6562      1.00000
     49     -11.6463      1.00000
     50     -10.6760      1.00000
     51     -10.3276      1.00000
     52     -10.3214      1.00000
     53     -10.3059      1.00000
     54     -10.3016      1.00000
     55     -10.2914      1.00000
     56     -10.2774      1.00000
     57      -9.9296      1.00000
     58      -9.3723      1.00000
     59      -9.3594      1.00000
     60      -9.2999      1.00000
     61      -9.2907      1.00000
     62      -9.2840      1.00000
     63      -9.0887      1.00000
     64      -9.0638      1.00000
     65      -9.0459      1.00000
     66      -9.0295      1.00000
     67      -9.0029      1.00000
     68      -9.0007      1.00000
     69      -8.9982      1.00000
     70      -8.9953      1.00000
     71      -8.9921      1.00000
     72      -8.9678      1.00000
     73      -8.9676      1.00000
     74      -8.9521      1.00000
     75      -8.5078      1.00000
     76      -7.5152      1.00000
     77      -7.4148      1.00000
     78      -7.4069      1.00000
     79      -7.4007      1.00000
     80      -7.3811      1.00000
     81      -7.3591      1.00000
     82      -7.3403      1.00000
     83      -7.3118      1.00000
     84      -7.2697      1.00000
     85      -7.2048      1.00000
     86      -7.1793      1.00000
     87      -7.1792      1.00000
     88      -7.0721      1.00000
     89      -6.5083      1.00000
     90      -6.4618      1.00000
     91      -6.3559      1.00000
     92      -6.2935      1.00000
     93      -6.2864      1.00000
     94      -6.2851      1.00000
     95      -5.8921      1.00000
     96      -5.8890      1.00000
     97      -5.0530      1.00000
     98      -4.9380      1.00000
     99      -4.5401      1.00000
    100      -4.3415      1.00000
    101      -4.3171      1.00000
    102      -4.3162      1.00000
    103      -4.1164      1.00000
    104      -3.9136      1.00000
    105      -3.9003      1.00000
    106      -3.8379      1.00000
    107      -1.6824      0.00000
    108      -1.6673      0.00000
    109      -1.5369      0.00000
    110      -1.5330      0.00000
    111      -1.5222      0.00000
    112      -1.5093      0.00000
    113      -0.5837      0.00000
    114       0.1369      0.00000
    115       0.2037      0.00000
    116       0.3247      0.00000
    117       0.3291      0.00000
    118       0.3328      0.00000
    119       0.4960      0.00000
    120       0.5944      0.00000
    121       1.2610      0.00000
    122       1.2757      0.00000
    123       1.5250      0.00000
    124       1.7969      0.00000
    125       1.8044      0.00000
    126       1.8063      0.00000
    127       1.8096      0.00000
    128       1.9450      0.00000
    129       1.9757      0.00000
    130       2.0314      0.00000
    131       2.0452      0.00000
    132       2.0510      0.00000
    133       2.0552      0.00000
    134       2.0598      0.00000
    135       2.3075      0.00000
    136       2.3226      0.00000
    137       2.6072      0.00000
    138       2.6212      0.00000
    139       2.6426      0.00000
    140       2.7308      0.00000
    141       2.8549      0.00000
    142       3.0256      0.00000
    143       3.0675      0.00000
    144       3.0746      0.00000
    145       3.0976      0.00000
    146       3.1131      0.00000
    147       3.1151      0.00000
    148       3.2312      0.00000
    149       3.4492      0.00000
    150       3.5508      0.00000
    151       3.7840      0.00000
    152       3.9461      0.00000
    153       3.9464      0.00000
    154       3.9709      0.00000
    155       3.9752      0.00000
    156       4.0012      0.00000
    157       4.1762      0.00000
    158       4.2711      0.00000
    159       4.2856      0.00000
    160       4.2858      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3189      1.00000
      2     -21.7606      1.00000
      3     -21.5693      1.00000
      4     -21.5367      1.00000
      5     -21.2068      1.00000
      6     -21.1618      1.00000
      7     -20.9866      1.00000
      8     -20.1013      1.00000
      9     -20.0569      1.00000
     10     -19.5446      1.00000
     11     -19.5196      1.00000
     12     -19.3494      1.00000
     13     -19.0248      1.00000
     14     -18.9873      1.00000
     15     -18.9810      1.00000
     16     -18.9681      1.00000
     17     -18.2969      1.00000
     18     -18.2757      1.00000
     19     -17.9531      1.00000
     20     -17.0113      1.00000
     21     -16.9602      1.00000
     22     -16.8812      1.00000
     23     -16.8639      1.00000
     24     -16.4038      1.00000
     25     -16.3860      1.00000
     26     -15.5489      1.00000
     27     -15.5347      1.00000
     28     -15.1972      1.00000
     29     -15.1698      1.00000
     30     -15.1160      1.00000
     31     -15.0288      1.00000
     32     -15.0027      1.00000
     33     -14.6344      1.00000
     34     -14.6220      1.00000
     35     -13.6666      1.00000
     36     -13.6495      1.00000
     37     -13.1719      1.00000
     38     -12.5528      1.00000
     39     -12.5174      1.00000
     40     -12.3922      1.00000
     41     -12.3780      1.00000
     42     -12.0578      1.00000
     43     -12.0328      1.00000
     44     -11.6556      1.00000
     45     -11.6128      1.00000
     46     -11.1780      1.00000
     47     -11.1573      1.00000
     48     -10.9664      1.00000
     49     -10.9428      1.00000
     50     -10.8717      1.00000
     51     -10.8347      1.00000
     52     -10.6034      1.00000
     53     -10.0939      1.00000
     54     -10.0911      1.00000
     55     -10.0474      1.00000
     56      -9.9728      1.00000
     57      -9.6527      1.00000
     58      -9.6328      1.00000
     59      -9.5901      1.00000
     60      -9.5312      1.00000
     61      -9.5042      1.00000
     62      -9.4785      1.00000
     63      -9.2662      1.00000
     64      -9.2461      1.00000
     65      -9.2186      1.00000
     66      -9.1609      1.00000
     67      -9.0693      1.00000
     68      -9.0538      1.00000
     69      -9.0356      1.00000
     70      -8.8826      1.00000
     71      -8.8010      1.00000
     72      -8.5779      1.00000
     73      -8.5232      1.00000
     74      -8.4623      1.00000
     75      -8.0388      1.00000
     76      -7.8133      1.00000
     77      -7.8065      1.00000
     78      -7.7886      1.00000
     79      -7.7037      1.00000
     80      -7.6895      1.00000
     81      -7.3622      1.00000
     82      -7.2775      1.00000
     83      -7.2609      1.00000
     84      -7.2152      1.00000
     85      -7.1722      1.00000
     86      -7.0084      1.00000
     87      -6.9427      1.00000
     88      -6.7465      1.00000
     89      -6.6717      1.00000
     90      -6.5933      1.00000
     91      -6.5592      1.00000
     92      -6.0539      1.00000
     93      -6.0464      1.00000
     94      -6.0211      1.00000
     95      -5.9556      1.00000
     96      -5.7370      1.00000
     97      -5.1590      1.00000
     98      -4.9910      1.00000
     99      -4.7199      1.00000
    100      -4.6106      1.00000
    101      -4.4403      1.00000
    102      -4.3746      1.00000
    103      -4.1230      1.00000
    104      -3.8687      1.00000
    105      -3.8374      1.00000
    106      -3.7894      1.00000
    107      -1.7851      0.00000
    108      -1.7386      0.00000
    109      -1.3952      0.00000
    110      -1.3439      0.00000
    111      -1.2641      0.00000
    112      -1.2261      0.00000
    113      -0.7456      0.00000
    114      -0.3796      0.00000
    115      -0.2160      0.00000
    116      -0.0180      0.00000
    117       0.5905      0.00000
    118       0.7373      0.00000
    119       0.7633      0.00000
    120       1.0495      0.00000
    121       1.1411      0.00000
    122       1.2505      0.00000
    123       1.2721      0.00000
    124       1.4152      0.00000
    125       1.4774      0.00000
    126       1.5839      0.00000
    127       1.7599      0.00000
    128       1.8385      0.00000
    129       1.8972      0.00000
    130       1.9587      0.00000
    131       2.1070      0.00000
    132       2.2365      0.00000
    133       2.2472      0.00000
    134       2.2934      0.00000
    135       2.4839      0.00000
    136       2.6146      0.00000
    137       2.6378      0.00000
    138       2.7649      0.00000
    139       2.8032      0.00000
    140       2.8587      0.00000
    141       2.8722      0.00000
    142       2.8929      0.00000
    143       2.9616      0.00000
    144       3.0817      0.00000
    145       3.2847      0.00000
    146       3.3046      0.00000
    147       3.3760      0.00000
    148       3.4126      0.00000
    149       3.4670      0.00000
    150       3.5937      0.00000
    151       3.6398      0.00000
    152       3.6791      0.00000
    153       3.7107      0.00000
    154       3.9058      0.00000
    155       3.9403      0.00000
    156       3.9826      0.00000
    157       4.0844      0.00000
    158       4.1997      0.00000
    159       4.2515      0.00000
    160       4.2968      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2134      1.00000
      2     -22.0070      1.00000
      3     -21.6480      1.00000
      4     -21.6110      1.00000
      5     -20.9122      1.00000
      6     -20.8657      1.00000
      7     -20.5451      1.00000
      8     -20.5062      1.00000
      9     -20.4949      1.00000
     10     -19.9636      1.00000
     11     -19.4410      1.00000
     12     -19.4133      1.00000
     13     -19.2400      1.00000
     14     -19.2251      1.00000
     15     -18.3847      1.00000
     16     -18.3400      1.00000
     17     -17.8604      1.00000
     18     -17.8364      1.00000
     19     -17.6987      1.00000
     20     -17.6557      1.00000
     21     -17.3733      1.00000
     22     -17.3528      1.00000
     23     -17.2760      1.00000
     24     -16.3988      1.00000
     25     -16.3834      1.00000
     26     -15.8971      1.00000
     27     -15.3492      1.00000
     28     -15.3360      1.00000
     29     -15.0316      1.00000
     30     -15.0197      1.00000
     31     -14.8003      1.00000
     32     -14.7757      1.00000
     33     -14.2237      1.00000
     34     -14.1900      1.00000
     35     -13.3732      1.00000
     36     -13.3373      1.00000
     37     -13.1199      1.00000
     38     -13.0999      1.00000
     39     -12.9165      1.00000
     40     -12.9028      1.00000
     41     -12.5573      1.00000
     42     -12.5364      1.00000
     43     -12.1359      1.00000
     44     -11.5189      1.00000
     45     -11.4698      1.00000
     46     -11.2510      1.00000
     47     -11.2160      1.00000
     48     -11.0826      1.00000
     49     -10.6594      1.00000
     50     -10.5888      1.00000
     51     -10.5223      1.00000
     52     -10.2655      1.00000
     53     -10.2451      1.00000
     54     -10.1218      1.00000
     55     -10.0492      1.00000
     56     -10.0369      1.00000
     57      -9.7695      1.00000
     58      -9.7134      1.00000
     59      -9.6755      1.00000
     60      -9.6344      1.00000
     61      -9.6254      1.00000
     62      -9.5868      1.00000
     63      -9.2992      1.00000
     64      -9.2842      1.00000
     65      -9.2481      1.00000
     66      -9.0906      1.00000
     67      -8.9031      1.00000
     68      -8.8803      1.00000
     69      -8.7243      1.00000
     70      -8.5906      1.00000
     71      -8.5092      1.00000
     72      -8.3315      1.00000
     73      -8.3023      1.00000
     74      -8.2645      1.00000
     75      -8.2329      1.00000
     76      -8.1956      1.00000
     77      -8.1827      1.00000
     78      -8.1667      1.00000
     79      -8.1054      1.00000
     80      -7.6890      1.00000
     81      -7.3564      1.00000
     82      -7.3096      1.00000
     83      -7.2655      1.00000
     84      -7.1898      1.00000
     85      -7.1245      1.00000
     86      -7.0761      1.00000
     87      -6.9053      1.00000
     88      -6.8816      1.00000
     89      -6.5451      1.00000
     90      -6.4960      1.00000
     91      -6.2059      1.00000
     92      -6.0704      1.00000
     93      -5.9432      1.00000
     94      -5.7153      1.00000
     95      -5.6335      1.00000
     96      -5.4529      1.00000
     97      -5.3048      1.00000
     98      -5.2353      1.00000
     99      -5.1534      1.00000
    100      -5.1499      1.00000
    101      -4.5248      1.00000
    102      -4.4717      1.00000
    103      -4.1444      1.00000
    104      -3.8405      1.00000
    105      -3.7570      1.00000
    106      -3.6781      1.00000
    107      -1.8715      0.00000
    108      -1.8241      0.00000
    109      -1.2782      0.00000
    110      -1.0330      0.00000
    111      -1.0126      0.00000
    112      -0.7129      0.00000
    113      -0.6370      0.00000
    114      -0.5884      0.00000
    115      -0.5461      0.00000
    116      -0.2003      0.00000
    117       0.2519      0.00000
    118       0.2783      0.00000
    119       0.7597      0.00000
    120       0.9455      0.00000
    121       1.1344      0.00000
    122       1.2243      0.00000
    123       1.3204      0.00000
    124       1.4149      0.00000
    125       1.5996      0.00000
    126       1.6341      0.00000
    127       1.6977      0.00000
    128       1.8288      0.00000
    129       1.9201      0.00000
    130       2.0082      0.00000
    131       2.1056      0.00000
    132       2.3348      0.00000
    133       2.3935      0.00000
    134       2.4321      0.00000
    135       2.5382      0.00000
    136       2.6338      0.00000
    137       2.7638      0.00000
    138       2.8279      0.00000
    139       2.8340      0.00000
    140       2.8899      0.00000
    141       3.0440      0.00000
    142       3.0863      0.00000
    143       3.1869      0.00000
    144       3.2367      0.00000
    145       3.3807      0.00000
    146       3.4206      0.00000
    147       3.4854      0.00000
    148       3.5842      0.00000
    149       3.6044      0.00000
    150       3.6303      0.00000
    151       3.6502      0.00000
    152       3.7424      0.00000
    153       3.7722      0.00000
    154       3.7881      0.00000
    155       3.8130      0.00000
    156       3.8947      0.00000
    157       3.9738      0.00000
    158       4.0077      0.00000
    159       4.1769      0.00000
    160       4.2493      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2472      1.00000
      2     -21.8928      1.00000
      3     -21.8220      1.00000
      4     -21.3102      1.00000
      5     -21.2798      1.00000
      6     -20.7705      1.00000
      7     -20.7044      1.00000
      8     -20.5566      1.00000
      9     -20.0067      1.00000
     10     -19.9990      1.00000
     11     -19.6476      1.00000
     12     -19.6232      1.00000
     13     -18.9282      1.00000
     14     -18.9195      1.00000
     15     -18.5667      1.00000
     16     -18.5533      1.00000
     17     -18.3959      1.00000
     18     -17.6176      1.00000
     19     -17.5603      1.00000
     20     -17.5555      1.00000
     21     -17.5143      1.00000
     22     -17.0535      1.00000
     23     -17.0364      1.00000
     24     -16.8855      1.00000
     25     -15.9247      1.00000
     26     -15.8646      1.00000
     27     -15.5167      1.00000
     28     -15.5160      1.00000
     29     -15.2286      1.00000
     30     -14.7932      1.00000
     31     -14.7661      1.00000
     32     -14.5185      1.00000
     33     -14.4739      1.00000
     34     -14.0966      1.00000
     35     -14.0850      1.00000
     36     -13.0745      1.00000
     37     -13.0360      1.00000
     38     -12.9703      1.00000
     39     -12.9582      1.00000
     40     -12.6484      1.00000
     41     -12.6414      1.00000
     42     -12.2707      1.00000
     43     -12.2390      1.00000
     44     -11.5832      1.00000
     45     -11.5546      1.00000
     46     -11.5032      1.00000
     47     -10.9021      1.00000
     48     -10.8468      1.00000
     49     -10.6242      1.00000
     50     -10.5615      1.00000
     51     -10.4855      1.00000
     52     -10.4285      1.00000
     53     -10.4190      1.00000
     54     -10.3722      1.00000
     55     -10.3018      1.00000
     56     -10.0657      1.00000
     57      -9.8323      1.00000
     58      -9.5571      1.00000
     59      -9.4967      1.00000
     60      -9.4725      1.00000
     61      -9.3408      1.00000
     62      -9.3309      1.00000
     63      -9.3169      1.00000
     64      -9.3100      1.00000
     65      -9.2130      1.00000
     66      -9.1072      1.00000
     67      -9.0743      1.00000
     68      -9.0457      1.00000
     69      -8.8492      1.00000
     70      -8.7868      1.00000
     71      -8.7695      1.00000
     72      -8.5270      1.00000
     73      -8.4769      1.00000
     74      -8.2257      1.00000
     75      -8.1068      1.00000
     76      -8.0948      1.00000
     77      -7.8088      1.00000
     78      -7.7877      1.00000
     79      -7.7875      1.00000
     80      -7.6735      1.00000
     81      -7.6342      1.00000
     82      -7.6317      1.00000
     83      -7.3991      1.00000
     84      -7.3246      1.00000
     85      -7.1960      1.00000
     86      -6.8372      1.00000
     87      -6.8256      1.00000
     88      -6.6626      1.00000
     89      -6.5376      1.00000
     90      -6.3499      1.00000
     91      -6.3070      1.00000
     92      -6.1812      1.00000
     93      -6.1412      1.00000
     94      -5.9783      1.00000
     95      -5.5733      1.00000
     96      -5.4271      1.00000
     97      -5.2599      1.00000
     98      -5.2526      1.00000
     99      -5.1504      1.00000
    100      -4.6942      1.00000
    101      -4.6650      1.00000
    102      -4.3494      1.00000
    103      -4.3173      1.00000
    104      -3.9656      1.00000
    105      -3.8343      1.00000
    106      -3.3870      1.00000
    107      -2.2207      0.00000
    108      -1.3767      0.00000
    109      -1.2850      0.00000
    110      -1.1735      0.00000
    111      -1.0783      0.00000
    112      -0.8950      0.00000
    113      -0.7682      0.00000
    114      -0.7580      0.00000
    115      -0.2156      0.00000
    116       0.1170      0.00000
    117       0.2676      0.00000
    118       0.3459      0.00000
    119       0.7328      0.00000
    120       0.9026      0.00000
    121       0.9706      0.00000
    122       1.0953      0.00000
    123       1.2077      0.00000
    124       1.5290      0.00000
    125       1.5630      0.00000
    126       1.7164      0.00000
    127       1.8370      0.00000
    128       1.8602      0.00000
    129       1.9677      0.00000
    130       1.9998      0.00000
    131       2.1573      0.00000
    132       2.2633      0.00000
    133       2.4529      0.00000
    134       2.4801      0.00000
    135       2.5082      0.00000
    136       2.6686      0.00000
    137       2.6875      0.00000
    138       2.7307      0.00000
    139       2.7481      0.00000
    140       2.8901      0.00000
    141       3.0204      0.00000
    142       3.0804      0.00000
    143       3.2028      0.00000
    144       3.2622      0.00000
    145       3.2627      0.00000
    146       3.2681      0.00000
    147       3.3691      0.00000
    148       3.4784      0.00000
    149       3.5312      0.00000
    150       3.6954      0.00000
    151       3.7578      0.00000
    152       3.7684      0.00000
    153       3.8322      0.00000
    154       3.8794      0.00000
    155       3.9414      0.00000
    156       3.9881      0.00000
    157       4.0231      0.00000
    158       4.0571      0.00000
    159       4.0617      0.00000
    160       4.1268      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1413      1.00000
      2     -22.0458      1.00000
      3     -21.8855      1.00000
      4     -21.3334      1.00000
      5     -20.9811      1.00000
      6     -20.9425      1.00000
      7     -20.4327      1.00000
      8     -20.3898      1.00000
      9     -20.2264      1.00000
     10     -20.2049      1.00000
     11     -19.8876      1.00000
     12     -19.8196      1.00000
     13     -18.8131      1.00000
     14     -18.7415      1.00000
     15     -18.2908      1.00000
     16     -18.2367      1.00000
     17     -18.0861      1.00000
     18     -18.0638      1.00000
     19     -17.7625      1.00000
     20     -17.7189      1.00000
     21     -17.1907      1.00000
     22     -17.1651      1.00000
     23     -17.1015      1.00000
     24     -17.0613      1.00000
     25     -16.0382      1.00000
     26     -15.8203      1.00000
     27     -15.7990      1.00000
     28     -15.7617      1.00000
     29     -15.1748      1.00000
     30     -14.4884      1.00000
     31     -14.4562      1.00000
     32     -14.2186      1.00000
     33     -13.8986      1.00000
     34     -13.8897      1.00000
     35     -13.7578      1.00000
     36     -13.7342      1.00000
     37     -13.5516      1.00000
     38     -13.5015      1.00000
     39     -13.2996      1.00000
     40     -12.5644      1.00000
     41     -12.1246      1.00000
     42     -12.0643      1.00000
     43     -12.0078      1.00000
     44     -11.9488      1.00000
     45     -11.6141      1.00000
     46     -11.5906      1.00000
     47     -11.0831      1.00000
     48     -11.0498      1.00000
     49     -10.7508      1.00000
     50     -10.6591      1.00000
     51     -10.5276      1.00000
     52     -10.1561      1.00000
     53     -10.1349      1.00000
     54     -10.0956      1.00000
     55      -9.9562      1.00000
     56      -9.9476      1.00000
     57      -9.9158      1.00000
     58      -9.7402      1.00000
     59      -9.7330      1.00000
     60      -9.6975      1.00000
     61      -9.6919      1.00000
     62      -9.4292      1.00000
     63      -9.3592      1.00000
     64      -9.0874      1.00000
     65      -9.0127      1.00000
     66      -8.9715      1.00000
     67      -8.8861      1.00000
     68      -8.8107      1.00000
     69      -8.6597      1.00000
     70      -8.6390      1.00000
     71      -8.5796      1.00000
     72      -8.4743      1.00000
     73      -8.4630      1.00000
     74      -8.4001      1.00000
     75      -8.3923      1.00000
     76      -8.1830      1.00000
     77      -8.1157      1.00000
     78      -7.9769      1.00000
     79      -7.9173      1.00000
     80      -7.8483      1.00000
     81      -7.6181      1.00000
     82      -7.5290      1.00000
     83      -7.4662      1.00000
     84      -7.2509      1.00000
     85      -6.9373      1.00000
     86      -6.8607      1.00000
     87      -6.8132      1.00000
     88      -6.5749      1.00000
     89      -6.4646      1.00000
     90      -6.4165      1.00000
     91      -6.3551      1.00000
     92      -6.0530      1.00000
     93      -5.8786      1.00000
     94      -5.7521      1.00000
     95      -5.7225      1.00000
     96      -5.4774      1.00000
     97      -5.3469      1.00000
     98      -5.1806      1.00000
     99      -5.1573      1.00000
    100      -5.1531      1.00000
    101      -4.7072      1.00000
    102      -4.4420      1.00000
    103      -4.2572      1.00000
    104      -3.9974      1.00000
    105      -3.8331      1.00000
    106      -3.1546      1.00000
    107      -2.4633      0.00000
    108      -1.3802      0.00000
    109      -1.2396      0.00000
    110      -1.1468      0.00000
    111      -1.1132      0.00000
    112      -0.5635      0.00000
    113      -0.4344      0.00000
    114      -0.4295      0.00000
    115      -0.3074      0.00000
    116      -0.1899      0.00000
    117       0.0609      0.00000
    118       0.1171      0.00000
    119       0.5418      0.00000
    120       0.6840      0.00000
    121       0.8715      0.00000
    122       0.9670      0.00000
    123       1.1100      0.00000
    124       1.4970      0.00000
    125       1.6646      0.00000
    126       1.7964      0.00000
    127       1.8770      0.00000
    128       2.0908      0.00000
    129       2.1353      0.00000
    130       2.2006      0.00000
    131       2.2180      0.00000
    132       2.3403      0.00000
    133       2.3667      0.00000
    134       2.4880      0.00000
    135       2.5842      0.00000
    136       2.6668      0.00000
    137       2.8766      0.00000
    138       2.9360      0.00000
    139       2.9666      0.00000
    140       2.9925      0.00000
    141       3.0500      0.00000
    142       3.1493      0.00000
    143       3.1888      0.00000
    144       3.2560      0.00000
    145       3.2899      0.00000
    146       3.3301      0.00000
    147       3.3520      0.00000
    148       3.3788      0.00000
    149       3.4003      0.00000
    150       3.4947      0.00000
    151       3.5528      0.00000
    152       3.6340      0.00000
    153       3.6977      0.00000
    154       3.7082      0.00000
    155       3.7280      0.00000
    156       3.9195      0.00000
    157       3.9441      0.00000
    158       4.0585      0.00000
    159       4.0884      0.00000
    160       4.1997      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2469      1.00000
      2     -21.8943      1.00000
      3     -21.8204      1.00000
      4     -21.3157      1.00000
      5     -21.2767      1.00000
      6     -20.7704      1.00000
      7     -20.7010      1.00000
      8     -20.5530      1.00000
      9     -20.0229      1.00000
     10     -19.9901      1.00000
     11     -19.6494      1.00000
     12     -19.6178      1.00000
     13     -18.9434      1.00000
     14     -18.9077      1.00000
     15     -18.5847      1.00000
     16     -18.5470      1.00000
     17     -18.3898      1.00000
     18     -17.6015      1.00000
     19     -17.5667      1.00000
     20     -17.5395      1.00000
     21     -17.5058      1.00000
     22     -17.0753      1.00000
     23     -17.0267      1.00000
     24     -16.9018      1.00000
     25     -15.9471      1.00000
     26     -15.8513      1.00000
     27     -15.5316      1.00000
     28     -15.5055      1.00000
     29     -15.2081      1.00000
     30     -14.8135      1.00000
     31     -14.7607      1.00000
     32     -14.5072      1.00000
     33     -14.4652      1.00000
     34     -14.0991      1.00000
     35     -14.0936      1.00000
     36     -13.1047      1.00000
     37     -13.0275      1.00000
     38     -12.9530      1.00000
     39     -12.9477      1.00000
     40     -12.6539      1.00000
     41     -12.6246      1.00000
     42     -12.2744      1.00000
     43     -12.2482      1.00000
     44     -11.5763      1.00000
     45     -11.5549      1.00000
     46     -11.5007      1.00000
     47     -10.8773      1.00000
     48     -10.8730      1.00000
     49     -10.6843      1.00000
     50     -10.5236      1.00000
     51     -10.5185      1.00000
     52     -10.4384      1.00000
     53     -10.4139      1.00000
     54     -10.3686      1.00000
     55     -10.2830      1.00000
     56     -10.0608      1.00000
     57      -9.8310      1.00000
     58      -9.5558      1.00000
     59      -9.4792      1.00000
     60      -9.4443      1.00000
     61      -9.3646      1.00000
     62      -9.3337      1.00000
     63      -9.3030      1.00000
     64      -9.2992      1.00000
     65      -9.2062      1.00000
     66      -9.1016      1.00000
     67      -9.0705      1.00000
     68      -9.0501      1.00000
     69      -8.8530      1.00000
     70      -8.8055      1.00000
     71      -8.7744      1.00000
     72      -8.5256      1.00000
     73      -8.4980      1.00000
     74      -8.2298      1.00000
     75      -8.1352      1.00000
     76      -8.0904      1.00000
     77      -7.8042      1.00000
     78      -7.7639      1.00000
     79      -7.7378      1.00000
     80      -7.7052      1.00000
     81      -7.6324      1.00000
     82      -7.6240      1.00000
     83      -7.3870      1.00000
     84      -7.3421      1.00000
     85      -7.2163      1.00000
     86      -6.8431      1.00000
     87      -6.8225      1.00000
     88      -6.6400      1.00000
     89      -6.5297      1.00000
     90      -6.3375      1.00000
     91      -6.2740      1.00000
     92      -6.1961      1.00000
     93      -6.1343      1.00000
     94      -6.0209      1.00000
     95      -5.6376      1.00000
     96      -5.5089      1.00000
     97      -5.2962      1.00000
     98      -5.1545      1.00000
     99      -5.0410      1.00000
    100      -4.7266      1.00000
    101      -4.6864      1.00000
    102      -4.3693      1.00000
    103      -4.1865      1.00000
    104      -4.0106      1.00000
    105      -3.8326      1.00000
    106      -3.4846      1.00000
    107      -2.1635      0.00000
    108      -1.3845      0.00000
    109      -1.2351      0.00000
    110      -1.1839      0.00000
    111      -1.0152      0.00000
    112      -0.9528      0.00000
    113      -0.7966      0.00000
    114      -0.7510      0.00000
    115      -0.3640      0.00000
    116       0.2436      0.00000
    117       0.2755      0.00000
    118       0.3649      0.00000
    119       0.6997      0.00000
    120       0.8705      0.00000
    121       0.9653      0.00000
    122       1.1275      0.00000
    123       1.2336      0.00000
    124       1.4576      0.00000
    125       1.5538      0.00000
    126       1.7817      0.00000
    127       1.8529      0.00000
    128       1.8852      0.00000
    129       1.9834      0.00000
    130       2.0302      0.00000
    131       2.1987      0.00000
    132       2.2115      0.00000
    133       2.4028      0.00000
    134       2.4513      0.00000
    135       2.5640      0.00000
    136       2.6567      0.00000
    137       2.6840      0.00000
    138       2.7268      0.00000
    139       2.7700      0.00000
    140       2.8584      0.00000
    141       2.9665      0.00000
    142       3.0829      0.00000
    143       3.1930      0.00000
    144       3.2429      0.00000
    145       3.2582      0.00000
    146       3.2980      0.00000
    147       3.3360      0.00000
    148       3.4834      0.00000
    149       3.5048      0.00000
    150       3.7060      0.00000
    151       3.7213      0.00000
    152       3.7703      0.00000
    153       3.8593      0.00000
    154       3.8764      0.00000
    155       3.9010      0.00000
    156       3.9986      0.00000
    157       4.0031      0.00000
    158       4.0569      0.00000
    159       4.0759      0.00000
    160       4.1307      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3188      1.00000
      2     -21.7604      1.00000
      3     -21.5670      1.00000
      4     -21.5404      1.00000
      5     -21.2042      1.00000
      6     -21.1656      1.00000
      7     -20.9838      1.00000
      8     -20.0971      1.00000
      9     -20.0585      1.00000
     10     -19.5478      1.00000
     11     -19.5273      1.00000
     12     -19.3417      1.00000
     13     -19.0272      1.00000
     14     -18.9884      1.00000
     15     -18.9770      1.00000
     16     -18.9702      1.00000
     17     -18.2965      1.00000
     18     -18.2827      1.00000
     19     -17.9419      1.00000
     20     -16.9972      1.00000
     21     -16.9560      1.00000
     22     -16.8822      1.00000
     23     -16.8695      1.00000
     24     -16.4194      1.00000
     25     -16.3966      1.00000
     26     -15.5427      1.00000
     27     -15.5393      1.00000
     28     -15.1706      1.00000
     29     -15.1694      1.00000
     30     -15.1267      1.00000
     31     -15.0328      1.00000
     32     -14.9977      1.00000
     33     -14.6356      1.00000
     34     -14.6286      1.00000
     35     -13.6643      1.00000
     36     -13.6543      1.00000
     37     -13.1649      1.00000
     38     -12.5710      1.00000
     39     -12.5106      1.00000
     40     -12.3822      1.00000
     41     -12.3819      1.00000
     42     -12.0353      1.00000
     43     -12.0311      1.00000
     44     -11.6614      1.00000
     45     -11.6209      1.00000
     46     -11.2087      1.00000
     47     -11.1588      1.00000
     48     -10.9513      1.00000
     49     -10.9373      1.00000
     50     -10.8637      1.00000
     51     -10.8311      1.00000
     52     -10.6267      1.00000
     53     -10.1457      1.00000
     54     -10.0815      1.00000
     55     -10.0197      1.00000
     56      -9.9437      1.00000
     57      -9.6300      1.00000
     58      -9.6271      1.00000
     59      -9.6016      1.00000
     60      -9.5435      1.00000
     61      -9.5063      1.00000
     62      -9.4795      1.00000
     63      -9.2715      1.00000
     64      -9.2298      1.00000
     65      -9.2036      1.00000
     66      -9.1888      1.00000
     67      -9.0618      1.00000
     68      -9.0421      1.00000
     69      -9.0386      1.00000
     70      -8.8757      1.00000
     71      -8.8179      1.00000
     72      -8.5410      1.00000
     73      -8.5364      1.00000
     74      -8.5070      1.00000
     75      -8.0232      1.00000
     76      -7.8371      1.00000
     77      -7.8013      1.00000
     78      -7.7760      1.00000
     79      -7.6983      1.00000
     80      -7.6798      1.00000
     81      -7.4107      1.00000
     82      -7.2846      1.00000
     83      -7.2471      1.00000
     84      -7.2035      1.00000
     85      -7.0806      1.00000
     86      -7.0734      1.00000
     87      -6.9455      1.00000
     88      -6.7113      1.00000
     89      -6.6749      1.00000
     90      -6.6294      1.00000
     91      -6.5555      1.00000
     92      -6.0681      1.00000
     93      -6.0278      1.00000
     94      -6.0061      1.00000
     95      -5.9402      1.00000
     96      -5.7992      1.00000
     97      -5.1834      1.00000
     98      -4.8960      1.00000
     99      -4.7943      1.00000
    100      -4.6088      1.00000
    101      -4.5127      1.00000
    102      -4.1418      1.00000
    103      -4.0920      1.00000
    104      -3.9322      1.00000
    105      -3.9177      1.00000
    106      -3.8316      1.00000
    107      -1.7513      0.00000
    108      -1.6951      0.00000
    109      -1.4113      0.00000
    110      -1.3705      0.00000
    111      -1.2649      0.00000
    112      -1.2337      0.00000
    113      -0.6230      0.00000
    114      -0.5941      0.00000
    115      -0.1924      0.00000
    116       0.0427      0.00000
    117       0.5827      0.00000
    118       0.7384      0.00000
    119       0.8487      0.00000
    120       0.9298      0.00000
    121       1.1690      0.00000
    122       1.2122      0.00000
    123       1.2495      0.00000
    124       1.4170      0.00000
    125       1.6011      0.00000
    126       1.6374      0.00000
    127       1.7025      0.00000
    128       1.8094      0.00000
    129       1.9229      0.00000
    130       1.9389      0.00000
    131       2.1482      0.00000
    132       2.1704      0.00000
    133       2.2590      0.00000
    134       2.2957      0.00000
    135       2.5471      0.00000
    136       2.5583      0.00000
    137       2.6407      0.00000
    138       2.7596      0.00000
    139       2.8126      0.00000
    140       2.8525      0.00000
    141       2.8940      0.00000
    142       2.9474      0.00000
    143       3.0180      0.00000
    144       3.0236      0.00000
    145       3.0808      0.00000
    146       3.3135      0.00000
    147       3.3777      0.00000
    148       3.4231      0.00000
    149       3.4835      0.00000
    150       3.5980      0.00000
    151       3.6582      0.00000
    152       3.6692      0.00000
    153       3.6830      0.00000
    154       3.9019      0.00000
    155       3.9741      0.00000
    156       4.0252      0.00000
    157       4.0720      0.00000
    158       4.2467      0.00000
    159       4.2568      0.00000
    160       4.2683      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1402      1.00000
      2     -22.0470      1.00000
      3     -21.8854      1.00000
      4     -21.3354      1.00000
      5     -20.9756      1.00000
      6     -20.9460      1.00000
      7     -20.4274      1.00000
      8     -20.3952      1.00000
      9     -20.2138      1.00000
     10     -20.2117      1.00000
     11     -19.8887      1.00000
     12     -19.8246      1.00000
     13     -18.8196      1.00000
     14     -18.7484      1.00000
     15     -18.2625      1.00000
     16     -18.2489      1.00000
     17     -18.0797      1.00000
     18     -18.0729      1.00000
     19     -17.7430      1.00000
     20     -17.7277      1.00000
     21     -17.1965      1.00000
     22     -17.1724      1.00000
     23     -17.0829      1.00000
     24     -17.0711      1.00000
     25     -16.0512      1.00000
     26     -15.8098      1.00000
     27     -15.8003      1.00000
     28     -15.7814      1.00000
     29     -15.1553      1.00000
     30     -14.4889      1.00000
     31     -14.4674      1.00000
     32     -14.2013      1.00000
     33     -13.9127      1.00000
     34     -13.8819      1.00000
     35     -13.7576      1.00000
     36     -13.7368      1.00000
     37     -13.5363      1.00000
     38     -13.5106      1.00000
     39     -13.2995      1.00000
     40     -12.5744      1.00000
     41     -12.1025      1.00000
     42     -12.0786      1.00000
     43     -12.0015      1.00000
     44     -11.9536      1.00000
     45     -11.5994      1.00000
     46     -11.5911      1.00000
     47     -11.0888      1.00000
     48     -11.0648      1.00000
     49     -10.7395      1.00000
     50     -10.6714      1.00000
     51     -10.5625      1.00000
     52     -10.1345      1.00000
     53     -10.1301      1.00000
     54     -10.0997      1.00000
     55      -9.9638      1.00000
     56      -9.9213      1.00000
     57      -9.9196      1.00000
     58      -9.7487      1.00000
     59      -9.7237      1.00000
     60      -9.6960      1.00000
     61      -9.6958      1.00000
     62      -9.4029      1.00000
     63      -9.3986      1.00000
     64      -9.0701      1.00000
     65      -8.9792      1.00000
     66      -8.9775      1.00000
     67      -8.9090      1.00000
     68      -8.8113      1.00000
     69      -8.6464      1.00000
     70      -8.6284      1.00000
     71      -8.5500      1.00000
     72      -8.5098      1.00000
     73      -8.4904      1.00000
     74      -8.3932      1.00000
     75      -8.3814      1.00000
     76      -8.2096      1.00000
     77      -8.1029      1.00000
     78      -8.0055      1.00000
     79      -7.9006      1.00000
     80      -7.8411      1.00000
     81      -7.6223      1.00000
     82      -7.5345      1.00000
     83      -7.4612      1.00000
     84      -7.2485      1.00000
     85      -6.9370      1.00000
     86      -6.8631      1.00000
     87      -6.8036      1.00000
     88      -6.4796      1.00000
     89      -6.4743      1.00000
     90      -6.4147      1.00000
     91      -6.3612      1.00000
     92      -6.1933      1.00000
     93      -5.8569      1.00000
     94      -5.7365      1.00000
     95      -5.7105      1.00000
     96      -5.5236      1.00000
     97      -5.3290      1.00000
     98      -5.1696      1.00000
     99      -5.1666      1.00000
    100      -5.1341      1.00000
    101      -4.6973      1.00000
    102      -4.3498      1.00000
    103      -4.2831      1.00000
    104      -4.0311      1.00000
    105      -3.8341      1.00000
    106      -3.2347      1.00000
    107      -2.4030      0.00000
    108      -1.3467      0.00000
    109      -1.2400      0.00000
    110      -1.1527      0.00000
    111      -1.1094      0.00000
    112      -0.5830      0.00000
    113      -0.5215      0.00000
    114      -0.4331      0.00000
    115      -0.2769      0.00000
    116      -0.0680      0.00000
    117      -0.0095      0.00000
    118       0.0626      0.00000
    119       0.5820      0.00000
    120       0.7098      0.00000
    121       0.8108      0.00000
    122       0.9425      0.00000
    123       1.1813      0.00000
    124       1.5103      0.00000
    125       1.6208      0.00000
    126       1.8516      0.00000
    127       2.0055      0.00000
    128       2.0496      0.00000
    129       2.1138      0.00000
    130       2.1640      0.00000
    131       2.2571      0.00000
    132       2.2848      0.00000
    133       2.3458      0.00000
    134       2.4682      0.00000
    135       2.6119      0.00000
    136       2.7002      0.00000
    137       2.8202      0.00000
    138       2.9191      0.00000
    139       2.9451      0.00000
    140       3.0338      0.00000
    141       3.0483      0.00000
    142       3.1546      0.00000
    143       3.1656      0.00000
    144       3.2230      0.00000
    145       3.2969      0.00000
    146       3.3104      0.00000
    147       3.3520      0.00000
    148       3.3717      0.00000
    149       3.4162      0.00000
    150       3.4489      0.00000
    151       3.5487      0.00000
    152       3.6127      0.00000
    153       3.7049      0.00000
    154       3.7373      0.00000
    155       3.8456      0.00000
    156       3.9038      0.00000
    157       3.9297      0.00000
    158       3.9572      0.00000
    159       4.1418      0.00000
    160       4.1761      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2128      1.00000
      2     -22.0073      1.00000
      3     -21.6458      1.00000
      4     -21.6150      1.00000
      5     -20.9090      1.00000
      6     -20.8686      1.00000
      7     -20.5380      1.00000
      8     -20.5046      1.00000
      9     -20.4990      1.00000
     10     -19.9599      1.00000
     11     -19.4426      1.00000
     12     -19.4202      1.00000
     13     -19.2413      1.00000
     14     -19.2339      1.00000
     15     -18.3735      1.00000
     16     -18.3386      1.00000
     17     -17.8594      1.00000
     18     -17.8429      1.00000
     19     -17.6882      1.00000
     20     -17.6524      1.00000
     21     -17.3726      1.00000
     22     -17.3580      1.00000
     23     -17.2619      1.00000
     24     -16.4175      1.00000
     25     -16.3938      1.00000
     26     -15.9014      1.00000
     27     -15.3461      1.00000
     28     -15.3412      1.00000
     29     -15.0337      1.00000
     30     -15.0239      1.00000
     31     -14.7731      1.00000
     32     -14.7712      1.00000
     33     -14.2342      1.00000
     34     -14.1833      1.00000
     35     -13.3846      1.00000
     36     -13.3298      1.00000
     37     -13.1123      1.00000
     38     -13.1041      1.00000
     39     -12.9157      1.00000
     40     -12.9097      1.00000
     41     -12.5460      1.00000
     42     -12.5382      1.00000
     43     -12.1271      1.00000
     44     -11.5200      1.00000
     45     -11.4753      1.00000
     46     -11.2499      1.00000
     47     -11.2181      1.00000
     48     -11.0801      1.00000
     49     -10.7107      1.00000
     50     -10.5985      1.00000
     51     -10.5109      1.00000
     52     -10.2463      1.00000
     53     -10.2426      1.00000
     54     -10.1215      1.00000
     55     -10.0577      1.00000
     56     -10.0415      1.00000
     57      -9.7851      1.00000
     58      -9.6828      1.00000
     59      -9.6700      1.00000
     60      -9.6332      1.00000
     61      -9.6234      1.00000
     62      -9.5854      1.00000
     63      -9.2923      1.00000
     64      -9.2794      1.00000
     65      -9.2627      1.00000
     66      -9.0680      1.00000
     67      -8.8910      1.00000
     68      -8.8799      1.00000
     69      -8.7182      1.00000
     70      -8.5836      1.00000
     71      -8.5352      1.00000
     72      -8.3501      1.00000
     73      -8.3051      1.00000
     74      -8.2433      1.00000
     75      -8.2349      1.00000
     76      -8.1973      1.00000
     77      -8.1838      1.00000
     78      -8.1743      1.00000
     79      -8.1117      1.00000
     80      -7.6887      1.00000
     81      -7.4146      1.00000
     82      -7.3400      1.00000
     83      -7.2533      1.00000
     84      -7.1616      1.00000
     85      -7.1107      1.00000
     86      -7.0038      1.00000
     87      -6.9050      1.00000
     88      -6.8474      1.00000
     89      -6.5497      1.00000
     90      -6.4907      1.00000
     91      -6.2152      1.00000
     92      -6.2093      1.00000
     93      -5.8928      1.00000
     94      -5.6743      1.00000
     95      -5.6081      1.00000
     96      -5.5806      1.00000
     97      -5.2512      1.00000
     98      -5.2300      1.00000
     99      -5.1636      1.00000
    100      -5.1341      1.00000
    101      -4.6007      1.00000
    102      -4.2528      1.00000
    103      -4.0477      1.00000
    104      -3.8863      1.00000
    105      -3.8458      1.00000
    106      -3.8029      1.00000
    107      -1.8064      0.00000
    108      -1.7790      0.00000
    109      -1.2266      0.00000
    110      -1.1721      0.00000
    111      -0.9752      0.00000
    112      -0.7358      0.00000
    113      -0.6497      0.00000
    114      -0.5949      0.00000
    115      -0.5476      0.00000
    116      -0.1499      0.00000
    117       0.1773      0.00000
    118       0.2899      0.00000
    119       0.7053      0.00000
    120       0.9482      0.00000
    121       1.1666      0.00000
    122       1.2768      0.00000
    123       1.3445      0.00000
    124       1.5123      0.00000
    125       1.6059      0.00000
    126       1.6263      0.00000
    127       1.6902      0.00000
    128       1.7770      0.00000
    129       1.8554      0.00000
    130       2.0821      0.00000
    131       2.1709      0.00000
    132       2.3188      0.00000
    133       2.3923      0.00000
    134       2.4258      0.00000
    135       2.5592      0.00000
    136       2.6221      0.00000
    137       2.6856      0.00000
    138       2.7536      0.00000
    139       2.8222      0.00000
    140       2.9126      0.00000
    141       3.0596      0.00000
    142       3.0638      0.00000
    143       3.1809      0.00000
    144       3.2786      0.00000
    145       3.3746      0.00000
    146       3.4122      0.00000
    147       3.4628      0.00000
    148       3.5507      0.00000
    149       3.5697      0.00000
    150       3.6274      0.00000
    151       3.6595      0.00000
    152       3.7005      0.00000
    153       3.7889      0.00000
    154       3.8059      0.00000
    155       3.8229      0.00000
    156       3.8936      0.00000
    157       3.9004      0.00000
    158       3.9782      0.00000
    159       4.1930      0.00000
    160       4.2347      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3555      1.00000
      2     -21.5359      1.00000
      3     -21.4058      1.00000
      4     -21.4058      1.00000
      5     -21.3744      1.00000
      6     -21.3643      1.00000
      7     -21.3570      1.00000
      8     -19.6460      1.00000
      9     -19.5698      1.00000
     10     -19.5658      1.00000
     11     -19.5568      1.00000
     12     -19.5390      1.00000
     13     -19.5374      1.00000
     14     -18.7283      1.00000
     15     -18.6761      1.00000
     16     -18.6727      1.00000
     17     -18.6590      1.00000
     18     -18.6434      1.00000
     19     -18.6388      1.00000
     20     -16.5885      1.00000
     21     -16.5231      1.00000
     22     -16.5225      1.00000
     23     -16.5132      1.00000
     24     -16.4849      1.00000
     25     -16.4839      1.00000
     26     -15.5567      1.00000
     27     -15.5263      1.00000
     28     -15.5253      1.00000
     29     -15.4996      1.00000
     30     -15.4924      1.00000
     31     -15.4887      1.00000
     32     -14.2051      1.00000
     33     -14.1802      1.00000
     34     -14.1692      1.00000
     35     -14.1667      1.00000
     36     -14.1560      1.00000
     37     -14.1465      1.00000
     38     -11.8846      1.00000
     39     -11.8075      1.00000
     40     -11.7930      1.00000
     41     -11.7914      1.00000
     42     -11.7881      1.00000
     43     -11.7825      1.00000
     44     -11.7071      1.00000
     45     -11.6952      1.00000
     46     -11.6685      1.00000
     47     -11.6634      1.00000
     48     -11.6562      1.00000
     49     -11.6463      1.00000
     50     -10.6760      1.00000
     51     -10.3276      1.00000
     52     -10.3214      1.00000
     53     -10.3059      1.00000
     54     -10.3016      1.00000
     55     -10.2914      1.00000
     56     -10.2774      1.00000
     57      -9.9296      1.00000
     58      -9.3723      1.00000
     59      -9.3594      1.00000
     60      -9.2999      1.00000
     61      -9.2907      1.00000
     62      -9.2840      1.00000
     63      -9.0887      1.00000
     64      -9.0638      1.00000
     65      -9.0459      1.00000
     66      -9.0295      1.00000
     67      -9.0029      1.00000
     68      -9.0007      1.00000
     69      -8.9982      1.00000
     70      -8.9953      1.00000
     71      -8.9921      1.00000
     72      -8.9678      1.00000
     73      -8.9676      1.00000
     74      -8.9521      1.00000
     75      -8.5078      1.00000
     76      -7.5152      1.00000
     77      -7.4148      1.00000
     78      -7.4069      1.00000
     79      -7.4007      1.00000
     80      -7.3811      1.00000
     81      -7.3591      1.00000
     82      -7.3403      1.00000
     83      -7.3118      1.00000
     84      -7.2697      1.00000
     85      -7.2048      1.00000
     86      -7.1793      1.00000
     87      -7.1792      1.00000
     88      -7.0721      1.00000
     89      -6.5083      1.00000
     90      -6.4618      1.00000
     91      -6.3559      1.00000
     92      -6.2935      1.00000
     93      -6.2864      1.00000
     94      -6.2851      1.00000
     95      -5.8921      1.00000
     96      -5.8890      1.00000
     97      -5.0530      1.00000
     98      -4.9380      1.00000
     99      -4.5401      1.00000
    100      -4.3415      1.00000
    101      -4.3171      1.00000
    102      -4.3162      1.00000
    103      -4.1164      1.00000
    104      -3.9136      1.00000
    105      -3.9003      1.00000
    106      -3.8379      1.00000
    107      -1.6824      0.00000
    108      -1.6673      0.00000
    109      -1.5369      0.00000
    110      -1.5330      0.00000
    111      -1.5222      0.00000
    112      -1.5093      0.00000
    113      -0.5837      0.00000
    114       0.1369      0.00000
    115       0.2037      0.00000
    116       0.3247      0.00000
    117       0.3291      0.00000
    118       0.3328      0.00000
    119       0.4960      0.00000
    120       0.5944      0.00000
    121       1.2610      0.00000
    122       1.2757      0.00000
    123       1.5250      0.00000
    124       1.7969      0.00000
    125       1.8044      0.00000
    126       1.8063      0.00000
    127       1.8096      0.00000
    128       1.9450      0.00000
    129       1.9757      0.00000
    130       2.0314      0.00000
    131       2.0452      0.00000
    132       2.0510      0.00000
    133       2.0552      0.00000
    134       2.0598      0.00000
    135       2.3075      0.00000
    136       2.3226      0.00000
    137       2.6072      0.00000
    138       2.6212      0.00000
    139       2.6426      0.00000
    140       2.7308      0.00000
    141       2.8549      0.00000
    142       3.0256      0.00000
    143       3.0675      0.00000
    144       3.0746      0.00000
    145       3.0976      0.00000
    146       3.1131      0.00000
    147       3.1151      0.00000
    148       3.2312      0.00000
    149       3.4492      0.00000
    150       3.5508      0.00000
    151       3.7840      0.00000
    152       3.9461      0.00000
    153       3.9464      0.00000
    154       3.9709      0.00000
    155       3.9752      0.00000
    156       4.0012      0.00000
    157       4.1762      0.00000
    158       4.2711      0.00000
    159       4.2856      0.00000
    160       4.2858      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3189      1.00000
      2     -21.7606      1.00000
      3     -21.5693      1.00000
      4     -21.5367      1.00000
      5     -21.2068      1.00000
      6     -21.1618      1.00000
      7     -20.9866      1.00000
      8     -20.1013      1.00000
      9     -20.0569      1.00000
     10     -19.5446      1.00000
     11     -19.5196      1.00000
     12     -19.3494      1.00000
     13     -19.0248      1.00000
     14     -18.9873      1.00000
     15     -18.9810      1.00000
     16     -18.9681      1.00000
     17     -18.2969      1.00000
     18     -18.2757      1.00000
     19     -17.9531      1.00000
     20     -17.0113      1.00000
     21     -16.9602      1.00000
     22     -16.8812      1.00000
     23     -16.8639      1.00000
     24     -16.4038      1.00000
     25     -16.3860      1.00000
     26     -15.5489      1.00000
     27     -15.5347      1.00000
     28     -15.1972      1.00000
     29     -15.1698      1.00000
     30     -15.1160      1.00000
     31     -15.0288      1.00000
     32     -15.0027      1.00000
     33     -14.6344      1.00000
     34     -14.6220      1.00000
     35     -13.6666      1.00000
     36     -13.6495      1.00000
     37     -13.1719      1.00000
     38     -12.5528      1.00000
     39     -12.5174      1.00000
     40     -12.3922      1.00000
     41     -12.3780      1.00000
     42     -12.0578      1.00000
     43     -12.0328      1.00000
     44     -11.6556      1.00000
     45     -11.6128      1.00000
     46     -11.1780      1.00000
     47     -11.1573      1.00000
     48     -10.9664      1.00000
     49     -10.9428      1.00000
     50     -10.8717      1.00000
     51     -10.8347      1.00000
     52     -10.6034      1.00000
     53     -10.0939      1.00000
     54     -10.0911      1.00000
     55     -10.0474      1.00000
     56      -9.9728      1.00000
     57      -9.6527      1.00000
     58      -9.6328      1.00000
     59      -9.5901      1.00000
     60      -9.5312      1.00000
     61      -9.5042      1.00000
     62      -9.4785      1.00000
     63      -9.2662      1.00000
     64      -9.2461      1.00000
     65      -9.2186      1.00000
     66      -9.1609      1.00000
     67      -9.0693      1.00000
     68      -9.0538      1.00000
     69      -9.0356      1.00000
     70      -8.8826      1.00000
     71      -8.8010      1.00000
     72      -8.5779      1.00000
     73      -8.5232      1.00000
     74      -8.4623      1.00000
     75      -8.0388      1.00000
     76      -7.8133      1.00000
     77      -7.8065      1.00000
     78      -7.7886      1.00000
     79      -7.7037      1.00000
     80      -7.6895      1.00000
     81      -7.3622      1.00000
     82      -7.2775      1.00000
     83      -7.2609      1.00000
     84      -7.2152      1.00000
     85      -7.1722      1.00000
     86      -7.0084      1.00000
     87      -6.9427      1.00000
     88      -6.7465      1.00000
     89      -6.6717      1.00000
     90      -6.5933      1.00000
     91      -6.5592      1.00000
     92      -6.0539      1.00000
     93      -6.0464      1.00000
     94      -6.0211      1.00000
     95      -5.9556      1.00000
     96      -5.7370      1.00000
     97      -5.1590      1.00000
     98      -4.9910      1.00000
     99      -4.7199      1.00000
    100      -4.6106      1.00000
    101      -4.4403      1.00000
    102      -4.3746      1.00000
    103      -4.1230      1.00000
    104      -3.8687      1.00000
    105      -3.8374      1.00000
    106      -3.7894      1.00000
    107      -1.7851      0.00000
    108      -1.7386      0.00000
    109      -1.3952      0.00000
    110      -1.3439      0.00000
    111      -1.2641      0.00000
    112      -1.2261      0.00000
    113      -0.7456      0.00000
    114      -0.3796      0.00000
    115      -0.2160      0.00000
    116      -0.0180      0.00000
    117       0.5905      0.00000
    118       0.7373      0.00000
    119       0.7633      0.00000
    120       1.0495      0.00000
    121       1.1411      0.00000
    122       1.2505      0.00000
    123       1.2721      0.00000
    124       1.4152      0.00000
    125       1.4774      0.00000
    126       1.5839      0.00000
    127       1.7599      0.00000
    128       1.8385      0.00000
    129       1.8972      0.00000
    130       1.9587      0.00000
    131       2.1070      0.00000
    132       2.2365      0.00000
    133       2.2472      0.00000
    134       2.2934      0.00000
    135       2.4839      0.00000
    136       2.6146      0.00000
    137       2.6379      0.00000
    138       2.7649      0.00000
    139       2.8032      0.00000
    140       2.8587      0.00000
    141       2.8722      0.00000
    142       2.8929      0.00000
    143       2.9616      0.00000
    144       3.0817      0.00000
    145       3.2847      0.00000
    146       3.3046      0.00000
    147       3.3760      0.00000
    148       3.4126      0.00000
    149       3.4670      0.00000
    150       3.5937      0.00000
    151       3.6398      0.00000
    152       3.6791      0.00000
    153       3.7107      0.00000
    154       3.9058      0.00000
    155       3.9403      0.00000
    156       3.9826      0.00000
    157       4.0844      0.00000
    158       4.1997      0.00000
    159       4.2515      0.00000
    160       4.2968      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2134      1.00000
      2     -22.0070      1.00000
      3     -21.6480      1.00000
      4     -21.6110      1.00000
      5     -20.9122      1.00000
      6     -20.8657      1.00000
      7     -20.5451      1.00000
      8     -20.5062      1.00000
      9     -20.4949      1.00000
     10     -19.9636      1.00000
     11     -19.4410      1.00000
     12     -19.4133      1.00000
     13     -19.2400      1.00000
     14     -19.2251      1.00000
     15     -18.3847      1.00000
     16     -18.3400      1.00000
     17     -17.8604      1.00000
     18     -17.8364      1.00000
     19     -17.6987      1.00000
     20     -17.6557      1.00000
     21     -17.3733      1.00000
     22     -17.3528      1.00000
     23     -17.2760      1.00000
     24     -16.3988      1.00000
     25     -16.3834      1.00000
     26     -15.8971      1.00000
     27     -15.3492      1.00000
     28     -15.3360      1.00000
     29     -15.0316      1.00000
     30     -15.0197      1.00000
     31     -14.8003      1.00000
     32     -14.7757      1.00000
     33     -14.2237      1.00000
     34     -14.1900      1.00000
     35     -13.3732      1.00000
     36     -13.3373      1.00000
     37     -13.1199      1.00000
     38     -13.0999      1.00000
     39     -12.9165      1.00000
     40     -12.9028      1.00000
     41     -12.5573      1.00000
     42     -12.5364      1.00000
     43     -12.1359      1.00000
     44     -11.5189      1.00000
     45     -11.4698      1.00000
     46     -11.2510      1.00000
     47     -11.2160      1.00000
     48     -11.0826      1.00000
     49     -10.6594      1.00000
     50     -10.5888      1.00000
     51     -10.5223      1.00000
     52     -10.2655      1.00000
     53     -10.2451      1.00000
     54     -10.1218      1.00000
     55     -10.0492      1.00000
     56     -10.0369      1.00000
     57      -9.7695      1.00000
     58      -9.7134      1.00000
     59      -9.6755      1.00000
     60      -9.6344      1.00000
     61      -9.6254      1.00000
     62      -9.5868      1.00000
     63      -9.2992      1.00000
     64      -9.2842      1.00000
     65      -9.2481      1.00000
     66      -9.0906      1.00000
     67      -8.9031      1.00000
     68      -8.8803      1.00000
     69      -8.7243      1.00000
     70      -8.5906      1.00000
     71      -8.5092      1.00000
     72      -8.3315      1.00000
     73      -8.3023      1.00000
     74      -8.2645      1.00000
     75      -8.2329      1.00000
     76      -8.1956      1.00000
     77      -8.1827      1.00000
     78      -8.1667      1.00000
     79      -8.1054      1.00000
     80      -7.6890      1.00000
     81      -7.3564      1.00000
     82      -7.3096      1.00000
     83      -7.2655      1.00000
     84      -7.1898      1.00000
     85      -7.1245      1.00000
     86      -7.0761      1.00000
     87      -6.9053      1.00000
     88      -6.8816      1.00000
     89      -6.5451      1.00000
     90      -6.4960      1.00000
     91      -6.2059      1.00000
     92      -6.0704      1.00000
     93      -5.9432      1.00000
     94      -5.7153      1.00000
     95      -5.6335      1.00000
     96      -5.4529      1.00000
     97      -5.3048      1.00000
     98      -5.2353      1.00000
     99      -5.1534      1.00000
    100      -5.1499      1.00000
    101      -4.5248      1.00000
    102      -4.4717      1.00000
    103      -4.1444      1.00000
    104      -3.8405      1.00000
    105      -3.7570      1.00000
    106      -3.6781      1.00000
    107      -1.8715      0.00000
    108      -1.8241      0.00000
    109      -1.2782      0.00000
    110      -1.0330      0.00000
    111      -1.0126      0.00000
    112      -0.7129      0.00000
    113      -0.6371      0.00000
    114      -0.5884      0.00000
    115      -0.5461      0.00000
    116      -0.2003      0.00000
    117       0.2519      0.00000
    118       0.2783      0.00000
    119       0.7597      0.00000
    120       0.9455      0.00000
    121       1.1344      0.00000
    122       1.2243      0.00000
    123       1.3204      0.00000
    124       1.4149      0.00000
    125       1.5996      0.00000
    126       1.6341      0.00000
    127       1.6977      0.00000
    128       1.8288      0.00000
    129       1.9201      0.00000
    130       2.0082      0.00000
    131       2.1056      0.00000
    132       2.3348      0.00000
    133       2.3935      0.00000
    134       2.4321      0.00000
    135       2.5382      0.00000
    136       2.6338      0.00000
    137       2.7638      0.00000
    138       2.8279      0.00000
    139       2.8340      0.00000
    140       2.8900      0.00000
    141       3.0440      0.00000
    142       3.0863      0.00000
    143       3.1869      0.00000
    144       3.2367      0.00000
    145       3.3807      0.00000
    146       3.4206      0.00000
    147       3.4854      0.00000
    148       3.5842      0.00000
    149       3.6044      0.00000
    150       3.6303      0.00000
    151       3.6503      0.00000
    152       3.7424      0.00000
    153       3.7722      0.00000
    154       3.7881      0.00000
    155       3.8130      0.00000
    156       3.8947      0.00000
    157       3.9738      0.00000
    158       4.0077      0.00000
    159       4.1769      0.00000
    160       4.2493      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2472      1.00000
      2     -21.8928      1.00000
      3     -21.8220      1.00000
      4     -21.3102      1.00000
      5     -21.2798      1.00000
      6     -20.7705      1.00000
      7     -20.7044      1.00000
      8     -20.5566      1.00000
      9     -20.0067      1.00000
     10     -19.9990      1.00000
     11     -19.6476      1.00000
     12     -19.6232      1.00000
     13     -18.9282      1.00000
     14     -18.9195      1.00000
     15     -18.5667      1.00000
     16     -18.5533      1.00000
     17     -18.3959      1.00000
     18     -17.6176      1.00000
     19     -17.5603      1.00000
     20     -17.5555      1.00000
     21     -17.5143      1.00000
     22     -17.0535      1.00000
     23     -17.0364      1.00000
     24     -16.8855      1.00000
     25     -15.9247      1.00000
     26     -15.8646      1.00000
     27     -15.5167      1.00000
     28     -15.5160      1.00000
     29     -15.2286      1.00000
     30     -14.7932      1.00000
     31     -14.7661      1.00000
     32     -14.5185      1.00000
     33     -14.4739      1.00000
     34     -14.0966      1.00000
     35     -14.0850      1.00000
     36     -13.0745      1.00000
     37     -13.0360      1.00000
     38     -12.9703      1.00000
     39     -12.9582      1.00000
     40     -12.6484      1.00000
     41     -12.6414      1.00000
     42     -12.2707      1.00000
     43     -12.2390      1.00000
     44     -11.5832      1.00000
     45     -11.5546      1.00000
     46     -11.5032      1.00000
     47     -10.9021      1.00000
     48     -10.8468      1.00000
     49     -10.6242      1.00000
     50     -10.5615      1.00000
     51     -10.4855      1.00000
     52     -10.4285      1.00000
     53     -10.4190      1.00000
     54     -10.3722      1.00000
     55     -10.3018      1.00000
     56     -10.0657      1.00000
     57      -9.8323      1.00000
     58      -9.5571      1.00000
     59      -9.4967      1.00000
     60      -9.4725      1.00000
     61      -9.3408      1.00000
     62      -9.3309      1.00000
     63      -9.3169      1.00000
     64      -9.3100      1.00000
     65      -9.2130      1.00000
     66      -9.1072      1.00000
     67      -9.0743      1.00000
     68      -9.0457      1.00000
     69      -8.8492      1.00000
     70      -8.7868      1.00000
     71      -8.7695      1.00000
     72      -8.5270      1.00000
     73      -8.4769      1.00000
     74      -8.2257      1.00000
     75      -8.1068      1.00000
     76      -8.0948      1.00000
     77      -7.8088      1.00000
     78      -7.7877      1.00000
     79      -7.7875      1.00000
     80      -7.6735      1.00000
     81      -7.6342      1.00000
     82      -7.6317      1.00000
     83      -7.3991      1.00000
     84      -7.3246      1.00000
     85      -7.1960      1.00000
     86      -6.8372      1.00000
     87      -6.8256      1.00000
     88      -6.6626      1.00000
     89      -6.5376      1.00000
     90      -6.3499      1.00000
     91      -6.3070      1.00000
     92      -6.1812      1.00000
     93      -6.1412      1.00000
     94      -5.9783      1.00000
     95      -5.5733      1.00000
     96      -5.4271      1.00000
     97      -5.2599      1.00000
     98      -5.2526      1.00000
     99      -5.1504      1.00000
    100      -4.6942      1.00000
    101      -4.6650      1.00000
    102      -4.3494      1.00000
    103      -4.3173      1.00000
    104      -3.9656      1.00000
    105      -3.8343      1.00000
    106      -3.3870      1.00000
    107      -2.2207      0.00000
    108      -1.3767      0.00000
    109      -1.2850      0.00000
    110      -1.1735      0.00000
    111      -1.0783      0.00000
    112      -0.8950      0.00000
    113      -0.7682      0.00000
    114      -0.7580      0.00000
    115      -0.2156      0.00000
    116       0.1170      0.00000
    117       0.2676      0.00000
    118       0.3459      0.00000
    119       0.7328      0.00000
    120       0.9026      0.00000
    121       0.9706      0.00000
    122       1.0953      0.00000
    123       1.2077      0.00000
    124       1.5290      0.00000
    125       1.5630      0.00000
    126       1.7164      0.00000
    127       1.8370      0.00000
    128       1.8602      0.00000
    129       1.9678      0.00000
    130       1.9998      0.00000
    131       2.1573      0.00000
    132       2.2633      0.00000
    133       2.4529      0.00000
    134       2.4801      0.00000
    135       2.5082      0.00000
    136       2.6686      0.00000
    137       2.6875      0.00000
    138       2.7307      0.00000
    139       2.7481      0.00000
    140       2.8901      0.00000
    141       3.0204      0.00000
    142       3.0804      0.00000
    143       3.2028      0.00000
    144       3.2622      0.00000
    145       3.2627      0.00000
    146       3.2681      0.00000
    147       3.3691      0.00000
    148       3.4784      0.00000
    149       3.5312      0.00000
    150       3.6954      0.00000
    151       3.7578      0.00000
    152       3.7684      0.00000
    153       3.8322      0.00000
    154       3.8794      0.00000
    155       3.9414      0.00000
    156       3.9881      0.00000
    157       4.0231      0.00000
    158       4.0571      0.00000
    159       4.0617      0.00000
    160       4.1268      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1413      1.00000
      2     -22.0458      1.00000
      3     -21.8855      1.00000
      4     -21.3334      1.00000
      5     -20.9811      1.00000
      6     -20.9425      1.00000
      7     -20.4327      1.00000
      8     -20.3898      1.00000
      9     -20.2264      1.00000
     10     -20.2049      1.00000
     11     -19.8876      1.00000
     12     -19.8196      1.00000
     13     -18.8131      1.00000
     14     -18.7415      1.00000
     15     -18.2908      1.00000
     16     -18.2367      1.00000
     17     -18.0861      1.00000
     18     -18.0638      1.00000
     19     -17.7625      1.00000
     20     -17.7189      1.00000
     21     -17.1907      1.00000
     22     -17.1651      1.00000
     23     -17.1015      1.00000
     24     -17.0613      1.00000
     25     -16.0382      1.00000
     26     -15.8203      1.00000
     27     -15.7990      1.00000
     28     -15.7617      1.00000
     29     -15.1748      1.00000
     30     -14.4884      1.00000
     31     -14.4562      1.00000
     32     -14.2186      1.00000
     33     -13.8986      1.00000
     34     -13.8897      1.00000
     35     -13.7578      1.00000
     36     -13.7342      1.00000
     37     -13.5516      1.00000
     38     -13.5015      1.00000
     39     -13.2996      1.00000
     40     -12.5644      1.00000
     41     -12.1246      1.00000
     42     -12.0643      1.00000
     43     -12.0078      1.00000
     44     -11.9488      1.00000
     45     -11.6141      1.00000
     46     -11.5906      1.00000
     47     -11.0831      1.00000
     48     -11.0498      1.00000
     49     -10.7508      1.00000
     50     -10.6591      1.00000
     51     -10.5276      1.00000
     52     -10.1561      1.00000
     53     -10.1349      1.00000
     54     -10.0956      1.00000
     55      -9.9562      1.00000
     56      -9.9476      1.00000
     57      -9.9158      1.00000
     58      -9.7402      1.00000
     59      -9.7330      1.00000
     60      -9.6975      1.00000
     61      -9.6919      1.00000
     62      -9.4292      1.00000
     63      -9.3592      1.00000
     64      -9.0874      1.00000
     65      -9.0127      1.00000
     66      -8.9715      1.00000
     67      -8.8861      1.00000
     68      -8.8107      1.00000
     69      -8.6597      1.00000
     70      -8.6390      1.00000
     71      -8.5796      1.00000
     72      -8.4743      1.00000
     73      -8.4630      1.00000
     74      -8.4001      1.00000
     75      -8.3923      1.00000
     76      -8.1830      1.00000
     77      -8.1157      1.00000
     78      -7.9769      1.00000
     79      -7.9173      1.00000
     80      -7.8483      1.00000
     81      -7.6181      1.00000
     82      -7.5290      1.00000
     83      -7.4662      1.00000
     84      -7.2509      1.00000
     85      -6.9373      1.00000
     86      -6.8607      1.00000
     87      -6.8132      1.00000
     88      -6.5749      1.00000
     89      -6.4646      1.00000
     90      -6.4165      1.00000
     91      -6.3551      1.00000
     92      -6.0530      1.00000
     93      -5.8786      1.00000
     94      -5.7521      1.00000
     95      -5.7225      1.00000
     96      -5.4774      1.00000
     97      -5.3469      1.00000
     98      -5.1806      1.00000
     99      -5.1573      1.00000
    100      -5.1531      1.00000
    101      -4.7072      1.00000
    102      -4.4420      1.00000
    103      -4.2572      1.00000
    104      -3.9974      1.00000
    105      -3.8331      1.00000
    106      -3.1546      1.00000
    107      -2.4633      0.00000
    108      -1.3802      0.00000
    109      -1.2396      0.00000
    110      -1.1468      0.00000
    111      -1.1132      0.00000
    112      -0.5635      0.00000
    113      -0.4344      0.00000
    114      -0.4295      0.00000
    115      -0.3074      0.00000
    116      -0.1899      0.00000
    117       0.0609      0.00000
    118       0.1171      0.00000
    119       0.5418      0.00000
    120       0.6840      0.00000
    121       0.8715      0.00000
    122       0.9670      0.00000
    123       1.1100      0.00000
    124       1.4970      0.00000
    125       1.6646      0.00000
    126       1.7964      0.00000
    127       1.8770      0.00000
    128       2.0908      0.00000
    129       2.1353      0.00000
    130       2.2006      0.00000
    131       2.2180      0.00000
    132       2.3403      0.00000
    133       2.3668      0.00000
    134       2.4880      0.00000
    135       2.5842      0.00000
    136       2.6668      0.00000
    137       2.8766      0.00000
    138       2.9360      0.00000
    139       2.9666      0.00000
    140       2.9925      0.00000
    141       3.0500      0.00000
    142       3.1493      0.00000
    143       3.1888      0.00000
    144       3.2560      0.00000
    145       3.2899      0.00000
    146       3.3301      0.00000
    147       3.3520      0.00000
    148       3.3788      0.00000
    149       3.4003      0.00000
    150       3.4947      0.00000
    151       3.5528      0.00000
    152       3.6340      0.00000
    153       3.6977      0.00000
    154       3.7082      0.00000
    155       3.7280      0.00000
    156       3.9195      0.00000
    157       3.9441      0.00000
    158       4.0585      0.00000
    159       4.0884      0.00000
    160       4.1997      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2469      1.00000
      2     -21.8943      1.00000
      3     -21.8204      1.00000
      4     -21.3157      1.00000
      5     -21.2767      1.00000
      6     -20.7704      1.00000
      7     -20.7010      1.00000
      8     -20.5530      1.00000
      9     -20.0229      1.00000
     10     -19.9901      1.00000
     11     -19.6494      1.00000
     12     -19.6178      1.00000
     13     -18.9434      1.00000
     14     -18.9077      1.00000
     15     -18.5847      1.00000
     16     -18.5470      1.00000
     17     -18.3898      1.00000
     18     -17.6015      1.00000
     19     -17.5667      1.00000
     20     -17.5395      1.00000
     21     -17.5058      1.00000
     22     -17.0753      1.00000
     23     -17.0267      1.00000
     24     -16.9018      1.00000
     25     -15.9471      1.00000
     26     -15.8513      1.00000
     27     -15.5316      1.00000
     28     -15.5055      1.00000
     29     -15.2081      1.00000
     30     -14.8135      1.00000
     31     -14.7607      1.00000
     32     -14.5072      1.00000
     33     -14.4652      1.00000
     34     -14.0991      1.00000
     35     -14.0936      1.00000
     36     -13.1047      1.00000
     37     -13.0275      1.00000
     38     -12.9530      1.00000
     39     -12.9477      1.00000
     40     -12.6539      1.00000
     41     -12.6246      1.00000
     42     -12.2744      1.00000
     43     -12.2482      1.00000
     44     -11.5763      1.00000
     45     -11.5549      1.00000
     46     -11.5007      1.00000
     47     -10.8773      1.00000
     48     -10.8730      1.00000
     49     -10.6843      1.00000
     50     -10.5236      1.00000
     51     -10.5185      1.00000
     52     -10.4384      1.00000
     53     -10.4139      1.00000
     54     -10.3686      1.00000
     55     -10.2830      1.00000
     56     -10.0608      1.00000
     57      -9.8310      1.00000
     58      -9.5558      1.00000
     59      -9.4792      1.00000
     60      -9.4443      1.00000
     61      -9.3646      1.00000
     62      -9.3337      1.00000
     63      -9.3030      1.00000
     64      -9.2992      1.00000
     65      -9.2062      1.00000
     66      -9.1016      1.00000
     67      -9.0705      1.00000
     68      -9.0501      1.00000
     69      -8.8530      1.00000
     70      -8.8055      1.00000
     71      -8.7744      1.00000
     72      -8.5256      1.00000
     73      -8.4980      1.00000
     74      -8.2298      1.00000
     75      -8.1352      1.00000
     76      -8.0904      1.00000
     77      -7.8042      1.00000
     78      -7.7639      1.00000
     79      -7.7378      1.00000
     80      -7.7052      1.00000
     81      -7.6324      1.00000
     82      -7.6240      1.00000
     83      -7.3870      1.00000
     84      -7.3421      1.00000
     85      -7.2163      1.00000
     86      -6.8431      1.00000
     87      -6.8225      1.00000
     88      -6.6400      1.00000
     89      -6.5297      1.00000
     90      -6.3375      1.00000
     91      -6.2740      1.00000
     92      -6.1961      1.00000
     93      -6.1343      1.00000
     94      -6.0209      1.00000
     95      -5.6376      1.00000
     96      -5.5089      1.00000
     97      -5.2962      1.00000
     98      -5.1545      1.00000
     99      -5.0410      1.00000
    100      -4.7266      1.00000
    101      -4.6864      1.00000
    102      -4.3693      1.00000
    103      -4.1865      1.00000
    104      -4.0106      1.00000
    105      -3.8326      1.00000
    106      -3.4846      1.00000
    107      -2.1635      0.00000
    108      -1.3845      0.00000
    109      -1.2351      0.00000
    110      -1.1839      0.00000
    111      -1.0152      0.00000
    112      -0.9528      0.00000
    113      -0.7966      0.00000
    114      -0.7510      0.00000
    115      -0.3640      0.00000
    116       0.2436      0.00000
    117       0.2755      0.00000
    118       0.3649      0.00000
    119       0.6997      0.00000
    120       0.8705      0.00000
    121       0.9653      0.00000
    122       1.1275      0.00000
    123       1.2336      0.00000
    124       1.4577      0.00000
    125       1.5538      0.00000
    126       1.7817      0.00000
    127       1.8529      0.00000
    128       1.8852      0.00000
    129       1.9834      0.00000
    130       2.0302      0.00000
    131       2.1987      0.00000
    132       2.2115      0.00000
    133       2.4028      0.00000
    134       2.4513      0.00000
    135       2.5640      0.00000
    136       2.6567      0.00000
    137       2.6840      0.00000
    138       2.7269      0.00000
    139       2.7700      0.00000
    140       2.8584      0.00000
    141       2.9665      0.00000
    142       3.0829      0.00000
    143       3.1930      0.00000
    144       3.2430      0.00000
    145       3.2582      0.00000
    146       3.2980      0.00000
    147       3.3360      0.00000
    148       3.4834      0.00000
    149       3.5048      0.00000
    150       3.7060      0.00000
    151       3.7213      0.00000
    152       3.7703      0.00000
    153       3.8593      0.00000
    154       3.8764      0.00000
    155       3.9010      0.00000
    156       3.9986      0.00000
    157       4.0031      0.00000
    158       4.0569      0.00000
    159       4.0759      0.00000
    160       4.1308      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3188      1.00000
      2     -21.7604      1.00000
      3     -21.5670      1.00000
      4     -21.5404      1.00000
      5     -21.2042      1.00000
      6     -21.1656      1.00000
      7     -20.9838      1.00000
      8     -20.0971      1.00000
      9     -20.0585      1.00000
     10     -19.5478      1.00000
     11     -19.5273      1.00000
     12     -19.3417      1.00000
     13     -19.0272      1.00000
     14     -18.9884      1.00000
     15     -18.9770      1.00000
     16     -18.9702      1.00000
     17     -18.2965      1.00000
     18     -18.2827      1.00000
     19     -17.9419      1.00000
     20     -16.9972      1.00000
     21     -16.9560      1.00000
     22     -16.8822      1.00000
     23     -16.8695      1.00000
     24     -16.4194      1.00000
     25     -16.3966      1.00000
     26     -15.5427      1.00000
     27     -15.5393      1.00000
     28     -15.1706      1.00000
     29     -15.1694      1.00000
     30     -15.1267      1.00000
     31     -15.0328      1.00000
     32     -14.9977      1.00000
     33     -14.6356      1.00000
     34     -14.6286      1.00000
     35     -13.6643      1.00000
     36     -13.6543      1.00000
     37     -13.1649      1.00000
     38     -12.5710      1.00000
     39     -12.5106      1.00000
     40     -12.3822      1.00000
     41     -12.3819      1.00000
     42     -12.0353      1.00000
     43     -12.0311      1.00000
     44     -11.6614      1.00000
     45     -11.6209      1.00000
     46     -11.2087      1.00000
     47     -11.1588      1.00000
     48     -10.9513      1.00000
     49     -10.9373      1.00000
     50     -10.8637      1.00000
     51     -10.8311      1.00000
     52     -10.6267      1.00000
     53     -10.1457      1.00000
     54     -10.0815      1.00000
     55     -10.0197      1.00000
     56      -9.9437      1.00000
     57      -9.6300      1.00000
     58      -9.6271      1.00000
     59      -9.6016      1.00000
     60      -9.5435      1.00000
     61      -9.5063      1.00000
     62      -9.4795      1.00000
     63      -9.2715      1.00000
     64      -9.2298      1.00000
     65      -9.2036      1.00000
     66      -9.1888      1.00000
     67      -9.0618      1.00000
     68      -9.0421      1.00000
     69      -9.0386      1.00000
     70      -8.8757      1.00000
     71      -8.8179      1.00000
     72      -8.5410      1.00000
     73      -8.5364      1.00000
     74      -8.5070      1.00000
     75      -8.0232      1.00000
     76      -7.8371      1.00000
     77      -7.8013      1.00000
     78      -7.7760      1.00000
     79      -7.6983      1.00000
     80      -7.6798      1.00000
     81      -7.4107      1.00000
     82      -7.2846      1.00000
     83      -7.2471      1.00000
     84      -7.2035      1.00000
     85      -7.0806      1.00000
     86      -7.0734      1.00000
     87      -6.9455      1.00000
     88      -6.7113      1.00000
     89      -6.6749      1.00000
     90      -6.6294      1.00000
     91      -6.5555      1.00000
     92      -6.0681      1.00000
     93      -6.0278      1.00000
     94      -6.0061      1.00000
     95      -5.9402      1.00000
     96      -5.7992      1.00000
     97      -5.1834      1.00000
     98      -4.8960      1.00000
     99      -4.7943      1.00000
    100      -4.6088      1.00000
    101      -4.5127      1.00000
    102      -4.1418      1.00000
    103      -4.0920      1.00000
    104      -3.9322      1.00000
    105      -3.9177      1.00000
    106      -3.8316      1.00000
    107      -1.7513      0.00000
    108      -1.6951      0.00000
    109      -1.4113      0.00000
    110      -1.3705      0.00000
    111      -1.2649      0.00000
    112      -1.2337      0.00000
    113      -0.6230      0.00000
    114      -0.5941      0.00000
    115      -0.1924      0.00000
    116       0.0427      0.00000
    117       0.5827      0.00000
    118       0.7384      0.00000
    119       0.8487      0.00000
    120       0.9298      0.00000
    121       1.1690      0.00000
    122       1.2122      0.00000
    123       1.2495      0.00000
    124       1.4170      0.00000
    125       1.6011      0.00000
    126       1.6374      0.00000
    127       1.7025      0.00000
    128       1.8094      0.00000
    129       1.9229      0.00000
    130       1.9389      0.00000
    131       2.1482      0.00000
    132       2.1704      0.00000
    133       2.2590      0.00000
    134       2.2957      0.00000
    135       2.5472      0.00000
    136       2.5583      0.00000
    137       2.6407      0.00000
    138       2.7596      0.00000
    139       2.8126      0.00000
    140       2.8525      0.00000
    141       2.8940      0.00000
    142       2.9474      0.00000
    143       3.0180      0.00000
    144       3.0236      0.00000
    145       3.0808      0.00000
    146       3.3135      0.00000
    147       3.3777      0.00000
    148       3.4231      0.00000
    149       3.4835      0.00000
    150       3.5980      0.00000
    151       3.6582      0.00000
    152       3.6692      0.00000
    153       3.6830      0.00000
    154       3.9019      0.00000
    155       3.9741      0.00000
    156       4.0252      0.00000
    157       4.0720      0.00000
    158       4.2467      0.00000
    159       4.2568      0.00000
    160       4.2683      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1402      1.00000
      2     -22.0470      1.00000
      3     -21.8854      1.00000
      4     -21.3354      1.00000
      5     -20.9756      1.00000
      6     -20.9460      1.00000
      7     -20.4274      1.00000
      8     -20.3952      1.00000
      9     -20.2138      1.00000
     10     -20.2117      1.00000
     11     -19.8887      1.00000
     12     -19.8246      1.00000
     13     -18.8196      1.00000
     14     -18.7484      1.00000
     15     -18.2625      1.00000
     16     -18.2489      1.00000
     17     -18.0797      1.00000
     18     -18.0729      1.00000
     19     -17.7430      1.00000
     20     -17.7277      1.00000
     21     -17.1965      1.00000
     22     -17.1724      1.00000
     23     -17.0829      1.00000
     24     -17.0711      1.00000
     25     -16.0512      1.00000
     26     -15.8098      1.00000
     27     -15.8003      1.00000
     28     -15.7814      1.00000
     29     -15.1553      1.00000
     30     -14.4889      1.00000
     31     -14.4674      1.00000
     32     -14.2013      1.00000
     33     -13.9127      1.00000
     34     -13.8819      1.00000
     35     -13.7576      1.00000
     36     -13.7368      1.00000
     37     -13.5363      1.00000
     38     -13.5106      1.00000
     39     -13.2995      1.00000
     40     -12.5744      1.00000
     41     -12.1025      1.00000
     42     -12.0786      1.00000
     43     -12.0015      1.00000
     44     -11.9536      1.00000
     45     -11.5994      1.00000
     46     -11.5911      1.00000
     47     -11.0888      1.00000
     48     -11.0648      1.00000
     49     -10.7395      1.00000
     50     -10.6714      1.00000
     51     -10.5625      1.00000
     52     -10.1345      1.00000
     53     -10.1301      1.00000
     54     -10.0997      1.00000
     55      -9.9638      1.00000
     56      -9.9213      1.00000
     57      -9.9196      1.00000
     58      -9.7487      1.00000
     59      -9.7237      1.00000
     60      -9.6960      1.00000
     61      -9.6958      1.00000
     62      -9.4029      1.00000
     63      -9.3986      1.00000
     64      -9.0701      1.00000
     65      -8.9792      1.00000
     66      -8.9775      1.00000
     67      -8.9090      1.00000
     68      -8.8113      1.00000
     69      -8.6464      1.00000
     70      -8.6284      1.00000
     71      -8.5500      1.00000
     72      -8.5098      1.00000
     73      -8.4904      1.00000
     74      -8.3932      1.00000
     75      -8.3814      1.00000
     76      -8.2096      1.00000
     77      -8.1029      1.00000
     78      -8.0055      1.00000
     79      -7.9006      1.00000
     80      -7.8411      1.00000
     81      -7.6223      1.00000
     82      -7.5345      1.00000
     83      -7.4612      1.00000
     84      -7.2485      1.00000
     85      -6.9370      1.00000
     86      -6.8631      1.00000
     87      -6.8036      1.00000
     88      -6.4796      1.00000
     89      -6.4743      1.00000
     90      -6.4147      1.00000
     91      -6.3612      1.00000
     92      -6.1933      1.00000
     93      -5.8569      1.00000
     94      -5.7365      1.00000
     95      -5.7105      1.00000
     96      -5.5236      1.00000
     97      -5.3290      1.00000
     98      -5.1696      1.00000
     99      -5.1666      1.00000
    100      -5.1341      1.00000
    101      -4.6973      1.00000
    102      -4.3498      1.00000
    103      -4.2831      1.00000
    104      -4.0311      1.00000
    105      -3.8341      1.00000
    106      -3.2347      1.00000
    107      -2.4030      0.00000
    108      -1.3467      0.00000
    109      -1.2400      0.00000
    110      -1.1527      0.00000
    111      -1.1094      0.00000
    112      -0.5830      0.00000
    113      -0.5215      0.00000
    114      -0.4331      0.00000
    115      -0.2769      0.00000
    116      -0.0680      0.00000
    117      -0.0095      0.00000
    118       0.0626      0.00000
    119       0.5820      0.00000
    120       0.7098      0.00000
    121       0.8108      0.00000
    122       0.9425      0.00000
    123       1.1813      0.00000
    124       1.5103      0.00000
    125       1.6208      0.00000
    126       1.8516      0.00000
    127       2.0055      0.00000
    128       2.0496      0.00000
    129       2.1138      0.00000
    130       2.1640      0.00000
    131       2.2571      0.00000
    132       2.2848      0.00000
    133       2.3458      0.00000
    134       2.4682      0.00000
    135       2.6119      0.00000
    136       2.7002      0.00000
    137       2.8202      0.00000
    138       2.9191      0.00000
    139       2.9451      0.00000
    140       3.0338      0.00000
    141       3.0484      0.00000
    142       3.1546      0.00000
    143       3.1656      0.00000
    144       3.2231      0.00000
    145       3.2969      0.00000
    146       3.3104      0.00000
    147       3.3520      0.00000
    148       3.3717      0.00000
    149       3.4162      0.00000
    150       3.4489      0.00000
    151       3.5487      0.00000
    152       3.6127      0.00000
    153       3.7049      0.00000
    154       3.7373      0.00000
    155       3.8456      0.00000
    156       3.9038      0.00000
    157       3.9297      0.00000
    158       3.9572      0.00000
    159       4.1418      0.00000
    160       4.1761      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2128      1.00000
      2     -22.0073      1.00000
      3     -21.6458      1.00000
      4     -21.6150      1.00000
      5     -20.9090      1.00000
      6     -20.8686      1.00000
      7     -20.5380      1.00000
      8     -20.5046      1.00000
      9     -20.4990      1.00000
     10     -19.9599      1.00000
     11     -19.4426      1.00000
     12     -19.4202      1.00000
     13     -19.2413      1.00000
     14     -19.2339      1.00000
     15     -18.3735      1.00000
     16     -18.3386      1.00000
     17     -17.8594      1.00000
     18     -17.8429      1.00000
     19     -17.6882      1.00000
     20     -17.6524      1.00000
     21     -17.3726      1.00000
     22     -17.3580      1.00000
     23     -17.2619      1.00000
     24     -16.4175      1.00000
     25     -16.3938      1.00000
     26     -15.9014      1.00000
     27     -15.3461      1.00000
     28     -15.3412      1.00000
     29     -15.0337      1.00000
     30     -15.0239      1.00000
     31     -14.7731      1.00000
     32     -14.7712      1.00000
     33     -14.2342      1.00000
     34     -14.1833      1.00000
     35     -13.3846      1.00000
     36     -13.3298      1.00000
     37     -13.1123      1.00000
     38     -13.1041      1.00000
     39     -12.9157      1.00000
     40     -12.9097      1.00000
     41     -12.5460      1.00000
     42     -12.5382      1.00000
     43     -12.1271      1.00000
     44     -11.5200      1.00000
     45     -11.4753      1.00000
     46     -11.2499      1.00000
     47     -11.2181      1.00000
     48     -11.0801      1.00000
     49     -10.7107      1.00000
     50     -10.5985      1.00000
     51     -10.5109      1.00000
     52     -10.2463      1.00000
     53     -10.2426      1.00000
     54     -10.1215      1.00000
     55     -10.0577      1.00000
     56     -10.0415      1.00000
     57      -9.7851      1.00000
     58      -9.6828      1.00000
     59      -9.6700      1.00000
     60      -9.6332      1.00000
     61      -9.6234      1.00000
     62      -9.5854      1.00000
     63      -9.2923      1.00000
     64      -9.2794      1.00000
     65      -9.2627      1.00000
     66      -9.0680      1.00000
     67      -8.8910      1.00000
     68      -8.8799      1.00000
     69      -8.7182      1.00000
     70      -8.5836      1.00000
     71      -8.5352      1.00000
     72      -8.3501      1.00000
     73      -8.3051      1.00000
     74      -8.2433      1.00000
     75      -8.2349      1.00000
     76      -8.1973      1.00000
     77      -8.1838      1.00000
     78      -8.1743      1.00000
     79      -8.1117      1.00000
     80      -7.6887      1.00000
     81      -7.4146      1.00000
     82      -7.3400      1.00000
     83      -7.2533      1.00000
     84      -7.1616      1.00000
     85      -7.1107      1.00000
     86      -7.0038      1.00000
     87      -6.9050      1.00000
     88      -6.8474      1.00000
     89      -6.5497      1.00000
     90      -6.4907      1.00000
     91      -6.2152      1.00000
     92      -6.2093      1.00000
     93      -5.8928      1.00000
     94      -5.6743      1.00000
     95      -5.6081      1.00000
     96      -5.5806      1.00000
     97      -5.2512      1.00000
     98      -5.2300      1.00000
     99      -5.1636      1.00000
    100      -5.1341      1.00000
    101      -4.6007      1.00000
    102      -4.2528      1.00000
    103      -4.0477      1.00000
    104      -3.8863      1.00000
    105      -3.8458      1.00000
    106      -3.8029      1.00000
    107      -1.8064      0.00000
    108      -1.7790      0.00000
    109      -1.2266      0.00000
    110      -1.1721      0.00000
    111      -0.9752      0.00000
    112      -0.7358      0.00000
    113      -0.6497      0.00000
    114      -0.5949      0.00000
    115      -0.5476      0.00000
    116      -0.1499      0.00000
    117       0.1773      0.00000
    118       0.2899      0.00000
    119       0.7053      0.00000
    120       0.9482      0.00000
    121       1.1666      0.00000
    122       1.2768      0.00000
    123       1.3445      0.00000
    124       1.5123      0.00000
    125       1.6059      0.00000
    126       1.6263      0.00000
    127       1.6902      0.00000
    128       1.7770      0.00000
    129       1.8554      0.00000
    130       2.0821      0.00000
    131       2.1709      0.00000
    132       2.3188      0.00000
    133       2.3923      0.00000
    134       2.4258      0.00000
    135       2.5592      0.00000
    136       2.6221      0.00000
    137       2.6856      0.00000
    138       2.7536      0.00000
    139       2.8222      0.00000
    140       2.9126      0.00000
    141       3.0596      0.00000
    142       3.0639      0.00000
    143       3.1809      0.00000
    144       3.2786      0.00000
    145       3.3746      0.00000
    146       3.4122      0.00000
    147       3.4628      0.00000
    148       3.5507      0.00000
    149       3.5697      0.00000
    150       3.6274      0.00000
    151       3.6595      0.00000
    152       3.7005      0.00000
    153       3.7889      0.00000
    154       3.8059      0.00000
    155       3.8229      0.00000
    156       3.8936      0.00000
    157       3.9004      0.00000
    158       3.9782      0.00000
    159       4.1930      0.00000
    160       4.2347      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0400   -7.2579    3.9850   -1.1341   -0.1861   17.3775    0.4866   -0.8143    0.7724   -0.4788
x    -3.1239   -0.0257   -0.0218   -0.0248    0.0900   -3.0536    0.0301   -0.0244    0.0085    0.0018
x    -0.0952   -0.0028    0.0035   -0.0031    0.0021   -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    0.0616    0.0188
y     0.0230   -3.2423   -0.1788    0.1692   -2.4147   -0.6648
z   204.0400    1.7475    0.2953    0.0870    0.0011    0.0710   -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    0.0986    0.0006   -0.0010   -0.0001   -0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0012   -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  -16.5916
z     0.1397    0.2355   -0.0282    0.0577   -0.0956    0.0006
 total charge-density along one line
x   212.0000  -10.0888    5.9318   -1.9431   -0.4218   19.2965   -0.6630    0.2080    0.0675   -0.1084
x    -2.7030   -0.0094    0.0004   -0.0434    0.0954   -2.3440    0.0476   -0.0345    0.0119    0.0025
x    -0.0853   -0.0052    0.0082   -0.0080    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  -10.0888    5.9318   -1.9431   -0.4218   19.2966   -0.6630    0.2080    0.0675   -0.1084
y    -2.7030   -0.0094    0.0004   -0.0434    0.0954   -2.3440    0.0476   -0.0345    0.0119    0.0025
y    -0.0853   -0.0052    0.0082   -0.0080    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 -205.3413  188.9559 -170.2216  154.0226 -140.2178  126.2557 -110.7899   94.5670  -78.9518
z    64.6291  -51.7201   40.4781  -31.3858   24.6180  -19.6805   15.7155  -12.1242    8.8610   -6.1890
z     4.2557   -2.9242    1.9358   -1.1380    0.5319   -0.1477   -0.0648    0.2138   -0.3659    0.4996
z    -0.5562    0.5198   -0.4368    0.3677   -0.3340    0.3151   -0.2837    0.2366   -0.1899    0.1566
z    -0.1346    0.1145   -0.0922    0.0716   -0.0576    0.0499   -0.0441    0.0370   -0.0296    0.0239
z    -0.0207    0.0185   -0.0159    0.0129   -0.0103    0.0084   -0.0068    0.0053   -0.0039    0.0028
z    -0.0020    0.0012   -0.0004   -0.0002    0.0004   -0.0004    0.0004   -0.0006    0.0007   -0.0007
z     0.0004   -0.0002    0.0001    0.0000    0.0000    0.0001   -0.0002    0.0003   -0.0003    0.0003
z    -0.0003    0.0002   -0.0002    0.0001   -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0000   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.941   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.270   0.000  -0.100   0.000   0.000   0.239   0.000
  0.041   0.000 -11.247   0.000  -0.024  -0.006   0.000   0.238
  0.000  -0.100   0.000 -11.154   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.939   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  -0.100   0.000   0.000   0.239   0.000
  0.041   0.000 -11.247   0.000  -0.024  -0.006   0.000   0.238
  0.000  -0.100   0.000 -11.154   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.939   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  -0.026   0.000   0.002   0.021   0.000   0.057   0.000  -0.014  -0.025   0.026   0.000  -0.001   0.000   0.000
  0.000   1.587   0.000  -0.145   0.000   0.000   0.593   0.000   0.258   0.000   0.000   0.000   0.159   0.000   0.106  -0.035
 -0.026   0.000   1.788   0.000   0.018   0.043   0.000   0.357   0.000  -0.026  -0.233  -0.044   0.000   0.095   0.000   0.000
  0.000  -0.145   0.000   1.755   0.000   0.000   0.258   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   0.100   0.000  -0.024   0.190  -0.052   0.000   0.115   0.000   0.000
  0.000   0.593   0.000   0.258   0.000   0.000   0.328   0.000   0.105   0.000   0.000   0.000   0.056   0.000   0.065  -0.011
  0.057   0.000   0.357   0.000  -0.035   0.100   0.000   0.569   0.000  -0.057   0.705  -0.295   0.000   0.088   0.000   0.000
  0.000   0.258   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   0.003  -0.024   0.000  -0.057   0.000   0.036  -0.108   0.030   0.000  -0.068   0.000   0.000
 -0.025   0.000  -0.233   0.000   0.010   0.190   0.000   0.705   0.000  -0.108   1.351  -0.433   0.000   0.264   0.000   0.000
  0.026   0.000  -0.044   0.000  -0.015  -0.052   0.000  -0.295   0.000   0.030  -0.433   0.193   0.000  -0.033   0.000   0.000
  0.000   0.159   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   0.115   0.000   0.088   0.000  -0.068   0.264  -0.033   0.000   0.312   0.000   0.000
  0.000   0.106   0.000   0.038   0.000   0.000   0.065   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  -0.036   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  -0.040   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   2.646
  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   2.646
 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   2.646
 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       44.830  89.433   8.026 142.289
 


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


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


    CHARGE:  VPU time  112.92: CPU time   57.11
    FORLOC:  VPU time    1.25: CPU time    1.25
    FORNL :  VPU time  439.65: CPU time  220.38
    STRESS:  VPU time 1342.76: CPU time  676.51
    FORCOR:  VPU time    8.66: CPU time    8.66
    FORHAR:  VPU time    2.29: CPU time    2.29
    MIXING:  VPU time    0.16: CPU time    0.16
 d Force =-0.9828872E-05[-0.111E-04,-0.856E-05]  d Energy = 0.1324317E-05-0.112E-04
 d Force = 0.7633232E-02[ 0.763E-02, 0.764E-02]  d Ewald  = 0.5081582E-01-0.432E-01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.644555 eV

  energy  without entropy=     -471.644555  energy(sigma->0) =     -471.644555
 

  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    40723.86  40740.73 -47423.27     14.61      0.00      0.00
  Hartree  40191.03  40194.17 -39443.65      2.71      0.00      0.00
  E(xc)     -779.74   -779.54   -807.26      0.18      0.00      0.00
  Local   -83208.30 -83221.99  84184.46    -11.86      0.00      0.00
  n-local   -215.82   -215.57   -203.79     -0.03      0.00      0.00
  augment     22.10     20.54     17.34     -1.35      0.00      0.00
  Kinetic   3169.23   3170.86   3582.04     -7.06      0.00      0.00
  -------------------------------------------------------------------------------------
  Total        0.07     -0.65     -0.20     -0.62      0.00      0.00
  in kB        0.04     -0.39     -0.12     -0.38      0.00      0.00
  external pressure =       -0.16 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.345702773  0.005205078  0.000000000     0.080980151  0.046708469  0.000000000
    -6.168350299 10.694290593  0.000000000    -0.000039414  0.093485105  0.000000000
     0.000000000  0.000000000 19.976139884     0.000000000  0.000000000  0.050059722

  length of vectors
    12.345703870 12.345703572 19.976139884     0.093485111  0.093485113  0.050059722


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.353E-05 -.463E-04 -.961E+03   0.438E-05 -.275E-04 0.969E+03   0.124E-23 0.848E-21 -.782E+01   0.101E-08 -.163E-08 0.333E-02
   -.175E+02 -.303E+02 -.136E+03   0.183E+02 0.318E+02 0.139E+03   -.826E+00 -.143E+01 -.258E+01   -.189E-04 -.337E-04 -.598E-04
   0.175E+02 0.303E+02 -.136E+03   -.183E+02 -.318E+02 0.139E+03   0.826E+00 0.143E+01 -.258E+01   0.189E-04 0.337E-04 -.598E-04
   -.189E+01 0.109E+01 0.178E+02   0.191E+01 -.110E+01 -.178E+02   -.287E-02 0.166E-02 -.362E-02   0.156E-03 -.931E-04 0.229E-03
   0.588E+01 0.684E+01 0.202E+02   -.588E+01 -.687E+01 -.202E+02   0.109E-01 0.300E-01 -.211E-01   0.558E-03 -.493E-03 0.296E-03
   0.113E+02 0.503E+01 0.186E+02   -.113E+02 -.505E+01 -.185E+02   0.293E-01 0.661E-02 -.540E-01   0.716E-03 -.939E-03 0.450E-04
   0.459E+01 -.106E+01 0.163E+02   -.460E+01 0.107E+01 -.163E+02   0.246E-01 -.192E-01 -.127E-02   0.389E-03 -.319E-03 -.178E-03
   -.285E+01 -.245E+01 0.154E+02   0.287E+01 0.246E+01 -.155E+02   -.901E-02 -.175E-01 0.285E-02   0.643E-04 0.260E-03 -.129E-04
   0.699E+00 0.369E+01 0.154E+02   -.696E+00 -.372E+01 -.155E+02   0.107E-01 0.166E-01 0.285E-02   -.198E-03 -.191E-03 -.166E-04
   0.281E+01 0.182E+02 0.249E+02   -.282E+01 -.183E+02 -.249E+02   0.151E-01 0.105E+00 -.698E-02   -.136E-03 -.336E-03 0.239E-03
   0.215E+02 0.226E+02 0.397E+02   -.216E+02 -.228E+02 -.397E+02   0.121E+00 0.227E+00 -.150E-01   0.634E-03 -.821E-03 0.204E-03
   0.266E+02 -.456E+01 0.265E+02   -.268E+02 0.468E+01 -.264E+02   0.243E+00 -.122E+00 -.570E-01   0.467E-03 -.681E-03 -.238E-03
   0.926E+01 -.535E+01 0.155E+02   -.927E+01 0.535E+01 -.155E+02   0.224E-01 -.129E-01 0.596E-02   0.126E-03 -.787E-04 -.258E-03
   0.321E+01 -.345E+01 0.163E+02   -.323E+01 0.345E+01 -.163E+02   0.289E-01 -.118E-01 -.127E-02   0.469E-03 -.182E-03 -.187E-03
   -.599E+01 0.132E+02 0.198E+02   0.600E+01 -.132E+02 -.198E+02   0.122E-02 0.724E-01 -.116E-01   0.118E-03 -.507E-03 -.155E-03
   -.122E+02 0.335E+02 0.454E+02   0.123E+02 -.342E+02 -.458E+02   -.857E-01 0.680E+00 0.350E+00   -.484E-03 -.960E-04 -.790E-04
   0.266E+02 -.154E+02 0.687E+02   -.276E+02 0.159E+02 -.708E+02   0.984E+00 -.568E+00 0.210E+01   0.984E-03 -.571E-03 -.107E-03
   0.173E+02 -.208E+02 0.265E+02   -.175E+02 0.209E+02 -.264E+02   0.227E+00 -.150E+00 -.570E-01   0.822E-03 -.714E-04 -.242E-03
   0.130E+01 -.123E+02 0.186E+02   -.129E+01 0.123E+02 -.185E+02   0.895E-02 -.287E-01 -.540E-01   0.117E-02 -.152E-03 0.395E-04
   -.382E+01 0.151E+01 0.145E+02   0.384E+01 -.152E+01 -.144E+02   -.519E-03 0.477E-03 -.434E-01   0.871E-03 -.444E-03 -.177E-03
   -.181E+02 0.105E+02 0.206E+02   0.182E+02 -.105E+02 -.205E+02   -.594E-01 0.343E-01 -.128E+00   0.549E-03 -.314E-03 -.367E-03
   -.351E+02 -.617E+01 0.454E+02   0.358E+02 0.643E+01 -.458E+02   -.631E+00 -.266E+00 0.350E+00   -.156E-03 0.466E-03 -.758E-04
   -.879E+01 -.299E+02 0.397E+02   0.894E+01 0.301E+02 -.397E+02   -.136E+00 -.218E+00 -.150E-01   0.103E-02 -.143E-03 0.202E-03
   -.298E+01 -.851E+01 0.202E+02   0.301E+01 0.853E+01 -.202E+02   -.205E-01 -.245E-01 -.211E-01   0.707E-03 -.238E-03 0.296E-03
   0.134E+01 -.771E+00 0.155E+02   -.133E+01 0.766E+00 -.155E+02   0.296E-02 -.171E-02 -.261E-01   0.896E-03 -.516E-03 0.673E-04
   -.322E+01 0.256E+01 0.145E+02   0.323E+01 -.257E+01 -.144E+02   -.673E-03 0.211E-03 -.434E-01   0.821E-03 -.528E-03 -.172E-03
   -.144E+02 -.139E+01 0.198E+02   0.145E+02 0.142E+01 -.198E+02   -.621E-01 -.373E-01 -.116E-01   0.500E-03 0.149E-03 -.147E-03
   -.143E+02 -.115E+02 0.249E+02   0.144E+02 0.116E+02 -.249E+02   -.830E-01 -.653E-01 -.698E-02   0.224E-03 0.281E-03 0.242E-03
   0.298E+01 0.851E+01 0.202E+02   -.301E+01 -.853E+01 -.202E+02   0.205E-01 0.245E-01 -.211E-01   -.707E-03 0.238E-03 0.296E-03
   0.143E+02 0.115E+02 0.249E+02   -.144E+02 -.116E+02 -.249E+02   0.830E-01 0.653E-01 -.698E-02   -.224E-03 -.281E-03 0.242E-03
   0.144E+02 0.139E+01 0.198E+02   -.145E+02 -.142E+01 -.198E+02   0.621E-01 0.373E-01 -.116E-01   -.500E-03 -.149E-03 -.147E-03
   0.322E+01 -.256E+01 0.145E+02   -.323E+01 0.257E+01 -.144E+02   0.673E-03 -.211E-03 -.434E-01   -.821E-03 0.528E-03 -.172E-03
   -.134E+01 0.771E+00 0.155E+02   0.133E+01 -.766E+00 -.155E+02   -.296E-02 0.171E-02 -.261E-01   -.896E-03 0.516E-03 0.673E-04
   -.130E+01 0.123E+02 0.186E+02   0.129E+01 -.123E+02 -.185E+02   -.895E-02 0.287E-01 -.540E-01   -.117E-02 0.152E-03 0.395E-04
   0.879E+01 0.299E+02 0.397E+02   -.894E+01 -.301E+02 -.397E+02   0.136E+00 0.218E+00 -.150E-01   -.103E-02 0.142E-03 0.202E-03
   0.351E+02 0.617E+01 0.454E+02   -.358E+02 -.643E+01 -.458E+02   0.631E+00 0.266E+00 0.350E+00   0.156E-03 -.466E-03 -.758E-04
   0.181E+02 -.105E+02 0.206E+02   -.182E+02 0.105E+02 -.205E+02   0.594E-01 -.343E-01 -.128E+00   -.549E-03 0.314E-03 -.367E-03
   0.382E+01 -.151E+01 0.145E+02   -.384E+01 0.152E+01 -.144E+02   0.519E-03 -.477E-03 -.434E-01   -.871E-03 0.444E-03 -.177E-03
   -.321E+01 0.345E+01 0.163E+02   0.323E+01 -.345E+01 -.163E+02   -.289E-01 0.118E-01 -.127E-02   -.469E-03 0.182E-03 -.187E-03
   -.173E+02 0.208E+02 0.265E+02   0.175E+02 -.209E+02 -.264E+02   -.227E+00 0.150E+00 -.570E-01   -.822E-03 0.714E-04 -.242E-03
   -.266E+02 0.154E+02 0.687E+02   0.276E+02 -.159E+02 -.708E+02   -.984E+00 0.568E+00 0.210E+01   -.984E-03 0.571E-03 -.107E-03
   0.122E+02 -.335E+02 0.454E+02   -.123E+02 0.342E+02 -.458E+02   0.857E-01 -.680E+00 0.350E+00   0.484E-03 0.959E-04 -.789E-04
   0.599E+01 -.132E+02 0.198E+02   -.600E+01 0.132E+02 -.198E+02   -.122E-02 -.724E-01 -.116E-01   -.118E-03 0.507E-03 -.155E-03
   -.699E+00 -.369E+01 0.154E+02   0.696E+00 0.372E+01 -.155E+02   -.107E-01 -.166E-01 0.285E-02   0.198E-03 0.191E-03 -.166E-04
   -.926E+01 0.535E+01 0.155E+02   0.927E+01 -.535E+01 -.155E+02   -.224E-01 0.129E-01 0.596E-02   -.126E-03 0.787E-04 -.258E-03
   -.266E+02 0.456E+01 0.265E+02   0.268E+02 -.468E+01 -.264E+02   -.243E+00 0.122E+00 -.570E-01   -.468E-03 0.681E-03 -.238E-03
   -.215E+02 -.226E+02 0.397E+02   0.216E+02 0.228E+02 -.397E+02   -.121E+00 -.227E+00 -.150E-01   -.633E-03 0.821E-03 0.204E-03
   -.281E+01 -.182E+02 0.249E+02   0.282E+01 0.183E+02 -.249E+02   -.151E-01 -.105E+00 -.698E-02   0.137E-03 0.336E-03 0.239E-03
   0.189E+01 -.109E+01 0.178E+02   -.191E+01 0.110E+01 -.178E+02   0.287E-02 -.166E-02 -.362E-02   -.156E-03 0.930E-04 0.229E-03
   0.285E+01 0.245E+01 0.154E+02   -.287E+01 -.246E+01 -.155E+02   0.901E-02 0.175E-01 0.285E-02   -.644E-04 -.260E-03 -.129E-04
   -.459E+01 0.106E+01 0.163E+02   0.460E+01 -.107E+01 -.163E+02   -.246E-01 0.192E-01 -.127E-02   -.389E-03 0.319E-03 -.178E-03
   -.113E+02 -.503E+01 0.186E+02   0.113E+02 0.505E+01 -.185E+02   -.293E-01 -.661E-02 -.540E-01   -.716E-03 0.939E-03 0.450E-04
   -.588E+01 -.684E+01 0.202E+02   0.588E+01 0.687E+01 -.202E+02   -.109E-01 -.300E-01 -.211E-01   -.558E-03 0.493E-03 0.296E-03
 -----------------------------------------------------------------------------------------------
   -.185E-02 0.323E-03 0.851E+01   -.208E-12 0.112E-12 -.533E-12   -.354E-15 -.694E-16 -.851E+01   -.757E-08 0.261E-08 0.211E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85441      6.06235     12.31752         0.000000      0.000000      0.028213
      2.26067      6.76603     13.63871         0.005133      0.008890      0.006283
      1.44814      5.35868     13.63871        -0.005133     -0.008890      0.006283
      0.00032     -0.00018      9.93620         0.015150     -0.008747     -0.002002
     11.11111      2.14304      9.93883         0.012248     -0.007823     -0.004312
      9.87643      4.28258      9.95251         0.013257     -0.008979      0.000386
      8.64381      6.42187      9.95290         0.013801     -0.006703     -0.000334
     -4.93330      8.55559      9.94610         0.014574     -0.006783      0.000971
      2.46969     -0.00024      9.94610         0.013161     -0.009230      0.000971
      1.23496      2.13707      9.95199         0.014015     -0.012696     -0.000514
     -0.00288      4.27572      9.98273         0.012831     -0.004340      0.003807
     -1.23663      6.41680      9.99002         0.015955     -0.006427     -0.000120
     -2.46446      8.55585      9.96097         0.012193     -0.007039      0.000142
      4.93776      0.00280      9.95290         0.012706     -0.008601     -0.000334
      3.70471      2.13805      9.96132         0.016030     -0.008321     -0.001787
      2.47142      4.26448     10.02853         0.013152     -0.004537     -0.001000
      1.22978      6.42298     10.10215         0.013568     -0.007833     -0.011545
      0.00193      8.56205      9.99002         0.013543     -0.010603     -0.000120
      7.40675      0.00497      9.95251         0.014405     -0.006991      0.000386
      6.17294      2.14227      9.95321         0.015292     -0.006718     -0.001966
      4.94072      4.28047      9.98393         0.013011     -0.007512      0.000023
      3.71992      6.42694     10.02853         0.010505     -0.009121     -0.001000
      2.47303      8.56413      9.98273         0.010173     -0.008942      0.003807
      9.87699      0.00548      9.93883         0.012899     -0.006695     -0.004312
      8.64193      2.14358      9.94126         0.012766     -0.007371      0.002729
      7.40856      4.28244      9.95321         0.013464     -0.009884     -0.001966
      6.17811      6.42210      9.96132         0.015221     -0.009722     -0.001787
      4.94408      8.56146      9.95199         0.018003     -0.005790     -0.000514
      0.00018      1.42494      9.93883        -0.012899      0.006695     -0.004312
     -1.23527      3.56325      9.95199        -0.018003      0.005790     -0.000514
     -2.46929      5.70261      9.96132        -0.015221      0.009722     -0.001787
     -3.69975      7.84227      9.95321        -0.013464      0.009884     -0.001966
     -4.93312      9.98113      9.94126        -0.012766      0.007371      0.002729
      2.47041      1.42544      9.95251        -0.014405      0.006991      0.000386
      1.23578      3.56058      9.98273        -0.010173      0.008942      0.003807
     -0.01110      5.69777     10.02853        -0.010505      0.009121     -0.001000
     -1.23191      7.84424      9.98393        -0.013011      0.007512      0.000023
     -2.46413      9.98243      9.95321        -0.015292      0.006718     -0.001966
      4.93940      1.42762      9.95290        -0.012706      0.008601     -0.000334
      3.70689      3.56266      9.99002        -0.013543      0.010603     -0.000120
      2.47903      5.70173     10.10215        -0.013568      0.007833     -0.011545
      1.23739      7.86023     10.02853        -0.013152      0.004537     -0.001000
      0.00410      9.98666      9.96132        -0.016030      0.008321     -0.001787
      7.40747      1.43065      9.94610        -0.013161      0.009230      0.000971
      6.17327      3.56886      9.96097        -0.012193      0.007039      0.000142
      4.94544      5.70791      9.99002        -0.015955      0.006427     -0.000120
      3.71169      7.84899      9.98273        -0.012831      0.004340      0.003807
      2.47385      9.98764      9.95199        -0.014015      0.012696     -0.000514
      9.87684      1.43060      9.93620        -0.015150      0.008747     -0.002002
      8.64211      3.56912      9.94610        -0.014574      0.006783      0.000971
      7.41070      5.70804      9.95290        -0.013801      0.006703     -0.000334
      6.17809      7.84734      9.95251        -0.013257      0.008979      0.000386
      4.94341      9.98687      9.93883        -0.012248      0.007823     -0.004312
 -----------------------------------------------------------------------------------
    total drift:                               -0.001847      0.000323      0.008161


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




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


    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  186.70: CPU time   93.49
     LOOP+:  VPU time 5032.92: CPU time 2589.90


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


    POTLOK:  VPU time    9.20: CPU time    9.13
    SETDIJ:  VPU time    0.35: CPU time    0.34
    EDDAV :  VPU time 1370.72: CPU time  709.65
 BZINTS: Fermi energy: -3.154333;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  112.81: CPU time   57.13
    MIXING:  VPU time    0.14: CPU time    0.14
    ------------------------------------------
      LOOP:  VPU time 1493.30: CPU time  776.42

 eigenvalue-minimisations  :  4064
 total energy-change (2. order) :-0.4716446E+03  (-0.1121047E-05)
 number of electron  212.0000067 magnetization    0.0000000
 augmentation part     7.9599254 magnetization   -0.0000001

 Broyden mixing:
  rms(total) = 0.84374E-04    rms(broyden)= 0.84352E-04
  rms(prec ) = 0.10769E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34041.36395732
  -1/2 Hartree   DENC   =    -40941.49201329
  -V(xc)+E(xc)   XCENC  =       726.60181512
  PAW double counting   =      4092.64705809    -4131.03259942
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.17262748
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64455606 eV

  energy without entropy =     -471.64455606  energy(sigma->0) =     -471.64455606


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




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


    POTLOK:  VPU time    9.04: CPU time    9.04
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1392.39: CPU time  718.97
 BZINTS: Fermi energy: -3.154256;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1401.83: CPU time  728.37

 eigenvalue-minimisations  :  4096
 total energy-change (2. order) :-0.7987419E-06  (-0.1462046E-06)
 number of electron  212.0000067 magnetization    0.0000000
 augmentation part     7.9599254 magnetization   -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34041.36395732
  -1/2 Hartree   DENC   =    -40941.50215877
  -V(xc)+E(xc)   XCENC  =       726.60193195
  PAW double counting   =      4092.64508794    -4131.03061674
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.16261216
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64455686 eV

  energy without entropy =     -471.64455686  energy(sigma->0) =     -471.64455686


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




 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 -58.5442       2 -39.9881       3 -39.9881       4 -58.2439       5 -58.2483
       6 -58.2556       7 -58.2465       8 -58.2448       9 -58.2447      10 -58.2605
      11 -58.3150      12 -58.2922      13 -58.2498      14 -58.2465      15 -58.2574
      16 -58.4378      17 -58.7324      18 -58.2922      19 -58.2556      20 -58.2501
      21 -58.2772      22 -58.4378      23 -58.3150      24 -58.2483      25 -58.2434
      26 -58.2501      27 -58.2574      28 -58.2605      29 -58.2482      30 -58.2604
      31 -58.2573      32 -58.2500      33 -58.2433      34 -58.2555      35 -58.3149
      36 -58.4378      37 -58.2772      38 -58.2500      39 -58.2464      40 -58.2920
      41 -58.7323      42 -58.4378      43 -58.2573      44 -58.2446      45 -58.2497
      46 -58.2921      47 -58.3149      48 -58.2604      49 -58.2438      50 -58.2446
      51 -58.2464      52 -58.2555      53 -58.2482
 
 
 
 E-fermi :  -3.1543     XC(G=0):  -2.3430     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     -22.3554      1.00000
      2     -21.5358      1.00000
      3     -21.4057      1.00000
      4     -21.4056      1.00000
      5     -21.3742      1.00000
      6     -21.3642      1.00000
      7     -21.3569      1.00000
      8     -19.6459      1.00000
      9     -19.5697      1.00000
     10     -19.5657      1.00000
     11     -19.5567      1.00000
     12     -19.5389      1.00000
     13     -19.5373      1.00000
     14     -18.7282      1.00000
     15     -18.6760      1.00000
     16     -18.6726      1.00000
     17     -18.6589      1.00000
     18     -18.6433      1.00000
     19     -18.6386      1.00000
     20     -16.5886      1.00000
     21     -16.5230      1.00000
     22     -16.5222      1.00000
     23     -16.5132      1.00000
     24     -16.4849      1.00000
     25     -16.4837      1.00000
     26     -15.5569      1.00000
     27     -15.5261      1.00000
     28     -15.5251      1.00000
     29     -15.4994      1.00000
     30     -15.4926      1.00000
     31     -15.4885      1.00000
     32     -14.2050      1.00000
     33     -14.1800      1.00000
     34     -14.1691      1.00000
     35     -14.1666      1.00000
     36     -14.1560      1.00000
     37     -14.1465      1.00000
     38     -11.8846      1.00000
     39     -11.8075      1.00000
     40     -11.7931      1.00000
     41     -11.7910      1.00000
     42     -11.7881      1.00000
     43     -11.7823      1.00000
     44     -11.7070      1.00000
     45     -11.6952      1.00000
     46     -11.6684      1.00000
     47     -11.6632      1.00000
     48     -11.6561      1.00000
     49     -11.6462      1.00000
     50     -10.6760      1.00000
     51     -10.3276      1.00000
     52     -10.3212      1.00000
     53     -10.3057      1.00000
     54     -10.3017      1.00000
     55     -10.2911      1.00000
     56     -10.2772      1.00000
     57      -9.9295      1.00000
     58      -9.3722      1.00000
     59      -9.3593      1.00000
     60      -9.2998      1.00000
     61      -9.2906      1.00000
     62      -9.2839      1.00000
     63      -9.0887      1.00000
     64      -9.0636      1.00000
     65      -9.0458      1.00000
     66      -9.0294      1.00000
     67      -9.0027      1.00000
     68      -9.0006      1.00000
     69      -8.9981      1.00000
     70      -8.9953      1.00000
     71      -8.9920      1.00000
     72      -8.9678      1.00000
     73      -8.9674      1.00000
     74      -8.9520      1.00000
     75      -8.5077      1.00000
     76      -7.5151      1.00000
     77      -7.4146      1.00000
     78      -7.4069      1.00000
     79      -7.4005      1.00000
     80      -7.3811      1.00000
     81      -7.3591      1.00000
     82      -7.3402      1.00000
     83      -7.3116      1.00000
     84      -7.2696      1.00000
     85      -7.2046      1.00000
     86      -7.1792      1.00000
     87      -7.1790      1.00000
     88      -7.0720      1.00000
     89      -6.5081      1.00000
     90      -6.4618      1.00000
     91      -6.3558      1.00000
     92      -6.2935      1.00000
     93      -6.2863      1.00000
     94      -6.2849      1.00000
     95      -5.8917      1.00000
     96      -5.8892      1.00000
     97      -5.0529      1.00000
     98      -4.9380      1.00000
     99      -4.5400      1.00000
    100      -4.3415      1.00000
    101      -4.3171      1.00000
    102      -4.3160      1.00000
    103      -4.1164      1.00000
    104      -3.9136      1.00000
    105      -3.9002      1.00000
    106      -3.8380      1.00000
    107      -1.6822      0.00000
    108      -1.6674      0.00000
    109      -1.5367      0.00000
    110      -1.5331      0.00000
    111      -1.5220      0.00000
    112      -1.5091      0.00000
    113      -0.5836      0.00000
    114       0.1369      0.00000
    115       0.2039      0.00000
    116       0.3249      0.00000
    117       0.3291      0.00000
    118       0.3329      0.00000
    119       0.4962      0.00000
    120       0.5949      0.00000
    121       1.2609      0.00000
    122       1.2756      0.00000
    123       1.5250      0.00000
    124       1.7967      0.00000
    125       1.8042      0.00000
    126       1.8066      0.00000
    127       1.8103      0.00000
    128       1.9451      0.00000
    129       1.9764      0.00000
    130       2.0316      0.00000
    131       2.0453      0.00000
    132       2.0511      0.00000
    133       2.0554      0.00000
    134       2.0600      0.00000
    135       2.3072      0.00000
    136       2.3225      0.00000
    137       2.6077      0.00000
    138       2.6211      0.00000
    139       2.6438      0.00000
    140       2.7278      0.00000
    141       2.8548      0.00000
    142       3.0223      0.00000
    143       3.0650      0.00000
    144       3.0737      0.00000
    145       3.1013      0.00000
    146       3.1111      0.00000
    147       3.1124      0.00000
    148       3.2312      0.00000
    149       3.4500      0.00000
    150       3.5482      0.00000
    151       3.7815      0.00000
    152       3.9420      0.00000
    153       3.9446      0.00000
    154       3.9683      0.00000
    155       3.9701      0.00000
    156       3.9993      0.00000
    157       4.1753      0.00000
    158       4.2696      0.00000
    159       4.2857      0.00000
    160       4.2864      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3188      1.00000
      2     -21.7605      1.00000
      3     -21.5692      1.00000
      4     -21.5365      1.00000
      5     -21.2067      1.00000
      6     -21.1617      1.00000
      7     -20.9865      1.00000
      8     -20.1012      1.00000
      9     -20.0568      1.00000
     10     -19.5445      1.00000
     11     -19.5195      1.00000
     12     -19.3493      1.00000
     13     -19.0247      1.00000
     14     -18.9872      1.00000
     15     -18.9809      1.00000
     16     -18.9680      1.00000
     17     -18.2968      1.00000
     18     -18.2756      1.00000
     19     -17.9530      1.00000
     20     -17.0112      1.00000
     21     -16.9601      1.00000
     22     -16.8811      1.00000
     23     -16.8636      1.00000
     24     -16.4037      1.00000
     25     -16.3857      1.00000
     26     -15.5490      1.00000
     27     -15.5345      1.00000
     28     -15.1972      1.00000
     29     -15.1697      1.00000
     30     -15.1158      1.00000
     31     -15.0287      1.00000
     32     -15.0025      1.00000
     33     -14.6343      1.00000
     34     -14.6219      1.00000
     35     -13.6665      1.00000
     36     -13.6495      1.00000
     37     -13.1717      1.00000
     38     -12.5527      1.00000
     39     -12.5171      1.00000
     40     -12.3921      1.00000
     41     -12.3779      1.00000
     42     -12.0578      1.00000
     43     -12.0328      1.00000
     44     -11.6555      1.00000
     45     -11.6127      1.00000
     46     -11.1780      1.00000
     47     -11.1570      1.00000
     48     -10.9663      1.00000
     49     -10.9427      1.00000
     50     -10.8717      1.00000
     51     -10.8345      1.00000
     52     -10.6034      1.00000
     53     -10.0937      1.00000
     54     -10.0910      1.00000
     55     -10.0473      1.00000
     56      -9.9727      1.00000
     57      -9.6527      1.00000
     58      -9.6326      1.00000
     59      -9.5901      1.00000
     60      -9.5310      1.00000
     61      -9.5042      1.00000
     62      -9.4783      1.00000
     63      -9.2661      1.00000
     64      -9.2460      1.00000
     65      -9.2186      1.00000
     66      -9.1608      1.00000
     67      -9.0691      1.00000
     68      -9.0537      1.00000
     69      -9.0356      1.00000
     70      -8.8825      1.00000
     71      -8.8009      1.00000
     72      -8.5779      1.00000
     73      -8.5232      1.00000
     74      -8.4623      1.00000
     75      -8.0386      1.00000
     76      -7.8133      1.00000
     77      -7.8064      1.00000
     78      -7.7886      1.00000
     79      -7.7035      1.00000
     80      -7.6895      1.00000
     81      -7.3620      1.00000
     82      -7.2773      1.00000
     83      -7.2608      1.00000
     84      -7.2151      1.00000
     85      -7.1721      1.00000
     86      -7.0083      1.00000
     87      -6.9427      1.00000
     88      -6.7463      1.00000
     89      -6.6716      1.00000
     90      -6.5932      1.00000
     91      -6.5591      1.00000
     92      -6.0536      1.00000
     93      -6.0462      1.00000
     94      -6.0211      1.00000
     95      -5.9557      1.00000
     96      -5.7370      1.00000
     97      -5.1589      1.00000
     98      -4.9910      1.00000
     99      -4.7199      1.00000
    100      -4.6105      1.00000
    101      -4.4401      1.00000
    102      -4.3746      1.00000
    103      -4.1230      1.00000
    104      -3.8687      1.00000
    105      -3.8374      1.00000
    106      -3.7892      1.00000
    107      -1.7851      0.00000
    108      -1.7385      0.00000
    109      -1.3950      0.00000
    110      -1.3440      0.00000
    111      -1.2639      0.00000
    112      -1.2259      0.00000
    113      -0.7454      0.00000
    114      -0.3795      0.00000
    115      -0.2161      0.00000
    116      -0.0179      0.00000
    117       0.5909      0.00000
    118       0.7375      0.00000
    119       0.7634      0.00000
    120       1.0496      0.00000
    121       1.1413      0.00000
    122       1.2506      0.00000
    123       1.2722      0.00000
    124       1.4152      0.00000
    125       1.4780      0.00000
    126       1.5840      0.00000
    127       1.7591      0.00000
    128       1.8387      0.00000
    129       1.8973      0.00000
    130       1.9588      0.00000
    131       2.1076      0.00000
    132       2.2364      0.00000
    133       2.2479      0.00000
    134       2.2934      0.00000
    135       2.4841      0.00000
    136       2.6139      0.00000
    137       2.6360      0.00000
    138       2.7652      0.00000
    139       2.8025      0.00000
    140       2.8581      0.00000
    141       2.8703      0.00000
    142       2.8930      0.00000
    143       2.9609      0.00000
    144       3.0819      0.00000
    145       3.2832      0.00000
    146       3.3054      0.00000
    147       3.3743      0.00000
    148       3.4118      0.00000
    149       3.4656      0.00000
    150       3.5925      0.00000
    151       3.6391      0.00000
    152       3.6760      0.00000
    153       3.7081      0.00000
    154       3.9045      0.00000
    155       3.9407      0.00000
    156       3.9822      0.00000
    157       4.0838      0.00000
    158       4.2003      0.00000
    159       4.2477      0.00000
    160       4.2969      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2133      1.00000
      2     -22.0069      1.00000
      3     -21.6479      1.00000
      4     -21.6109      1.00000
      5     -20.9121      1.00000
      6     -20.8656      1.00000
      7     -20.5450      1.00000
      8     -20.5061      1.00000
      9     -20.4948      1.00000
     10     -19.9635      1.00000
     11     -19.4409      1.00000
     12     -19.4132      1.00000
     13     -19.2399      1.00000
     14     -19.2250      1.00000
     15     -18.3846      1.00000
     16     -18.3399      1.00000
     17     -17.8603      1.00000
     18     -17.8363      1.00000
     19     -17.6987      1.00000
     20     -17.6556      1.00000
     21     -17.3732      1.00000
     22     -17.3526      1.00000
     23     -17.2760      1.00000
     24     -16.3986      1.00000
     25     -16.3833      1.00000
     26     -15.8969      1.00000
     27     -15.3492      1.00000
     28     -15.3359      1.00000
     29     -15.0316      1.00000
     30     -15.0196      1.00000
     31     -14.8003      1.00000
     32     -14.7757      1.00000
     33     -14.2236      1.00000
     34     -14.1898      1.00000
     35     -13.3731      1.00000
     36     -13.3370      1.00000
     37     -13.1199      1.00000
     38     -13.0999      1.00000
     39     -12.9163      1.00000
     40     -12.9027      1.00000
     41     -12.5572      1.00000
     42     -12.5364      1.00000
     43     -12.1358      1.00000
     44     -11.5189      1.00000
     45     -11.4698      1.00000
     46     -11.2510      1.00000
     47     -11.2159      1.00000
     48     -11.0824      1.00000
     49     -10.6594      1.00000
     50     -10.5886      1.00000
     51     -10.5222      1.00000
     52     -10.2654      1.00000
     53     -10.2451      1.00000
     54     -10.1218      1.00000
     55     -10.0490      1.00000
     56     -10.0368      1.00000
     57      -9.7694      1.00000
     58      -9.7132      1.00000
     59      -9.6754      1.00000
     60      -9.6342      1.00000
     61      -9.6253      1.00000
     62      -9.5867      1.00000
     63      -9.2990      1.00000
     64      -9.2841      1.00000
     65      -9.2481      1.00000
     66      -9.0905      1.00000
     67      -8.9028      1.00000
     68      -8.8804      1.00000
     69      -8.7242      1.00000
     70      -8.5905      1.00000
     71      -8.5091      1.00000
     72      -8.3314      1.00000
     73      -8.3022      1.00000
     74      -8.2644      1.00000
     75      -8.2328      1.00000
     76      -8.1956      1.00000
     77      -8.1828      1.00000
     78      -8.1666      1.00000
     79      -8.1054      1.00000
     80      -7.6890      1.00000
     81      -7.3562      1.00000
     82      -7.3094      1.00000
     83      -7.2653      1.00000
     84      -7.1896      1.00000
     85      -7.1243      1.00000
     86      -7.0760      1.00000
     87      -6.9052      1.00000
     88      -6.8815      1.00000
     89      -6.5451      1.00000
     90      -6.4958      1.00000
     91      -6.2059      1.00000
     92      -6.0703      1.00000
     93      -5.9432      1.00000
     94      -5.7151      1.00000
     95      -5.6335      1.00000
     96      -5.4528      1.00000
     97      -5.3047      1.00000
     98      -5.2353      1.00000
     99      -5.1534      1.00000
    100      -5.1497      1.00000
    101      -4.5247      1.00000
    102      -4.4716      1.00000
    103      -4.1444      1.00000
    104      -3.8405      1.00000
    105      -3.7569      1.00000
    106      -3.6780      1.00000
    107      -1.8715      0.00000
    108      -1.8240      0.00000
    109      -1.2780      0.00000
    110      -1.0331      0.00000
    111      -1.0124      0.00000
    112      -0.7128      0.00000
    113      -0.6371      0.00000
    114      -0.5882      0.00000
    115      -0.5460      0.00000
    116      -0.2002      0.00000
    117       0.2520      0.00000
    118       0.2785      0.00000
    119       0.7601      0.00000
    120       0.9458      0.00000
    121       1.1345      0.00000
    122       1.2246      0.00000
    123       1.3206      0.00000
    124       1.4150      0.00000
    125       1.5997      0.00000
    126       1.6341      0.00000
    127       1.6981      0.00000
    128       1.8273      0.00000
    129       1.9197      0.00000
    130       2.0088      0.00000
    131       2.1059      0.00000
    132       2.3343      0.00000
    133       2.3937      0.00000
    134       2.4322      0.00000
    135       2.5385      0.00000
    136       2.6332      0.00000
    137       2.7607      0.00000
    138       2.8277      0.00000
    139       2.8340      0.00000
    140       2.8881      0.00000
    141       3.0417      0.00000
    142       3.0867      0.00000
    143       3.1865      0.00000
    144       3.2368      0.00000
    145       3.3824      0.00000
    146       3.4210      0.00000
    147       3.4841      0.00000
    148       3.5811      0.00000
    149       3.6038      0.00000
    150       3.6296      0.00000
    151       3.6506      0.00000
    152       3.7427      0.00000
    153       3.7713      0.00000
    154       3.7883      0.00000
    155       3.8104      0.00000
    156       3.8950      0.00000
    157       3.9736      0.00000
    158       4.0072      0.00000
    159       4.1762      0.00000
    160       4.2443      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2471      1.00000
      2     -21.8927      1.00000
      3     -21.8219      1.00000
      4     -21.3101      1.00000
      5     -21.2797      1.00000
      6     -20.7705      1.00000
      7     -20.7043      1.00000
      8     -20.5565      1.00000
      9     -20.0066      1.00000
     10     -19.9989      1.00000
     11     -19.6475      1.00000
     12     -19.6231      1.00000
     13     -18.9281      1.00000
     14     -18.9193      1.00000
     15     -18.5665      1.00000
     16     -18.5531      1.00000
     17     -18.3959      1.00000
     18     -17.6176      1.00000
     19     -17.5603      1.00000
     20     -17.5555      1.00000
     21     -17.5142      1.00000
     22     -17.0534      1.00000
     23     -17.0363      1.00000
     24     -16.8852      1.00000
     25     -15.9244      1.00000
     26     -15.8647      1.00000
     27     -15.5165      1.00000
     28     -15.5158      1.00000
     29     -15.2288      1.00000
     30     -14.7930      1.00000
     31     -14.7659      1.00000
     32     -14.5184      1.00000
     33     -14.4738      1.00000
     34     -14.0966      1.00000
     35     -14.0850      1.00000
     36     -13.0742      1.00000
     37     -13.0359      1.00000
     38     -12.9702      1.00000
     39     -12.9581      1.00000
     40     -12.6482      1.00000
     41     -12.6413      1.00000
     42     -12.2706      1.00000
     43     -12.2389      1.00000
     44     -11.5832      1.00000
     45     -11.5546      1.00000
     46     -11.5033      1.00000
     47     -10.9020      1.00000
     48     -10.8467      1.00000
     49     -10.6241      1.00000
     50     -10.5613      1.00000
     51     -10.4854      1.00000
     52     -10.4284      1.00000
     53     -10.4189      1.00000
     54     -10.3718      1.00000
     55     -10.3016      1.00000
     56     -10.0656      1.00000
     57      -9.8322      1.00000
     58      -9.5569      1.00000
     59      -9.4965      1.00000
     60      -9.4724      1.00000
     61      -9.3408      1.00000
     62      -9.3308      1.00000
     63      -9.3167      1.00000
     64      -9.3099      1.00000
     65      -9.2129      1.00000
     66      -9.1073      1.00000
     67      -9.0743      1.00000
     68      -9.0459      1.00000
     69      -8.8491      1.00000
     70      -8.7868      1.00000
     71      -8.7694      1.00000
     72      -8.5269      1.00000
     73      -8.4769      1.00000
     74      -8.2256      1.00000
     75      -8.1068      1.00000
     76      -8.0948      1.00000
     77      -7.8087      1.00000
     78      -7.7875      1.00000
     79      -7.7872      1.00000
     80      -7.6733      1.00000
     81      -7.6341      1.00000
     82      -7.6316      1.00000
     83      -7.3990      1.00000
     84      -7.3246      1.00000
     85      -7.1959      1.00000
     86      -6.8371      1.00000
     87      -6.8255      1.00000
     88      -6.6625      1.00000
     89      -6.5376      1.00000
     90      -6.3496      1.00000
     91      -6.3068      1.00000
     92      -6.1811      1.00000
     93      -6.1413      1.00000
     94      -5.9782      1.00000
     95      -5.5733      1.00000
     96      -5.4271      1.00000
     97      -5.2599      1.00000
     98      -5.2525      1.00000
     99      -5.1504      1.00000
    100      -4.6940      1.00000
    101      -4.6649      1.00000
    102      -4.3493      1.00000
    103      -4.3172      1.00000
    104      -3.9656      1.00000
    105      -3.8343      1.00000
    106      -3.3867      1.00000
    107      -2.2208      0.00000
    108      -1.3767      0.00000
    109      -1.2850      0.00000
    110      -1.1734      0.00000
    111      -1.0781      0.00000
    112      -0.8948      0.00000
    113      -0.7680      0.00000
    114      -0.7578      0.00000
    115      -0.2154      0.00000
    116       0.1169      0.00000
    117       0.2676      0.00000
    118       0.3461      0.00000
    119       0.7333      0.00000
    120       0.9027      0.00000
    121       0.9708      0.00000
    122       1.0954      0.00000
    123       1.2082      0.00000
    124       1.5292      0.00000
    125       1.5633      0.00000
    126       1.7155      0.00000
    127       1.8371      0.00000
    128       1.8603      0.00000
    129       1.9677      0.00000
    130       1.9998      0.00000
    131       2.1579      0.00000
    132       2.2633      0.00000
    133       2.4534      0.00000
    134       2.4797      0.00000
    135       2.5062      0.00000
    136       2.6687      0.00000
    137       2.6872      0.00000
    138       2.7310      0.00000
    139       2.7459      0.00000
    140       2.8898      0.00000
    141       3.0207      0.00000
    142       3.0800      0.00000
    143       3.2013      0.00000
    144       3.2619      0.00000
    145       3.2622      0.00000
    146       3.2654      0.00000
    147       3.3667      0.00000
    148       3.4788      0.00000
    149       3.5310      0.00000
    150       3.6957      0.00000
    151       3.7586      0.00000
    152       3.7687      0.00000
    153       3.8318      0.00000
    154       3.8785      0.00000
    155       3.9414      0.00000
    156       3.9866      0.00000
    157       4.0223      0.00000
    158       4.0567      0.00000
    159       4.0582      0.00000
    160       4.1253      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1412      1.00000
      2     -22.0457      1.00000
      3     -21.8854      1.00000
      4     -21.3332      1.00000
      5     -20.9810      1.00000
      6     -20.9424      1.00000
      7     -20.4326      1.00000
      8     -20.3897      1.00000
      9     -20.2264      1.00000
     10     -20.2048      1.00000
     11     -19.8875      1.00000
     12     -19.8196      1.00000
     13     -18.8130      1.00000
     14     -18.7414      1.00000
     15     -18.2908      1.00000
     16     -18.2366      1.00000
     17     -18.0860      1.00000
     18     -18.0637      1.00000
     19     -17.7624      1.00000
     20     -17.7188      1.00000
     21     -17.1906      1.00000
     22     -17.1648      1.00000
     23     -17.1015      1.00000
     24     -17.0612      1.00000
     25     -16.0379      1.00000
     26     -15.8203      1.00000
     27     -15.7988      1.00000
     28     -15.7616      1.00000
     29     -15.1748      1.00000
     30     -14.4884      1.00000
     31     -14.4561      1.00000
     32     -14.2186      1.00000
     33     -13.8985      1.00000
     34     -13.8895      1.00000
     35     -13.7577      1.00000
     36     -13.7340      1.00000
     37     -13.5515      1.00000
     38     -13.5015      1.00000
     39     -13.2995      1.00000
     40     -12.5643      1.00000
     41     -12.1245      1.00000
     42     -12.0643      1.00000
     43     -12.0078      1.00000
     44     -11.9488      1.00000
     45     -11.6140      1.00000
     46     -11.5905      1.00000
     47     -11.0830      1.00000
     48     -11.0497      1.00000
     49     -10.7507      1.00000
     50     -10.6591      1.00000
     51     -10.5275      1.00000
     52     -10.1560      1.00000
     53     -10.1348      1.00000
     54     -10.0955      1.00000
     55      -9.9560      1.00000
     56      -9.9475      1.00000
     57      -9.9157      1.00000
     58      -9.7401      1.00000
     59      -9.7329      1.00000
     60      -9.6975      1.00000
     61      -9.6917      1.00000
     62      -9.4291      1.00000
     63      -9.3591      1.00000
     64      -9.0874      1.00000
     65      -9.0125      1.00000
     66      -8.9714      1.00000
     67      -8.8861      1.00000
     68      -8.8106      1.00000
     69      -8.6596      1.00000
     70      -8.6389      1.00000
     71      -8.5795      1.00000
     72      -8.4742      1.00000
     73      -8.4629      1.00000
     74      -8.3999      1.00000
     75      -8.3924      1.00000
     76      -8.1829      1.00000
     77      -8.1156      1.00000
     78      -7.9768      1.00000
     79      -7.9172      1.00000
     80      -7.8480      1.00000
     81      -7.6180      1.00000
     82      -7.5289      1.00000
     83      -7.4663      1.00000
     84      -7.2508      1.00000
     85      -6.9371      1.00000
     86      -6.8605      1.00000
     87      -6.8130      1.00000
     88      -6.5748      1.00000
     89      -6.4645      1.00000
     90      -6.4165      1.00000
     91      -6.3550      1.00000
     92      -6.0530      1.00000
     93      -5.8785      1.00000
     94      -5.7520      1.00000
     95      -5.7224      1.00000
     96      -5.4773      1.00000
     97      -5.3468      1.00000
     98      -5.1805      1.00000
     99      -5.1573      1.00000
    100      -5.1529      1.00000
    101      -4.7071      1.00000
    102      -4.4419      1.00000
    103      -4.2571      1.00000
    104      -3.9973      1.00000
    105      -3.8332      1.00000
    106      -3.1545      1.00000
    107      -2.4633      0.00000
    108      -1.3800      0.00000
    109      -1.2397      0.00000
    110      -1.1466      0.00000
    111      -1.1132      0.00000
    112      -0.5634      0.00000
    113      -0.4342      0.00000
    114      -0.4294      0.00000
    115      -0.3074      0.00000
    116      -0.1897      0.00000
    117       0.0611      0.00000
    118       0.1173      0.00000
    119       0.5419      0.00000
    120       0.6841      0.00000
    121       0.8718      0.00000
    122       0.9675      0.00000
    123       1.1106      0.00000
    124       1.4970      0.00000
    125       1.6639      0.00000
    126       1.7972      0.00000
    127       1.8765      0.00000
    128       2.0905      0.00000
    129       2.1358      0.00000
    130       2.2006      0.00000
    131       2.2173      0.00000
    132       2.3404      0.00000
    133       2.3663      0.00000
    134       2.4878      0.00000
    135       2.5836      0.00000
    136       2.6666      0.00000
    137       2.8767      0.00000
    138       2.9362      0.00000
    139       2.9666      0.00000
    140       2.9890      0.00000
    141       3.0469      0.00000
    142       3.1493      0.00000
    143       3.1870      0.00000
    144       3.2536      0.00000
    145       3.2896      0.00000
    146       3.3306      0.00000
    147       3.3521      0.00000
    148       3.3791      0.00000
    149       3.4035      0.00000
    150       3.4949      0.00000
    151       3.5531      0.00000
    152       3.6335      0.00000
    153       3.6973      0.00000
    154       3.7081      0.00000
    155       3.7265      0.00000
    156       3.9199      0.00000
    157       3.9419      0.00000
    158       4.0583      0.00000
    159       4.0882      0.00000
    160       4.1996      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2468      1.00000
      2     -21.8942      1.00000
      3     -21.8204      1.00000
      4     -21.3156      1.00000
      5     -21.2767      1.00000
      6     -20.7703      1.00000
      7     -20.7009      1.00000
      8     -20.5529      1.00000
      9     -20.0228      1.00000
     10     -19.9900      1.00000
     11     -19.6493      1.00000
     12     -19.6177      1.00000
     13     -18.9433      1.00000
     14     -18.9076      1.00000
     15     -18.5846      1.00000
     16     -18.5469      1.00000
     17     -18.3897      1.00000
     18     -17.6014      1.00000
     19     -17.5665      1.00000
     20     -17.5394      1.00000
     21     -17.5057      1.00000
     22     -17.0753      1.00000
     23     -17.0266      1.00000
     24     -16.9018      1.00000
     25     -15.9471      1.00000
     26     -15.8510      1.00000
     27     -15.5315      1.00000
     28     -15.5054      1.00000
     29     -15.2079      1.00000
     30     -14.8135      1.00000
     31     -14.7607      1.00000
     32     -14.5072      1.00000
     33     -14.4650      1.00000
     34     -14.0990      1.00000
     35     -14.0935      1.00000
     36     -13.1047      1.00000
     37     -13.0274      1.00000
     38     -12.9529      1.00000
     39     -12.9475      1.00000
     40     -12.6538      1.00000
     41     -12.6246      1.00000
     42     -12.2743      1.00000
     43     -12.2481      1.00000
     44     -11.5762      1.00000
     45     -11.5547      1.00000
     46     -11.5005      1.00000
     47     -10.8771      1.00000
     48     -10.8729      1.00000
     49     -10.6843      1.00000
     50     -10.5235      1.00000
     51     -10.5185      1.00000
     52     -10.4382      1.00000
     53     -10.4139      1.00000
     54     -10.3686      1.00000
     55     -10.2829      1.00000
     56     -10.0607      1.00000
     57      -9.8309      1.00000
     58      -9.5557      1.00000
     59      -9.4792      1.00000
     60      -9.4443      1.00000
     61      -9.3644      1.00000
     62      -9.3336      1.00000
     63      -9.3028      1.00000
     64      -9.2992      1.00000
     65      -9.2061      1.00000
     66      -9.1014      1.00000
     67      -9.0703      1.00000
     68      -9.0499      1.00000
     69      -8.8530      1.00000
     70      -8.8053      1.00000
     71      -8.7743      1.00000
     72      -8.5255      1.00000
     73      -8.4979      1.00000
     74      -8.2297      1.00000
     75      -8.1350      1.00000
     76      -8.0903      1.00000
     77      -7.8042      1.00000
     78      -7.7638      1.00000
     79      -7.7377      1.00000
     80      -7.7051      1.00000
     81      -7.6322      1.00000
     82      -7.6240      1.00000
     83      -7.3869      1.00000
     84      -7.3419      1.00000
     85      -7.2162      1.00000
     86      -6.8430      1.00000
     87      -6.8224      1.00000
     88      -6.6399      1.00000
     89      -6.5296      1.00000
     90      -6.3376      1.00000
     91      -6.2740      1.00000
     92      -6.1960      1.00000
     93      -6.1340      1.00000
     94      -6.0207      1.00000
     95      -5.6375      1.00000
     96      -5.5088      1.00000
     97      -5.2960      1.00000
     98      -5.1544      1.00000
     99      -5.0410      1.00000
    100      -4.7264      1.00000
    101      -4.6863      1.00000
    102      -4.3693      1.00000
    103      -4.1864      1.00000
    104      -4.0105      1.00000
    105      -3.8326      1.00000
    106      -3.4846      1.00000
    107      -2.1633      0.00000
    108      -1.3843      0.00000
    109      -1.2351      0.00000
    110      -1.1837      0.00000
    111      -1.0150      0.00000
    112      -0.9528      0.00000
    113      -0.7966      0.00000
    114      -0.7510      0.00000
    115      -0.3639      0.00000
    116       0.2437      0.00000
    117       0.2756      0.00000
    118       0.3650      0.00000
    119       0.7001      0.00000
    120       0.8705      0.00000
    121       0.9656      0.00000
    122       1.1278      0.00000
    123       1.2342      0.00000
    124       1.4575      0.00000
    125       1.5538      0.00000
    126       1.7816      0.00000
    127       1.8528      0.00000
    128       1.8845      0.00000
    129       1.9842      0.00000
    130       2.0304      0.00000
    131       2.1989      0.00000
    132       2.2113      0.00000
    133       2.4029      0.00000
    134       2.4514      0.00000
    135       2.5618      0.00000
    136       2.6569      0.00000
    137       2.6841      0.00000
    138       2.7275      0.00000
    139       2.7684      0.00000
    140       2.8565      0.00000
    141       2.9662      0.00000
    142       3.0815      0.00000
    143       3.1915      0.00000
    144       3.2418      0.00000
    145       3.2573      0.00000
    146       3.2978      0.00000
    147       3.3340      0.00000
    148       3.4830      0.00000
    149       3.5054      0.00000
    150       3.7075      0.00000
    151       3.7218      0.00000
    152       3.7705      0.00000
    153       3.8595      0.00000
    154       3.8753      0.00000
    155       3.8989      0.00000
    156       3.9980      0.00000
    157       4.0025      0.00000
    158       4.0549      0.00000
    159       4.0730      0.00000
    160       4.1252      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3187      1.00000
      2     -21.7603      1.00000
      3     -21.5669      1.00000
      4     -21.5403      1.00000
      5     -21.2041      1.00000
      6     -21.1655      1.00000
      7     -20.9837      1.00000
      8     -20.0970      1.00000
      9     -20.0584      1.00000
     10     -19.5477      1.00000
     11     -19.5272      1.00000
     12     -19.3416      1.00000
     13     -19.0271      1.00000
     14     -18.9883      1.00000
     15     -18.9769      1.00000
     16     -18.9701      1.00000
     17     -18.2964      1.00000
     18     -18.2826      1.00000
     19     -17.9418      1.00000
     20     -16.9971      1.00000
     21     -16.9558      1.00000
     22     -16.8821      1.00000
     23     -16.8695      1.00000
     24     -16.4194      1.00000
     25     -16.3966      1.00000
     26     -15.5425      1.00000
     27     -15.5391      1.00000
     28     -15.1703      1.00000
     29     -15.1691      1.00000
     30     -15.1267      1.00000
     31     -15.0329      1.00000
     32     -14.9978      1.00000
     33     -14.6355      1.00000
     34     -14.6284      1.00000
     35     -13.6642      1.00000
     36     -13.6541      1.00000
     37     -13.1649      1.00000
     38     -12.5710      1.00000
     39     -12.5107      1.00000
     40     -12.3822      1.00000
     41     -12.3819      1.00000
     42     -12.0350      1.00000
     43     -12.0309      1.00000
     44     -11.6612      1.00000
     45     -11.6207      1.00000
     46     -11.2087      1.00000
     47     -11.1587      1.00000
     48     -10.9513      1.00000
     49     -10.9373      1.00000
     50     -10.8635      1.00000
     51     -10.8309      1.00000
     52     -10.6266      1.00000
     53     -10.1457      1.00000
     54     -10.0816      1.00000
     55     -10.0197      1.00000
     56      -9.9436      1.00000
     57      -9.6298      1.00000
     58      -9.6269      1.00000
     59      -9.6014      1.00000
     60      -9.5433      1.00000
     61      -9.5062      1.00000
     62      -9.4794      1.00000
     63      -9.2714      1.00000
     64      -9.2297      1.00000
     65      -9.2036      1.00000
     66      -9.1886      1.00000
     67      -9.0617      1.00000
     68      -9.0420      1.00000
     69      -9.0386      1.00000
     70      -8.8756      1.00000
     71      -8.8177      1.00000
     72      -8.5409      1.00000
     73      -8.5362      1.00000
     74      -8.5068      1.00000
     75      -8.0233      1.00000
     76      -7.8369      1.00000
     77      -7.8012      1.00000
     78      -7.7758      1.00000
     79      -7.6983      1.00000
     80      -7.6797      1.00000
     81      -7.4107      1.00000
     82      -7.2846      1.00000
     83      -7.2471      1.00000
     84      -7.2035      1.00000
     85      -7.0805      1.00000
     86      -7.0734      1.00000
     87      -6.9452      1.00000
     88      -6.7112      1.00000
     89      -6.6749      1.00000
     90      -6.6293      1.00000
     91      -6.5554      1.00000
     92      -6.0681      1.00000
     93      -6.0279      1.00000
     94      -6.0059      1.00000
     95      -5.9400      1.00000
     96      -5.7990      1.00000
     97      -5.1833      1.00000
     98      -4.8959      1.00000
     99      -4.7942      1.00000
    100      -4.6086      1.00000
    101      -4.5126      1.00000
    102      -4.1418      1.00000
    103      -4.0919      1.00000
    104      -3.9322      1.00000
    105      -3.9177      1.00000
    106      -3.8316      1.00000
    107      -1.7511      0.00000
    108      -1.6949      0.00000
    109      -1.4111      0.00000
    110      -1.3705      0.00000
    111      -1.2648      0.00000
    112      -1.2338      0.00000
    113      -0.6229      0.00000
    114      -0.5942      0.00000
    115      -0.1922      0.00000
    116       0.0429      0.00000
    117       0.5831      0.00000
    118       0.7386      0.00000
    119       0.8489      0.00000
    120       0.9298      0.00000
    121       1.1690      0.00000
    122       1.2124      0.00000
    123       1.2495      0.00000
    124       1.4172      0.00000
    125       1.6010      0.00000
    126       1.6376      0.00000
    127       1.7030      0.00000
    128       1.8085      0.00000
    129       1.9230      0.00000
    130       1.9392      0.00000
    131       2.1486      0.00000
    132       2.1710      0.00000
    133       2.2595      0.00000
    134       2.2966      0.00000
    135       2.5455      0.00000
    136       2.5583      0.00000
    137       2.6405      0.00000
    138       2.7590      0.00000
    139       2.8109      0.00000
    140       2.8492      0.00000
    141       2.8940      0.00000
    142       2.9461      0.00000
    143       3.0176      0.00000
    144       3.0238      0.00000
    145       3.0820      0.00000
    146       3.3139      0.00000
    147       3.3746      0.00000
    148       3.4228      0.00000
    149       3.4820      0.00000
    150       3.5978      0.00000
    151       3.6565      0.00000
    152       3.6666      0.00000
    153       3.6818      0.00000
    154       3.9003      0.00000
    155       3.9752      0.00000
    156       4.0245      0.00000
    157       4.0723      0.00000
    158       4.2427      0.00000
    159       4.2558      0.00000
    160       4.2685      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1401      1.00000
      2     -22.0469      1.00000
      3     -21.8853      1.00000
      4     -21.3353      1.00000
      5     -20.9755      1.00000
      6     -20.9459      1.00000
      7     -20.4273      1.00000
      8     -20.3951      1.00000
      9     -20.2137      1.00000
     10     -20.2116      1.00000
     11     -19.8886      1.00000
     12     -19.8245      1.00000
     13     -18.8196      1.00000
     14     -18.7483      1.00000
     15     -18.2624      1.00000
     16     -18.2488      1.00000
     17     -18.0796      1.00000
     18     -18.0728      1.00000
     19     -17.7429      1.00000
     20     -17.7276      1.00000
     21     -17.1965      1.00000
     22     -17.1724      1.00000
     23     -17.0825      1.00000
     24     -17.0711      1.00000
     25     -16.0514      1.00000
     26     -15.8096      1.00000
     27     -15.8001      1.00000
     28     -15.7815      1.00000
     29     -15.1549      1.00000
     30     -14.4888      1.00000
     31     -14.4673      1.00000
     32     -14.2010      1.00000
     33     -13.9127      1.00000
     34     -13.8819      1.00000
     35     -13.7576      1.00000
     36     -13.7369      1.00000
     37     -13.5361      1.00000
     38     -13.5103      1.00000
     39     -13.2995      1.00000
     40     -12.5745      1.00000
     41     -12.1023      1.00000
     42     -12.0784      1.00000
     43     -12.0013      1.00000
     44     -11.9534      1.00000
     45     -11.5995      1.00000
     46     -11.5911      1.00000
     47     -11.0887      1.00000
     48     -11.0647      1.00000
     49     -10.7393      1.00000
     50     -10.6712      1.00000
     51     -10.5624      1.00000
     52     -10.1344      1.00000
     53     -10.1300      1.00000
     54     -10.0995      1.00000
     55      -9.9638      1.00000
     56      -9.9213      1.00000
     57      -9.9195      1.00000
     58      -9.7486      1.00000
     59      -9.7236      1.00000
     60      -9.6959      1.00000
     61      -9.6958      1.00000
     62      -9.4028      1.00000
     63      -9.3984      1.00000
     64      -9.0700      1.00000
     65      -8.9792      1.00000
     66      -8.9775      1.00000
     67      -8.9087      1.00000
     68      -8.8111      1.00000
     69      -8.6463      1.00000
     70      -8.6283      1.00000
     71      -8.5499      1.00000
     72      -8.5096      1.00000
     73      -8.4902      1.00000
     74      -8.3930      1.00000
     75      -8.3812      1.00000
     76      -8.2095      1.00000
     77      -8.1028      1.00000
     78      -8.0053      1.00000
     79      -7.9005      1.00000
     80      -7.8412      1.00000
     81      -7.6222      1.00000
     82      -7.5344      1.00000
     83      -7.4608      1.00000
     84      -7.2484      1.00000
     85      -6.9371      1.00000
     86      -6.8632      1.00000
     87      -6.8038      1.00000
     88      -6.4795      1.00000
     89      -6.4740      1.00000
     90      -6.4144      1.00000
     91      -6.3612      1.00000
     92      -6.1932      1.00000
     93      -5.8568      1.00000
     94      -5.7364      1.00000
     95      -5.7104      1.00000
     96      -5.5235      1.00000
     97      -5.3290      1.00000
     98      -5.1694      1.00000
     99      -5.1665      1.00000
    100      -5.1341      1.00000
    101      -4.6973      1.00000
    102      -4.3497      1.00000
    103      -4.2831      1.00000
    104      -4.0311      1.00000
    105      -3.8342      1.00000
    106      -3.2348      1.00000
    107      -2.4028      0.00000
    108      -1.3465      0.00000
    109      -1.2401      0.00000
    110      -1.1525      0.00000
    111      -1.1092      0.00000
    112      -0.5829      0.00000
    113      -0.5215      0.00000
    114      -0.4331      0.00000
    115      -0.2768      0.00000
    116      -0.0679      0.00000
    117      -0.0095      0.00000
    118       0.0626      0.00000
    119       0.5821      0.00000
    120       0.7100      0.00000
    121       0.8111      0.00000
    122       0.9431      0.00000
    123       1.1818      0.00000
    124       1.5102      0.00000
    125       1.6201      0.00000
    126       1.8524      0.00000
    127       2.0057      0.00000
    128       2.0491      0.00000
    129       2.1134      0.00000
    130       2.1636      0.00000
    131       2.2576      0.00000
    132       2.2850      0.00000
    133       2.3459      0.00000
    134       2.4670      0.00000
    135       2.6110      0.00000
    136       2.7008      0.00000
    137       2.8197      0.00000
    138       2.9191      0.00000
    139       2.9449      0.00000
    140       3.0297      0.00000
    141       3.0455      0.00000
    142       3.1549      0.00000
    143       3.1637      0.00000
    144       3.2209      0.00000
    145       3.2972      0.00000
    146       3.3097      0.00000
    147       3.3522      0.00000
    148       3.3723      0.00000
    149       3.4164      0.00000
    150       3.4503      0.00000
    151       3.5520      0.00000
    152       3.6128      0.00000
    153       3.7041      0.00000
    154       3.7352      0.00000
    155       3.8459      0.00000
    156       3.9012      0.00000
    157       3.9300      0.00000
    158       3.9566      0.00000
    159       4.1425      0.00000
    160       4.1769      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2127      1.00000
      2     -22.0072      1.00000
      3     -21.6458      1.00000
      4     -21.6149      1.00000
      5     -20.9089      1.00000
      6     -20.8685      1.00000
      7     -20.5379      1.00000
      8     -20.5045      1.00000
      9     -20.4989      1.00000
     10     -19.9598      1.00000
     11     -19.4425      1.00000
     12     -19.4201      1.00000
     13     -19.2412      1.00000
     14     -19.2338      1.00000
     15     -18.3733      1.00000
     16     -18.3385      1.00000
     17     -17.8593      1.00000
     18     -17.8429      1.00000
     19     -17.6880      1.00000
     20     -17.6523      1.00000
     21     -17.3725      1.00000
     22     -17.3580      1.00000
     23     -17.2617      1.00000
     24     -16.4175      1.00000
     25     -16.3938      1.00000
     26     -15.9015      1.00000
     27     -15.3460      1.00000
     28     -15.3410      1.00000
     29     -15.0336      1.00000
     30     -15.0237      1.00000
     31     -14.7728      1.00000
     32     -14.7709      1.00000
     33     -14.2343      1.00000
     34     -14.1834      1.00000
     35     -13.3846      1.00000
     36     -13.3299      1.00000
     37     -13.1121      1.00000
     38     -13.1039      1.00000
     39     -12.9157      1.00000
     40     -12.9097      1.00000
     41     -12.5458      1.00000
     42     -12.5380      1.00000
     43     -12.1271      1.00000
     44     -11.5198      1.00000
     45     -11.4751      1.00000
     46     -11.2497      1.00000
     47     -11.2179      1.00000
     48     -11.0801      1.00000
     49     -10.7106      1.00000
     50     -10.5985      1.00000
     51     -10.5108      1.00000
     52     -10.2462      1.00000
     53     -10.2425      1.00000
     54     -10.1213      1.00000
     55     -10.0576      1.00000
     56     -10.0415      1.00000
     57      -9.7851      1.00000
     58      -9.6828      1.00000
     59      -9.6700      1.00000
     60      -9.6331      1.00000
     61      -9.6234      1.00000
     62      -9.5853      1.00000
     63      -9.2923      1.00000
     64      -9.2794      1.00000
     65      -9.2626      1.00000
     66      -9.0679      1.00000
     67      -8.8909      1.00000
     68      -8.8798      1.00000
     69      -8.7181      1.00000
     70      -8.5835      1.00000
     71      -8.5350      1.00000
     72      -8.3500      1.00000
     73      -8.3049      1.00000
     74      -8.2431      1.00000
     75      -8.2347      1.00000
     76      -8.1970      1.00000
     77      -8.1835      1.00000
     78      -8.1741      1.00000
     79      -8.1116      1.00000
     80      -7.6886      1.00000
     81      -7.4146      1.00000
     82      -7.3401      1.00000
     83      -7.2534      1.00000
     84      -7.1617      1.00000
     85      -7.1107      1.00000
     86      -7.0037      1.00000
     87      -6.9050      1.00000
     88      -6.8473      1.00000
     89      -6.5494      1.00000
     90      -6.4909      1.00000
     91      -6.2151      1.00000
     92      -6.2089      1.00000
     93      -5.8926      1.00000
     94      -5.6742      1.00000
     95      -5.6080      1.00000
     96      -5.5806      1.00000
     97      -5.2510      1.00000
     98      -5.2298      1.00000
     99      -5.1635      1.00000
    100      -5.1340      1.00000
    101      -4.6007      1.00000
    102      -4.2527      1.00000
    103      -4.0477      1.00000
    104      -3.8863      1.00000
    105      -3.8459      1.00000
    106      -3.8029      1.00000
    107      -1.8062      0.00000
    108      -1.7787      0.00000
    109      -1.2265      0.00000
    110      -1.1721      0.00000
    111      -0.9751      0.00000
    112      -0.7356      0.00000
    113      -0.6497      0.00000
    114      -0.5948      0.00000
    115      -0.5477      0.00000
    116      -0.1498      0.00000
    117       0.1773      0.00000
    118       0.2899      0.00000
    119       0.7056      0.00000
    120       0.9487      0.00000
    121       1.1668      0.00000
    122       1.2770      0.00000
    123       1.3448      0.00000
    124       1.5123      0.00000
    125       1.6063      0.00000
    126       1.6265      0.00000
    127       1.6905      0.00000
    128       1.7758      0.00000
    129       1.8560      0.00000
    130       2.0815      0.00000
    131       2.1716      0.00000
    132       2.3187      0.00000
    133       2.3926      0.00000
    134       2.4257      0.00000
    135       2.5584      0.00000
    136       2.6224      0.00000
    137       2.6858      0.00000
    138       2.7504      0.00000
    139       2.8206      0.00000
    140       2.9109      0.00000
    141       3.0600      0.00000
    142       3.0610      0.00000
    143       3.1804      0.00000
    144       3.2789      0.00000
    145       3.3746      0.00000
    146       3.4121      0.00000
    147       3.4630      0.00000
    148       3.5468      0.00000
    149       3.5677      0.00000
    150       3.6290      0.00000
    151       3.6600      0.00000
    152       3.7006      0.00000
    153       3.7897      0.00000
    154       3.8042      0.00000
    155       3.8238      0.00000
    156       3.8937      0.00000
    157       3.9020      0.00000
    158       3.9777      0.00000
    159       4.1921      0.00000
    160       4.2347      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3554      1.00000
      2     -21.5358      1.00000
      3     -21.4057      1.00000
      4     -21.4056      1.00000
      5     -21.3742      1.00000
      6     -21.3642      1.00000
      7     -21.3569      1.00000
      8     -19.6459      1.00000
      9     -19.5697      1.00000
     10     -19.5657      1.00000
     11     -19.5567      1.00000
     12     -19.5389      1.00000
     13     -19.5373      1.00000
     14     -18.7282      1.00000
     15     -18.6760      1.00000
     16     -18.6726      1.00000
     17     -18.6589      1.00000
     18     -18.6433      1.00000
     19     -18.6386      1.00000
     20     -16.5886      1.00000
     21     -16.5230      1.00000
     22     -16.5222      1.00000
     23     -16.5132      1.00000
     24     -16.4849      1.00000
     25     -16.4837      1.00000
     26     -15.5569      1.00000
     27     -15.5261      1.00000
     28     -15.5251      1.00000
     29     -15.4994      1.00000
     30     -15.4926      1.00000
     31     -15.4885      1.00000
     32     -14.2050      1.00000
     33     -14.1800      1.00000
     34     -14.1691      1.00000
     35     -14.1666      1.00000
     36     -14.1560      1.00000
     37     -14.1465      1.00000
     38     -11.8846      1.00000
     39     -11.8075      1.00000
     40     -11.7931      1.00000
     41     -11.7910      1.00000
     42     -11.7881      1.00000
     43     -11.7823      1.00000
     44     -11.7070      1.00000
     45     -11.6952      1.00000
     46     -11.6684      1.00000
     47     -11.6632      1.00000
     48     -11.6561      1.00000
     49     -11.6462      1.00000
     50     -10.6760      1.00000
     51     -10.3276      1.00000
     52     -10.3212      1.00000
     53     -10.3057      1.00000
     54     -10.3017      1.00000
     55     -10.2911      1.00000
     56     -10.2772      1.00000
     57      -9.9295      1.00000
     58      -9.3722      1.00000
     59      -9.3593      1.00000
     60      -9.2998      1.00000
     61      -9.2906      1.00000
     62      -9.2839      1.00000
     63      -9.0887      1.00000
     64      -9.0636      1.00000
     65      -9.0458      1.00000
     66      -9.0294      1.00000
     67      -9.0027      1.00000
     68      -9.0006      1.00000
     69      -8.9981      1.00000
     70      -8.9953      1.00000
     71      -8.9920      1.00000
     72      -8.9678      1.00000
     73      -8.9674      1.00000
     74      -8.9520      1.00000
     75      -8.5077      1.00000
     76      -7.5151      1.00000
     77      -7.4146      1.00000
     78      -7.4069      1.00000
     79      -7.4005      1.00000
     80      -7.3811      1.00000
     81      -7.3591      1.00000
     82      -7.3402      1.00000
     83      -7.3116      1.00000
     84      -7.2696      1.00000
     85      -7.2046      1.00000
     86      -7.1792      1.00000
     87      -7.1790      1.00000
     88      -7.0720      1.00000
     89      -6.5081      1.00000
     90      -6.4618      1.00000
     91      -6.3558      1.00000
     92      -6.2935      1.00000
     93      -6.2863      1.00000
     94      -6.2849      1.00000
     95      -5.8917      1.00000
     96      -5.8892      1.00000
     97      -5.0529      1.00000
     98      -4.9380      1.00000
     99      -4.5400      1.00000
    100      -4.3415      1.00000
    101      -4.3171      1.00000
    102      -4.3160      1.00000
    103      -4.1164      1.00000
    104      -3.9136      1.00000
    105      -3.9002      1.00000
    106      -3.8380      1.00000
    107      -1.6822      0.00000
    108      -1.6674      0.00000
    109      -1.5367      0.00000
    110      -1.5331      0.00000
    111      -1.5220      0.00000
    112      -1.5091      0.00000
    113      -0.5836      0.00000
    114       0.1369      0.00000
    115       0.2039      0.00000
    116       0.3249      0.00000
    117       0.3291      0.00000
    118       0.3329      0.00000
    119       0.4962      0.00000
    120       0.5949      0.00000
    121       1.2609      0.00000
    122       1.2756      0.00000
    123       1.5250      0.00000
    124       1.7967      0.00000
    125       1.8042      0.00000
    126       1.8066      0.00000
    127       1.8103      0.00000
    128       1.9451      0.00000
    129       1.9764      0.00000
    130       2.0316      0.00000
    131       2.0453      0.00000
    132       2.0511      0.00000
    133       2.0554      0.00000
    134       2.0600      0.00000
    135       2.3072      0.00000
    136       2.3225      0.00000
    137       2.6077      0.00000
    138       2.6211      0.00000
    139       2.6438      0.00000
    140       2.7278      0.00000
    141       2.8548      0.00000
    142       3.0223      0.00000
    143       3.0650      0.00000
    144       3.0737      0.00000
    145       3.1013      0.00000
    146       3.1111      0.00000
    147       3.1124      0.00000
    148       3.2312      0.00000
    149       3.4500      0.00000
    150       3.5482      0.00000
    151       3.7815      0.00000
    152       3.9420      0.00000
    153       3.9446      0.00000
    154       3.9683      0.00000
    155       3.9701      0.00000
    156       3.9993      0.00000
    157       4.1753      0.00000
    158       4.2696      0.00000
    159       4.2857      0.00000
    160       4.2864      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3188      1.00000
      2     -21.7605      1.00000
      3     -21.5692      1.00000
      4     -21.5365      1.00000
      5     -21.2067      1.00000
      6     -21.1617      1.00000
      7     -20.9865      1.00000
      8     -20.1012      1.00000
      9     -20.0568      1.00000
     10     -19.5445      1.00000
     11     -19.5195      1.00000
     12     -19.3493      1.00000
     13     -19.0247      1.00000
     14     -18.9872      1.00000
     15     -18.9809      1.00000
     16     -18.9680      1.00000
     17     -18.2968      1.00000
     18     -18.2756      1.00000
     19     -17.9530      1.00000
     20     -17.0112      1.00000
     21     -16.9601      1.00000
     22     -16.8811      1.00000
     23     -16.8636      1.00000
     24     -16.4037      1.00000
     25     -16.3857      1.00000
     26     -15.5490      1.00000
     27     -15.5345      1.00000
     28     -15.1972      1.00000
     29     -15.1697      1.00000
     30     -15.1158      1.00000
     31     -15.0287      1.00000
     32     -15.0025      1.00000
     33     -14.6343      1.00000
     34     -14.6219      1.00000
     35     -13.6665      1.00000
     36     -13.6495      1.00000
     37     -13.1717      1.00000
     38     -12.5527      1.00000
     39     -12.5171      1.00000
     40     -12.3921      1.00000
     41     -12.3779      1.00000
     42     -12.0578      1.00000
     43     -12.0328      1.00000
     44     -11.6555      1.00000
     45     -11.6127      1.00000
     46     -11.1780      1.00000
     47     -11.1570      1.00000
     48     -10.9663      1.00000
     49     -10.9427      1.00000
     50     -10.8717      1.00000
     51     -10.8345      1.00000
     52     -10.6034      1.00000
     53     -10.0937      1.00000
     54     -10.0910      1.00000
     55     -10.0473      1.00000
     56      -9.9727      1.00000
     57      -9.6527      1.00000
     58      -9.6326      1.00000
     59      -9.5901      1.00000
     60      -9.5310      1.00000
     61      -9.5042      1.00000
     62      -9.4783      1.00000
     63      -9.2661      1.00000
     64      -9.2460      1.00000
     65      -9.2186      1.00000
     66      -9.1608      1.00000
     67      -9.0691      1.00000
     68      -9.0537      1.00000
     69      -9.0356      1.00000
     70      -8.8825      1.00000
     71      -8.8009      1.00000
     72      -8.5779      1.00000
     73      -8.5232      1.00000
     74      -8.4623      1.00000
     75      -8.0386      1.00000
     76      -7.8133      1.00000
     77      -7.8064      1.00000
     78      -7.7886      1.00000
     79      -7.7035      1.00000
     80      -7.6895      1.00000
     81      -7.3620      1.00000
     82      -7.2773      1.00000
     83      -7.2608      1.00000
     84      -7.2151      1.00000
     85      -7.1721      1.00000
     86      -7.0083      1.00000
     87      -6.9427      1.00000
     88      -6.7463      1.00000
     89      -6.6716      1.00000
     90      -6.5932      1.00000
     91      -6.5591      1.00000
     92      -6.0536      1.00000
     93      -6.0462      1.00000
     94      -6.0211      1.00000
     95      -5.9557      1.00000
     96      -5.7370      1.00000
     97      -5.1589      1.00000
     98      -4.9910      1.00000
     99      -4.7199      1.00000
    100      -4.6105      1.00000
    101      -4.4401      1.00000
    102      -4.3746      1.00000
    103      -4.1230      1.00000
    104      -3.8687      1.00000
    105      -3.8374      1.00000
    106      -3.7892      1.00000
    107      -1.7851      0.00000
    108      -1.7385      0.00000
    109      -1.3950      0.00000
    110      -1.3440      0.00000
    111      -1.2639      0.00000
    112      -1.2259      0.00000
    113      -0.7454      0.00000
    114      -0.3795      0.00000
    115      -0.2161      0.00000
    116      -0.0179      0.00000
    117       0.5909      0.00000
    118       0.7375      0.00000
    119       0.7634      0.00000
    120       1.0496      0.00000
    121       1.1413      0.00000
    122       1.2506      0.00000
    123       1.2722      0.00000
    124       1.4152      0.00000
    125       1.4780      0.00000
    126       1.5840      0.00000
    127       1.7591      0.00000
    128       1.8387      0.00000
    129       1.8973      0.00000
    130       1.9588      0.00000
    131       2.1076      0.00000
    132       2.2364      0.00000
    133       2.2479      0.00000
    134       2.2934      0.00000
    135       2.4841      0.00000
    136       2.6139      0.00000
    137       2.6360      0.00000
    138       2.7652      0.00000
    139       2.8025      0.00000
    140       2.8581      0.00000
    141       2.8703      0.00000
    142       2.8930      0.00000
    143       2.9609      0.00000
    144       3.0819      0.00000
    145       3.2832      0.00000
    146       3.3054      0.00000
    147       3.3743      0.00000
    148       3.4118      0.00000
    149       3.4656      0.00000
    150       3.5925      0.00000
    151       3.6391      0.00000
    152       3.6760      0.00000
    153       3.7081      0.00000
    154       3.9045      0.00000
    155       3.9407      0.00000
    156       3.9822      0.00000
    157       4.0838      0.00000
    158       4.2003      0.00000
    159       4.2477      0.00000
    160       4.2969      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2133      1.00000
      2     -22.0069      1.00000
      3     -21.6479      1.00000
      4     -21.6109      1.00000
      5     -20.9121      1.00000
      6     -20.8656      1.00000
      7     -20.5450      1.00000
      8     -20.5061      1.00000
      9     -20.4948      1.00000
     10     -19.9635      1.00000
     11     -19.4409      1.00000
     12     -19.4132      1.00000
     13     -19.2399      1.00000
     14     -19.2250      1.00000
     15     -18.3846      1.00000
     16     -18.3399      1.00000
     17     -17.8603      1.00000
     18     -17.8363      1.00000
     19     -17.6987      1.00000
     20     -17.6556      1.00000
     21     -17.3732      1.00000
     22     -17.3526      1.00000
     23     -17.2760      1.00000
     24     -16.3986      1.00000
     25     -16.3833      1.00000
     26     -15.8969      1.00000
     27     -15.3492      1.00000
     28     -15.3359      1.00000
     29     -15.0316      1.00000
     30     -15.0196      1.00000
     31     -14.8003      1.00000
     32     -14.7757      1.00000
     33     -14.2236      1.00000
     34     -14.1898      1.00000
     35     -13.3731      1.00000
     36     -13.3370      1.00000
     37     -13.1199      1.00000
     38     -13.0999      1.00000
     39     -12.9163      1.00000
     40     -12.9027      1.00000
     41     -12.5572      1.00000
     42     -12.5364      1.00000
     43     -12.1358      1.00000
     44     -11.5189      1.00000
     45     -11.4698      1.00000
     46     -11.2510      1.00000
     47     -11.2159      1.00000
     48     -11.0824      1.00000
     49     -10.6594      1.00000
     50     -10.5886      1.00000
     51     -10.5222      1.00000
     52     -10.2654      1.00000
     53     -10.2451      1.00000
     54     -10.1218      1.00000
     55     -10.0490      1.00000
     56     -10.0368      1.00000
     57      -9.7694      1.00000
     58      -9.7132      1.00000
     59      -9.6754      1.00000
     60      -9.6342      1.00000
     61      -9.6253      1.00000
     62      -9.5867      1.00000
     63      -9.2990      1.00000
     64      -9.2841      1.00000
     65      -9.2481      1.00000
     66      -9.0905      1.00000
     67      -8.9028      1.00000
     68      -8.8804      1.00000
     69      -8.7242      1.00000
     70      -8.5905      1.00000
     71      -8.5091      1.00000
     72      -8.3314      1.00000
     73      -8.3022      1.00000
     74      -8.2644      1.00000
     75      -8.2328      1.00000
     76      -8.1956      1.00000
     77      -8.1828      1.00000
     78      -8.1666      1.00000
     79      -8.1054      1.00000
     80      -7.6890      1.00000
     81      -7.3562      1.00000
     82      -7.3094      1.00000
     83      -7.2653      1.00000
     84      -7.1896      1.00000
     85      -7.1243      1.00000
     86      -7.0760      1.00000
     87      -6.9052      1.00000
     88      -6.8815      1.00000
     89      -6.5451      1.00000
     90      -6.4958      1.00000
     91      -6.2059      1.00000
     92      -6.0703      1.00000
     93      -5.9432      1.00000
     94      -5.7151      1.00000
     95      -5.6335      1.00000
     96      -5.4528      1.00000
     97      -5.3047      1.00000
     98      -5.2353      1.00000
     99      -5.1534      1.00000
    100      -5.1497      1.00000
    101      -4.5247      1.00000
    102      -4.4716      1.00000
    103      -4.1444      1.00000
    104      -3.8405      1.00000
    105      -3.7569      1.00000
    106      -3.6780      1.00000
    107      -1.8715      0.00000
    108      -1.8240      0.00000
    109      -1.2780      0.00000
    110      -1.0331      0.00000
    111      -1.0124      0.00000
    112      -0.7128      0.00000
    113      -0.6371      0.00000
    114      -0.5882      0.00000
    115      -0.5460      0.00000
    116      -0.2002      0.00000
    117       0.2520      0.00000
    118       0.2785      0.00000
    119       0.7601      0.00000
    120       0.9458      0.00000
    121       1.1345      0.00000
    122       1.2246      0.00000
    123       1.3206      0.00000
    124       1.4150      0.00000
    125       1.5997      0.00000
    126       1.6341      0.00000
    127       1.6981      0.00000
    128       1.8273      0.00000
    129       1.9197      0.00000
    130       2.0088      0.00000
    131       2.1059      0.00000
    132       2.3343      0.00000
    133       2.3937      0.00000
    134       2.4322      0.00000
    135       2.5385      0.00000
    136       2.6332      0.00000
    137       2.7607      0.00000
    138       2.8277      0.00000
    139       2.8340      0.00000
    140       2.8881      0.00000
    141       3.0417      0.00000
    142       3.0867      0.00000
    143       3.1865      0.00000
    144       3.2368      0.00000
    145       3.3824      0.00000
    146       3.4210      0.00000
    147       3.4841      0.00000
    148       3.5811      0.00000
    149       3.6038      0.00000
    150       3.6296      0.00000
    151       3.6506      0.00000
    152       3.7427      0.00000
    153       3.7713      0.00000
    154       3.7883      0.00000
    155       3.8104      0.00000
    156       3.8950      0.00000
    157       3.9736      0.00000
    158       4.0073      0.00000
    159       4.1762      0.00000
    160       4.2443      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2471      1.00000
      2     -21.8927      1.00000
      3     -21.8219      1.00000
      4     -21.3101      1.00000
      5     -21.2797      1.00000
      6     -20.7705      1.00000
      7     -20.7043      1.00000
      8     -20.5565      1.00000
      9     -20.0066      1.00000
     10     -19.9989      1.00000
     11     -19.6475      1.00000
     12     -19.6231      1.00000
     13     -18.9281      1.00000
     14     -18.9193      1.00000
     15     -18.5665      1.00000
     16     -18.5531      1.00000
     17     -18.3959      1.00000
     18     -17.6176      1.00000
     19     -17.5603      1.00000
     20     -17.5555      1.00000
     21     -17.5142      1.00000
     22     -17.0534      1.00000
     23     -17.0363      1.00000
     24     -16.8852      1.00000
     25     -15.9244      1.00000
     26     -15.8647      1.00000
     27     -15.5165      1.00000
     28     -15.5158      1.00000
     29     -15.2288      1.00000
     30     -14.7930      1.00000
     31     -14.7659      1.00000
     32     -14.5184      1.00000
     33     -14.4738      1.00000
     34     -14.0966      1.00000
     35     -14.0850      1.00000
     36     -13.0742      1.00000
     37     -13.0359      1.00000
     38     -12.9702      1.00000
     39     -12.9581      1.00000
     40     -12.6482      1.00000
     41     -12.6413      1.00000
     42     -12.2706      1.00000
     43     -12.2389      1.00000
     44     -11.5832      1.00000
     45     -11.5546      1.00000
     46     -11.5033      1.00000
     47     -10.9020      1.00000
     48     -10.8467      1.00000
     49     -10.6241      1.00000
     50     -10.5613      1.00000
     51     -10.4854      1.00000
     52     -10.4284      1.00000
     53     -10.4189      1.00000
     54     -10.3718      1.00000
     55     -10.3016      1.00000
     56     -10.0656      1.00000
     57      -9.8322      1.00000
     58      -9.5569      1.00000
     59      -9.4965      1.00000
     60      -9.4724      1.00000
     61      -9.3408      1.00000
     62      -9.3308      1.00000
     63      -9.3167      1.00000
     64      -9.3099      1.00000
     65      -9.2129      1.00000
     66      -9.1073      1.00000
     67      -9.0743      1.00000
     68      -9.0459      1.00000
     69      -8.8491      1.00000
     70      -8.7868      1.00000
     71      -8.7694      1.00000
     72      -8.5269      1.00000
     73      -8.4769      1.00000
     74      -8.2256      1.00000
     75      -8.1068      1.00000
     76      -8.0948      1.00000
     77      -7.8087      1.00000
     78      -7.7875      1.00000
     79      -7.7872      1.00000
     80      -7.6733      1.00000
     81      -7.6341      1.00000
     82      -7.6316      1.00000
     83      -7.3990      1.00000
     84      -7.3246      1.00000
     85      -7.1959      1.00000
     86      -6.8371      1.00000
     87      -6.8255      1.00000
     88      -6.6625      1.00000
     89      -6.5376      1.00000
     90      -6.3496      1.00000
     91      -6.3068      1.00000
     92      -6.1811      1.00000
     93      -6.1413      1.00000
     94      -5.9782      1.00000
     95      -5.5733      1.00000
     96      -5.4271      1.00000
     97      -5.2599      1.00000
     98      -5.2525      1.00000
     99      -5.1504      1.00000
    100      -4.6940      1.00000
    101      -4.6649      1.00000
    102      -4.3493      1.00000
    103      -4.3172      1.00000
    104      -3.9656      1.00000
    105      -3.8343      1.00000
    106      -3.3867      1.00000
    107      -2.2208      0.00000
    108      -1.3767      0.00000
    109      -1.2850      0.00000
    110      -1.1734      0.00000
    111      -1.0781      0.00000
    112      -0.8948      0.00000
    113      -0.7680      0.00000
    114      -0.7578      0.00000
    115      -0.2154      0.00000
    116       0.1169      0.00000
    117       0.2676      0.00000
    118       0.3461      0.00000
    119       0.7333      0.00000
    120       0.9027      0.00000
    121       0.9708      0.00000
    122       1.0954      0.00000
    123       1.2082      0.00000
    124       1.5292      0.00000
    125       1.5633      0.00000
    126       1.7155      0.00000
    127       1.8371      0.00000
    128       1.8603      0.00000
    129       1.9677      0.00000
    130       1.9998      0.00000
    131       2.1579      0.00000
    132       2.2633      0.00000
    133       2.4534      0.00000
    134       2.4797      0.00000
    135       2.5062      0.00000
    136       2.6687      0.00000
    137       2.6872      0.00000
    138       2.7310      0.00000
    139       2.7459      0.00000
    140       2.8898      0.00000
    141       3.0207      0.00000
    142       3.0800      0.00000
    143       3.2013      0.00000
    144       3.2619      0.00000
    145       3.2622      0.00000
    146       3.2654      0.00000
    147       3.3667      0.00000
    148       3.4788      0.00000
    149       3.5310      0.00000
    150       3.6957      0.00000
    151       3.7586      0.00000
    152       3.7687      0.00000
    153       3.8318      0.00000
    154       3.8785      0.00000
    155       3.9414      0.00000
    156       3.9866      0.00000
    157       4.0223      0.00000
    158       4.0567      0.00000
    159       4.0582      0.00000
    160       4.1253      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1412      1.00000
      2     -22.0457      1.00000
      3     -21.8854      1.00000
      4     -21.3332      1.00000
      5     -20.9810      1.00000
      6     -20.9424      1.00000
      7     -20.4326      1.00000
      8     -20.3897      1.00000
      9     -20.2264      1.00000
     10     -20.2048      1.00000
     11     -19.8875      1.00000
     12     -19.8196      1.00000
     13     -18.8130      1.00000
     14     -18.7414      1.00000
     15     -18.2908      1.00000
     16     -18.2366      1.00000
     17     -18.0860      1.00000
     18     -18.0637      1.00000
     19     -17.7624      1.00000
     20     -17.7188      1.00000
     21     -17.1906      1.00000
     22     -17.1648      1.00000
     23     -17.1015      1.00000
     24     -17.0612      1.00000
     25     -16.0379      1.00000
     26     -15.8203      1.00000
     27     -15.7988      1.00000
     28     -15.7616      1.00000
     29     -15.1748      1.00000
     30     -14.4884      1.00000
     31     -14.4561      1.00000
     32     -14.2186      1.00000
     33     -13.8985      1.00000
     34     -13.8895      1.00000
     35     -13.7577      1.00000
     36     -13.7340      1.00000
     37     -13.5515      1.00000
     38     -13.5015      1.00000
     39     -13.2995      1.00000
     40     -12.5643      1.00000
     41     -12.1245      1.00000
     42     -12.0643      1.00000
     43     -12.0078      1.00000
     44     -11.9488      1.00000
     45     -11.6140      1.00000
     46     -11.5905      1.00000
     47     -11.0830      1.00000
     48     -11.0497      1.00000
     49     -10.7507      1.00000
     50     -10.6591      1.00000
     51     -10.5275      1.00000
     52     -10.1560      1.00000
     53     -10.1348      1.00000
     54     -10.0955      1.00000
     55      -9.9560      1.00000
     56      -9.9475      1.00000
     57      -9.9157      1.00000
     58      -9.7401      1.00000
     59      -9.7329      1.00000
     60      -9.6975      1.00000
     61      -9.6917      1.00000
     62      -9.4291      1.00000
     63      -9.3591      1.00000
     64      -9.0874      1.00000
     65      -9.0125      1.00000
     66      -8.9714      1.00000
     67      -8.8861      1.00000
     68      -8.8106      1.00000
     69      -8.6596      1.00000
     70      -8.6389      1.00000
     71      -8.5795      1.00000
     72      -8.4742      1.00000
     73      -8.4629      1.00000
     74      -8.3999      1.00000
     75      -8.3924      1.00000
     76      -8.1829      1.00000
     77      -8.1156      1.00000
     78      -7.9768      1.00000
     79      -7.9172      1.00000
     80      -7.8480      1.00000
     81      -7.6180      1.00000
     82      -7.5289      1.00000
     83      -7.4663      1.00000
     84      -7.2508      1.00000
     85      -6.9371      1.00000
     86      -6.8605      1.00000
     87      -6.8130      1.00000
     88      -6.5748      1.00000
     89      -6.4645      1.00000
     90      -6.4165      1.00000
     91      -6.3550      1.00000
     92      -6.0530      1.00000
     93      -5.8785      1.00000
     94      -5.7520      1.00000
     95      -5.7224      1.00000
     96      -5.4773      1.00000
     97      -5.3468      1.00000
     98      -5.1805      1.00000
     99      -5.1573      1.00000
    100      -5.1529      1.00000
    101      -4.7071      1.00000
    102      -4.4419      1.00000
    103      -4.2571      1.00000
    104      -3.9973      1.00000
    105      -3.8332      1.00000
    106      -3.1545      1.00000
    107      -2.4633      0.00000
    108      -1.3800      0.00000
    109      -1.2397      0.00000
    110      -1.1466      0.00000
    111      -1.1132      0.00000
    112      -0.5634      0.00000
    113      -0.4342      0.00000
    114      -0.4294      0.00000
    115      -0.3074      0.00000
    116      -0.1897      0.00000
    117       0.0611      0.00000
    118       0.1173      0.00000
    119       0.5419      0.00000
    120       0.6841      0.00000
    121       0.8718      0.00000
    122       0.9675      0.00000
    123       1.1106      0.00000
    124       1.4970      0.00000
    125       1.6639      0.00000
    126       1.7972      0.00000
    127       1.8765      0.00000
    128       2.0905      0.00000
    129       2.1358      0.00000
    130       2.2006      0.00000
    131       2.2173      0.00000
    132       2.3404      0.00000
    133       2.3664      0.00000
    134       2.4878      0.00000
    135       2.5836      0.00000
    136       2.6666      0.00000
    137       2.8767      0.00000
    138       2.9362      0.00000
    139       2.9666      0.00000
    140       2.9890      0.00000
    141       3.0469      0.00000
    142       3.1493      0.00000
    143       3.1870      0.00000
    144       3.2536      0.00000
    145       3.2896      0.00000
    146       3.3306      0.00000
    147       3.3521      0.00000
    148       3.3791      0.00000
    149       3.4035      0.00000
    150       3.4949      0.00000
    151       3.5531      0.00000
    152       3.6335      0.00000
    153       3.6973      0.00000
    154       3.7081      0.00000
    155       3.7265      0.00000
    156       3.9199      0.00000
    157       3.9419      0.00000
    158       4.0583      0.00000
    159       4.0882      0.00000
    160       4.1996      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2468      1.00000
      2     -21.8942      1.00000
      3     -21.8204      1.00000
      4     -21.3156      1.00000
      5     -21.2767      1.00000
      6     -20.7703      1.00000
      7     -20.7009      1.00000
      8     -20.5529      1.00000
      9     -20.0228      1.00000
     10     -19.9900      1.00000
     11     -19.6493      1.00000
     12     -19.6177      1.00000
     13     -18.9433      1.00000
     14     -18.9076      1.00000
     15     -18.5846      1.00000
     16     -18.5469      1.00000
     17     -18.3897      1.00000
     18     -17.6014      1.00000
     19     -17.5665      1.00000
     20     -17.5394      1.00000
     21     -17.5057      1.00000
     22     -17.0753      1.00000
     23     -17.0266      1.00000
     24     -16.9018      1.00000
     25     -15.9471      1.00000
     26     -15.8510      1.00000
     27     -15.5315      1.00000
     28     -15.5054      1.00000
     29     -15.2079      1.00000
     30     -14.8135      1.00000
     31     -14.7607      1.00000
     32     -14.5072      1.00000
     33     -14.4650      1.00000
     34     -14.0990      1.00000
     35     -14.0935      1.00000
     36     -13.1047      1.00000
     37     -13.0274      1.00000
     38     -12.9529      1.00000
     39     -12.9475      1.00000
     40     -12.6538      1.00000
     41     -12.6246      1.00000
     42     -12.2743      1.00000
     43     -12.2481      1.00000
     44     -11.5762      1.00000
     45     -11.5547      1.00000
     46     -11.5005      1.00000
     47     -10.8771      1.00000
     48     -10.8729      1.00000
     49     -10.6843      1.00000
     50     -10.5235      1.00000
     51     -10.5185      1.00000
     52     -10.4382      1.00000
     53     -10.4139      1.00000
     54     -10.3686      1.00000
     55     -10.2829      1.00000
     56     -10.0607      1.00000
     57      -9.8309      1.00000
     58      -9.5557      1.00000
     59      -9.4792      1.00000
     60      -9.4443      1.00000
     61      -9.3644      1.00000
     62      -9.3336      1.00000
     63      -9.3028      1.00000
     64      -9.2992      1.00000
     65      -9.2061      1.00000
     66      -9.1014      1.00000
     67      -9.0703      1.00000
     68      -9.0499      1.00000
     69      -8.8530      1.00000
     70      -8.8053      1.00000
     71      -8.7743      1.00000
     72      -8.5255      1.00000
     73      -8.4979      1.00000
     74      -8.2297      1.00000
     75      -8.1350      1.00000
     76      -8.0903      1.00000
     77      -7.8042      1.00000
     78      -7.7638      1.00000
     79      -7.7377      1.00000
     80      -7.7051      1.00000
     81      -7.6322      1.00000
     82      -7.6240      1.00000
     83      -7.3869      1.00000
     84      -7.3419      1.00000
     85      -7.2162      1.00000
     86      -6.8430      1.00000
     87      -6.8224      1.00000
     88      -6.6399      1.00000
     89      -6.5296      1.00000
     90      -6.3376      1.00000
     91      -6.2740      1.00000
     92      -6.1960      1.00000
     93      -6.1340      1.00000
     94      -6.0207      1.00000
     95      -5.6375      1.00000
     96      -5.5088      1.00000
     97      -5.2960      1.00000
     98      -5.1544      1.00000
     99      -5.0410      1.00000
    100      -4.7264      1.00000
    101      -4.6863      1.00000
    102      -4.3693      1.00000
    103      -4.1864      1.00000
    104      -4.0105      1.00000
    105      -3.8326      1.00000
    106      -3.4846      1.00000
    107      -2.1633      0.00000
    108      -1.3843      0.00000
    109      -1.2351      0.00000
    110      -1.1837      0.00000
    111      -1.0150      0.00000
    112      -0.9528      0.00000
    113      -0.7966      0.00000
    114      -0.7510      0.00000
    115      -0.3639      0.00000
    116       0.2437      0.00000
    117       0.2756      0.00000
    118       0.3650      0.00000
    119       0.7001      0.00000
    120       0.8705      0.00000
    121       0.9656      0.00000
    122       1.1278      0.00000
    123       1.2342      0.00000
    124       1.4575      0.00000
    125       1.5538      0.00000
    126       1.7816      0.00000
    127       1.8528      0.00000
    128       1.8845      0.00000
    129       1.9842      0.00000
    130       2.0304      0.00000
    131       2.1989      0.00000
    132       2.2113      0.00000
    133       2.4029      0.00000
    134       2.4514      0.00000
    135       2.5618      0.00000
    136       2.6569      0.00000
    137       2.6841      0.00000
    138       2.7275      0.00000
    139       2.7684      0.00000
    140       2.8566      0.00000
    141       2.9662      0.00000
    142       3.0815      0.00000
    143       3.1915      0.00000
    144       3.2418      0.00000
    145       3.2573      0.00000
    146       3.2978      0.00000
    147       3.3340      0.00000
    148       3.4830      0.00000
    149       3.5054      0.00000
    150       3.7075      0.00000
    151       3.7218      0.00000
    152       3.7704      0.00000
    153       3.8595      0.00000
    154       3.8753      0.00000
    155       3.8989      0.00000
    156       3.9980      0.00000
    157       4.0025      0.00000
    158       4.0550      0.00000
    159       4.0730      0.00000
    160       4.1253      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3187      1.00000
      2     -21.7603      1.00000
      3     -21.5669      1.00000
      4     -21.5403      1.00000
      5     -21.2041      1.00000
      6     -21.1655      1.00000
      7     -20.9837      1.00000
      8     -20.0970      1.00000
      9     -20.0584      1.00000
     10     -19.5477      1.00000
     11     -19.5272      1.00000
     12     -19.3416      1.00000
     13     -19.0271      1.00000
     14     -18.9883      1.00000
     15     -18.9769      1.00000
     16     -18.9701      1.00000
     17     -18.2964      1.00000
     18     -18.2826      1.00000
     19     -17.9418      1.00000
     20     -16.9971      1.00000
     21     -16.9558      1.00000
     22     -16.8821      1.00000
     23     -16.8695      1.00000
     24     -16.4194      1.00000
     25     -16.3966      1.00000
     26     -15.5425      1.00000
     27     -15.5391      1.00000
     28     -15.1703      1.00000
     29     -15.1691      1.00000
     30     -15.1267      1.00000
     31     -15.0329      1.00000
     32     -14.9978      1.00000
     33     -14.6355      1.00000
     34     -14.6284      1.00000
     35     -13.6642      1.00000
     36     -13.6541      1.00000
     37     -13.1649      1.00000
     38     -12.5710      1.00000
     39     -12.5107      1.00000
     40     -12.3822      1.00000
     41     -12.3819      1.00000
     42     -12.0350      1.00000
     43     -12.0309      1.00000
     44     -11.6612      1.00000
     45     -11.6207      1.00000
     46     -11.2087      1.00000
     47     -11.1587      1.00000
     48     -10.9513      1.00000
     49     -10.9373      1.00000
     50     -10.8635      1.00000
     51     -10.8309      1.00000
     52     -10.6266      1.00000
     53     -10.1457      1.00000
     54     -10.0816      1.00000
     55     -10.0197      1.00000
     56      -9.9436      1.00000
     57      -9.6298      1.00000
     58      -9.6269      1.00000
     59      -9.6014      1.00000
     60      -9.5433      1.00000
     61      -9.5062      1.00000
     62      -9.4794      1.00000
     63      -9.2714      1.00000
     64      -9.2297      1.00000
     65      -9.2036      1.00000
     66      -9.1886      1.00000
     67      -9.0617      1.00000
     68      -9.0420      1.00000
     69      -9.0386      1.00000
     70      -8.8756      1.00000
     71      -8.8177      1.00000
     72      -8.5409      1.00000
     73      -8.5362      1.00000
     74      -8.5068      1.00000
     75      -8.0233      1.00000
     76      -7.8369      1.00000
     77      -7.8012      1.00000
     78      -7.7758      1.00000
     79      -7.6983      1.00000
     80      -7.6797      1.00000
     81      -7.4107      1.00000
     82      -7.2846      1.00000
     83      -7.2471      1.00000
     84      -7.2035      1.00000
     85      -7.0805      1.00000
     86      -7.0734      1.00000
     87      -6.9452      1.00000
     88      -6.7112      1.00000
     89      -6.6749      1.00000
     90      -6.6293      1.00000
     91      -6.5554      1.00000
     92      -6.0681      1.00000
     93      -6.0279      1.00000
     94      -6.0059      1.00000
     95      -5.9400      1.00000
     96      -5.7990      1.00000
     97      -5.1833      1.00000
     98      -4.8959      1.00000
     99      -4.7942      1.00000
    100      -4.6086      1.00000
    101      -4.5126      1.00000
    102      -4.1418      1.00000
    103      -4.0919      1.00000
    104      -3.9322      1.00000
    105      -3.9177      1.00000
    106      -3.8316      1.00000
    107      -1.7511      0.00000
    108      -1.6949      0.00000
    109      -1.4111      0.00000
    110      -1.3705      0.00000
    111      -1.2648      0.00000
    112      -1.2338      0.00000
    113      -0.6229      0.00000
    114      -0.5942      0.00000
    115      -0.1922      0.00000
    116       0.0429      0.00000
    117       0.5831      0.00000
    118       0.7386      0.00000
    119       0.8489      0.00000
    120       0.9298      0.00000
    121       1.1690      0.00000
    122       1.2124      0.00000
    123       1.2495      0.00000
    124       1.4172      0.00000
    125       1.6010      0.00000
    126       1.6376      0.00000
    127       1.7030      0.00000
    128       1.8085      0.00000
    129       1.9230      0.00000
    130       1.9392      0.00000
    131       2.1486      0.00000
    132       2.1710      0.00000
    133       2.2595      0.00000
    134       2.2966      0.00000
    135       2.5455      0.00000
    136       2.5583      0.00000
    137       2.6405      0.00000
    138       2.7590      0.00000
    139       2.8109      0.00000
    140       2.8492      0.00000
    141       2.8940      0.00000
    142       2.9461      0.00000
    143       3.0176      0.00000
    144       3.0238      0.00000
    145       3.0820      0.00000
    146       3.3139      0.00000
    147       3.3746      0.00000
    148       3.4228      0.00000
    149       3.4820      0.00000
    150       3.5978      0.00000
    151       3.6565      0.00000
    152       3.6666      0.00000
    153       3.6818      0.00000
    154       3.9003      0.00000
    155       3.9752      0.00000
    156       4.0245      0.00000
    157       4.0723      0.00000
    158       4.2427      0.00000
    159       4.2558      0.00000
    160       4.2685      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1401      1.00000
      2     -22.0469      1.00000
      3     -21.8853      1.00000
      4     -21.3353      1.00000
      5     -20.9755      1.00000
      6     -20.9459      1.00000
      7     -20.4273      1.00000
      8     -20.3951      1.00000
      9     -20.2137      1.00000
     10     -20.2116      1.00000
     11     -19.8886      1.00000
     12     -19.8245      1.00000
     13     -18.8196      1.00000
     14     -18.7483      1.00000
     15     -18.2624      1.00000
     16     -18.2488      1.00000
     17     -18.0796      1.00000
     18     -18.0728      1.00000
     19     -17.7429      1.00000
     20     -17.7276      1.00000
     21     -17.1965      1.00000
     22     -17.1724      1.00000
     23     -17.0825      1.00000
     24     -17.0711      1.00000
     25     -16.0514      1.00000
     26     -15.8096      1.00000
     27     -15.8001      1.00000
     28     -15.7815      1.00000
     29     -15.1549      1.00000
     30     -14.4888      1.00000
     31     -14.4673      1.00000
     32     -14.2010      1.00000
     33     -13.9127      1.00000
     34     -13.8819      1.00000
     35     -13.7576      1.00000
     36     -13.7369      1.00000
     37     -13.5361      1.00000
     38     -13.5103      1.00000
     39     -13.2995      1.00000
     40     -12.5745      1.00000
     41     -12.1023      1.00000
     42     -12.0784      1.00000
     43     -12.0013      1.00000
     44     -11.9534      1.00000
     45     -11.5995      1.00000
     46     -11.5911      1.00000
     47     -11.0887      1.00000
     48     -11.0647      1.00000
     49     -10.7393      1.00000
     50     -10.6712      1.00000
     51     -10.5624      1.00000
     52     -10.1344      1.00000
     53     -10.1300      1.00000
     54     -10.0995      1.00000
     55      -9.9638      1.00000
     56      -9.9213      1.00000
     57      -9.9195      1.00000
     58      -9.7486      1.00000
     59      -9.7236      1.00000
     60      -9.6959      1.00000
     61      -9.6958      1.00000
     62      -9.4028      1.00000
     63      -9.3984      1.00000
     64      -9.0700      1.00000
     65      -8.9792      1.00000
     66      -8.9775      1.00000
     67      -8.9087      1.00000
     68      -8.8111      1.00000
     69      -8.6463      1.00000
     70      -8.6283      1.00000
     71      -8.5499      1.00000
     72      -8.5096      1.00000
     73      -8.4902      1.00000
     74      -8.3930      1.00000
     75      -8.3812      1.00000
     76      -8.2095      1.00000
     77      -8.1028      1.00000
     78      -8.0053      1.00000
     79      -7.9005      1.00000
     80      -7.8412      1.00000
     81      -7.6222      1.00000
     82      -7.5344      1.00000
     83      -7.4608      1.00000
     84      -7.2484      1.00000
     85      -6.9371      1.00000
     86      -6.8632      1.00000
     87      -6.8038      1.00000
     88      -6.4795      1.00000
     89      -6.4740      1.00000
     90      -6.4144      1.00000
     91      -6.3612      1.00000
     92      -6.1932      1.00000
     93      -5.8568      1.00000
     94      -5.7364      1.00000
     95      -5.7104      1.00000
     96      -5.5235      1.00000
     97      -5.3290      1.00000
     98      -5.1694      1.00000
     99      -5.1665      1.00000
    100      -5.1341      1.00000
    101      -4.6973      1.00000
    102      -4.3497      1.00000
    103      -4.2831      1.00000
    104      -4.0311      1.00000
    105      -3.8342      1.00000
    106      -3.2348      1.00000
    107      -2.4028      0.00000
    108      -1.3465      0.00000
    109      -1.2401      0.00000
    110      -1.1525      0.00000
    111      -1.1092      0.00000
    112      -0.5829      0.00000
    113      -0.5215      0.00000
    114      -0.4331      0.00000
    115      -0.2768      0.00000
    116      -0.0679      0.00000
    117      -0.0095      0.00000
    118       0.0626      0.00000
    119       0.5821      0.00000
    120       0.7100      0.00000
    121       0.8111      0.00000
    122       0.9431      0.00000
    123       1.1818      0.00000
    124       1.5102      0.00000
    125       1.6201      0.00000
    126       1.8524      0.00000
    127       2.0057      0.00000
    128       2.0491      0.00000
    129       2.1134      0.00000
    130       2.1636      0.00000
    131       2.2576      0.00000
    132       2.2850      0.00000
    133       2.3459      0.00000
    134       2.4670      0.00000
    135       2.6110      0.00000
    136       2.7008      0.00000
    137       2.8197      0.00000
    138       2.9191      0.00000
    139       2.9449      0.00000
    140       3.0297      0.00000
    141       3.0455      0.00000
    142       3.1549      0.00000
    143       3.1637      0.00000
    144       3.2209      0.00000
    145       3.2972      0.00000
    146       3.3097      0.00000
    147       3.3522      0.00000
    148       3.3723      0.00000
    149       3.4164      0.00000
    150       3.4503      0.00000
    151       3.5520      0.00000
    152       3.6128      0.00000
    153       3.7041      0.00000
    154       3.7352      0.00000
    155       3.8459      0.00000
    156       3.9012      0.00000
    157       3.9300      0.00000
    158       3.9566      0.00000
    159       4.1425      0.00000
    160       4.1769      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2127      1.00000
      2     -22.0072      1.00000
      3     -21.6458      1.00000
      4     -21.6149      1.00000
      5     -20.9089      1.00000
      6     -20.8685      1.00000
      7     -20.5379      1.00000
      8     -20.5045      1.00000
      9     -20.4989      1.00000
     10     -19.9598      1.00000
     11     -19.4425      1.00000
     12     -19.4201      1.00000
     13     -19.2412      1.00000
     14     -19.2338      1.00000
     15     -18.3733      1.00000
     16     -18.3385      1.00000
     17     -17.8593      1.00000
     18     -17.8429      1.00000
     19     -17.6880      1.00000
     20     -17.6523      1.00000
     21     -17.3725      1.00000
     22     -17.3580      1.00000
     23     -17.2617      1.00000
     24     -16.4175      1.00000
     25     -16.3938      1.00000
     26     -15.9015      1.00000
     27     -15.3460      1.00000
     28     -15.3410      1.00000
     29     -15.0336      1.00000
     30     -15.0237      1.00000
     31     -14.7728      1.00000
     32     -14.7709      1.00000
     33     -14.2343      1.00000
     34     -14.1834      1.00000
     35     -13.3846      1.00000
     36     -13.3299      1.00000
     37     -13.1121      1.00000
     38     -13.1039      1.00000
     39     -12.9157      1.00000
     40     -12.9097      1.00000
     41     -12.5458      1.00000
     42     -12.5380      1.00000
     43     -12.1271      1.00000
     44     -11.5198      1.00000
     45     -11.4751      1.00000
     46     -11.2497      1.00000
     47     -11.2179      1.00000
     48     -11.0801      1.00000
     49     -10.7106      1.00000
     50     -10.5985      1.00000
     51     -10.5108      1.00000
     52     -10.2462      1.00000
     53     -10.2425      1.00000
     54     -10.1213      1.00000
     55     -10.0576      1.00000
     56     -10.0415      1.00000
     57      -9.7851      1.00000
     58      -9.6828      1.00000
     59      -9.6700      1.00000
     60      -9.6331      1.00000
     61      -9.6234      1.00000
     62      -9.5853      1.00000
     63      -9.2923      1.00000
     64      -9.2794      1.00000
     65      -9.2626      1.00000
     66      -9.0679      1.00000
     67      -8.8909      1.00000
     68      -8.8798      1.00000
     69      -8.7181      1.00000
     70      -8.5835      1.00000
     71      -8.5350      1.00000
     72      -8.3500      1.00000
     73      -8.3049      1.00000
     74      -8.2431      1.00000
     75      -8.2347      1.00000
     76      -8.1970      1.00000
     77      -8.1835      1.00000
     78      -8.1741      1.00000
     79      -8.1116      1.00000
     80      -7.6886      1.00000
     81      -7.4146      1.00000
     82      -7.3401      1.00000
     83      -7.2534      1.00000
     84      -7.1617      1.00000
     85      -7.1107      1.00000
     86      -7.0037      1.00000
     87      -6.9050      1.00000
     88      -6.8473      1.00000
     89      -6.5494      1.00000
     90      -6.4909      1.00000
     91      -6.2151      1.00000
     92      -6.2089      1.00000
     93      -5.8926      1.00000
     94      -5.6742      1.00000
     95      -5.6080      1.00000
     96      -5.5806      1.00000
     97      -5.2510      1.00000
     98      -5.2298      1.00000
     99      -5.1635      1.00000
    100      -5.1340      1.00000
    101      -4.6007      1.00000
    102      -4.2527      1.00000
    103      -4.0477      1.00000
    104      -3.8863      1.00000
    105      -3.8459      1.00000
    106      -3.8029      1.00000
    107      -1.8062      0.00000
    108      -1.7787      0.00000
    109      -1.2265      0.00000
    110      -1.1721      0.00000
    111      -0.9751      0.00000
    112      -0.7356      0.00000
    113      -0.6497      0.00000
    114      -0.5948      0.00000
    115      -0.5477      0.00000
    116      -0.1498      0.00000
    117       0.1773      0.00000
    118       0.2899      0.00000
    119       0.7056      0.00000
    120       0.9487      0.00000
    121       1.1668      0.00000
    122       1.2770      0.00000
    123       1.3448      0.00000
    124       1.5123      0.00000
    125       1.6063      0.00000
    126       1.6265      0.00000
    127       1.6905      0.00000
    128       1.7758      0.00000
    129       1.8560      0.00000
    130       2.0815      0.00000
    131       2.1716      0.00000
    132       2.3187      0.00000
    133       2.3926      0.00000
    134       2.4257      0.00000
    135       2.5584      0.00000
    136       2.6224      0.00000
    137       2.6858      0.00000
    138       2.7504      0.00000
    139       2.8206      0.00000
    140       2.9109      0.00000
    141       3.0600      0.00000
    142       3.0611      0.00000
    143       3.1804      0.00000
    144       3.2789      0.00000
    145       3.3746      0.00000
    146       3.4121      0.00000
    147       3.4630      0.00000
    148       3.5468      0.00000
    149       3.5677      0.00000
    150       3.6290      0.00000
    151       3.6600      0.00000
    152       3.7006      0.00000
    153       3.7897      0.00000
    154       3.8042      0.00000
    155       3.8238      0.00000
    156       3.8937      0.00000
    157       3.9020      0.00000
    158       3.9777      0.00000
    159       4.1921      0.00000
    160       4.2347      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0401   -7.2577    3.9850   -1.1341   -0.1861   17.3779    0.4867   -0.8144    0.7724   -0.4788
x    -3.1239   -0.0257   -0.0218   -0.0248    0.0900   -3.0537    0.0301   -0.0244    0.0085    0.0018
x    -0.0952   -0.0028    0.0035   -0.0031    0.0021   -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    0.0616    0.0188
y     0.0230   -3.2423   -0.1788    0.1692   -2.4146   -0.6648
z   204.0401    1.7474    0.2953    0.0870    0.0011    0.0710   -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    0.0986    0.0006   -0.0010   -0.0001   -0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0012   -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  -16.5916
z     0.1396    0.2355   -0.0282    0.0577   -0.0956    0.0006
 total charge-density along one line
x   212.0000  -10.0888    5.9318   -1.9431   -0.4218   19.2967   -0.6630    0.2079    0.0675   -0.1084
x    -2.7031   -0.0094    0.0004   -0.0434    0.0954   -2.3440    0.0476   -0.0345    0.0119    0.0025
x    -0.0853   -0.0052    0.0082   -0.0080    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  -10.0888    5.9318   -1.9431   -0.4218   19.2968   -0.6630    0.2079    0.0675   -0.1084
y    -2.7031   -0.0094    0.0004   -0.0434    0.0954   -2.3440    0.0476   -0.0345    0.0119    0.0025
y    -0.0853   -0.0052    0.0082   -0.0080    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 -205.3413  188.9561 -170.2218  154.0227 -140.2177  126.2555 -110.7897   94.5668  -78.9517
z    64.6289  -51.7200   40.4780  -31.3857   24.6179  -19.6805   15.7154  -12.1242    8.8610   -6.1890
z     4.2557   -2.9242    1.9358   -1.1380    0.5319   -0.1477   -0.0648    0.2138   -0.3659    0.4996
z    -0.5562    0.5198   -0.4368    0.3677   -0.3340    0.3150   -0.2837    0.2366   -0.1899    0.1566
z    -0.1346    0.1145   -0.0922    0.0716   -0.0576    0.0499   -0.0441    0.0370   -0.0296    0.0239
z    -0.0207    0.0185   -0.0159    0.0129   -0.0103    0.0084   -0.0068    0.0053   -0.0039    0.0028
z    -0.0020    0.0012   -0.0004   -0.0002    0.0004   -0.0004    0.0004   -0.0006    0.0007   -0.0007
z     0.0004   -0.0002    0.0001    0.0000    0.0000    0.0001   -0.0002    0.0003   -0.0003    0.0003
z    -0.0003    0.0002   -0.0002    0.0001   -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0000   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.941   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.270   0.000  -0.100   0.000   0.000   0.239   0.000
  0.041   0.000 -11.247   0.000  -0.024  -0.006   0.000   0.238
  0.000  -0.100   0.000 -11.154   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.939   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  -0.100   0.000   0.000   0.239   0.000
  0.041   0.000 -11.247   0.000  -0.024  -0.006   0.000   0.238
  0.000  -0.100   0.000 -11.154   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.939   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  -0.026   0.000   0.002   0.021   0.000   0.057   0.000  -0.014  -0.025   0.026   0.000  -0.001   0.000   0.000
  0.000   1.587   0.000  -0.145   0.000   0.000   0.593   0.000   0.258   0.000   0.000   0.000   0.159   0.000   0.106  -0.035
 -0.026   0.000   1.788   0.000   0.018   0.043   0.000   0.357   0.000  -0.026  -0.233  -0.044   0.000   0.095   0.000   0.000
  0.000  -0.145   0.000   1.755   0.000   0.000   0.258   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   0.100   0.000  -0.024   0.190  -0.052   0.000   0.115   0.000   0.000
  0.000   0.593   0.000   0.258   0.000   0.000   0.328   0.000   0.105   0.000   0.000   0.000   0.056   0.000   0.065  -0.011
  0.057   0.000   0.357   0.000  -0.035   0.100   0.000   0.569   0.000  -0.057   0.705  -0.295   0.000   0.088   0.000   0.000
  0.000   0.258   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   0.003  -0.024   0.000  -0.057   0.000   0.036  -0.108   0.030   0.000  -0.068   0.000   0.000
 -0.025   0.000  -0.233   0.000   0.010   0.190   0.000   0.705   0.000  -0.108   1.351  -0.433   0.000   0.264   0.000   0.000
  0.026   0.000  -0.044   0.000  -0.015  -0.052   0.000  -0.295   0.000   0.030  -0.433   0.193   0.000  -0.033   0.000   0.000
  0.000   0.159   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   0.115   0.000   0.088   0.000  -0.068   0.264  -0.033   0.000   0.312   0.000   0.000
  0.000   0.106   0.000   0.038   0.000   0.000   0.065   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  -0.036   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  -0.040   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   2.646
  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   2.646
 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   2.646
 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       44.830  89.433   8.026 142.289
 


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


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


    CHARGE:  VPU time  112.77: CPU time   57.07
    FORLOC:  VPU time    1.25: CPU time    1.25
    FORNL :  VPU time  438.91: CPU time  220.17
    STRESS:  VPU time 1339.79: CPU time  675.51
    FORCOR:  VPU time    8.64: CPU time    8.65
    FORHAR:  VPU time    2.29: CPU time    2.29
    MIXING:  VPU time    0.17: CPU time    0.16
 d Force = 0.5517099E-05[ 0.518E-05, 0.586E-05]  d Energy = 0.2111850E-05 0.341E-05
 d Force =-0.4027374E-02[-0.403E-02,-0.403E-02]  d Ewald  =-0.2681448E-01 0.228E-01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.644557 eV

  energy  without entropy=     -471.644557  energy(sigma->0) =     -471.644557
 

  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    40723.93  40740.71 -47423.30     14.53      0.00      0.00
  Hartree  40191.06  40194.18 -39443.67      2.70      0.00      0.00
  E(xc)     -779.74   -779.54   -807.26      0.18      0.00      0.00
  Local   -83208.39 -83221.99  84184.50    -11.78      0.00      0.00
  n-local   -215.82   -215.57   -203.79     -0.04      0.00      0.00
  augment     22.10     20.54     17.34     -1.35      0.00      0.00
  Kinetic   3169.23   3170.86   3582.04     -7.05      0.00      0.00
  -------------------------------------------------------------------------------------
  Total        0.08     -0.65     -0.20     -0.63      0.00      0.00
  in kB        0.05     -0.39     -0.12     -0.38      0.00      0.00
  external pressure =       -0.16 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.345679757  0.005242200  0.000000000     0.080980162  0.046708151  0.000000000
    -6.168306644 10.694289221  0.000000000    -0.000039695  0.093484955  0.000000000
     0.000000000  0.000000000 19.976145074     0.000000000  0.000000000  0.050059709

  length of vectors
    12.345680870 12.345680573 19.976145074     0.093484961  0.093484963  0.050059709


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.351E-05 -.463E-04 -.961E+03   0.438E-05 -.275E-04 0.969E+03   -.846E-21 0.123E-23 -.782E+01   0.170E-07 -.104E-07 0.116E-02
   -.175E+02 -.303E+02 -.136E+03   0.183E+02 0.318E+02 0.139E+03   -.826E+00 -.143E+01 -.258E+01   0.230E-04 0.388E-04 -.130E-04
   0.175E+02 0.303E+02 -.136E+03   -.183E+02 -.318E+02 0.139E+03   0.826E+00 0.143E+01 -.258E+01   -.230E-04 -.388E-04 -.130E-04
   -.189E+01 0.109E+01 0.178E+02   0.190E+01 -.110E+01 -.178E+02   -.331E-02 0.191E-02 -.362E-02   -.222E-03 0.126E-03 0.142E-03
   0.588E+01 0.683E+01 0.202E+02   -.588E+01 -.687E+01 -.202E+02   0.105E-01 0.303E-01 -.211E-01   -.656E-04 0.757E-06 0.177E-03
   0.113E+02 0.503E+01 0.186E+02   -.113E+02 -.505E+01 -.185E+02   0.289E-01 0.675E-02 -.540E-01   0.958E-04 -.600E-04 0.153E-04
   0.460E+01 -.106E+01 0.163E+02   -.461E+01 0.107E+01 -.163E+02   0.242E-01 -.189E-01 -.128E-02   -.462E-04 0.165E-04 -.119E-03
   -.285E+01 -.245E+01 0.154E+02   0.287E+01 0.247E+01 -.155E+02   -.948E-02 -.172E-01 0.285E-02   -.256E-03 0.118E-03 -.169E-04
   0.702E+00 0.369E+01 0.154E+02   -.700E+00 -.372E+01 -.155E+02   0.102E-01 0.168E-01 0.285E-02   -.235E-03 0.157E-03 -.206E-04
   0.282E+01 0.182E+02 0.249E+02   -.282E+01 -.183E+02 -.249E+02   0.145E-01 0.105E+00 -.696E-02   -.184E-03 0.258E-04 0.127E-03
   0.215E+02 0.226E+02 0.397E+02   -.216E+02 -.228E+02 -.397E+02   0.120E+00 0.227E+00 -.149E-01   -.565E-04 0.628E-04 0.129E-03
   0.266E+02 -.456E+01 0.265E+02   -.268E+02 0.468E+01 -.264E+02   0.243E+00 -.121E+00 -.570E-01   0.455E-04 -.716E-04 -.151E-03
   0.927E+01 -.535E+01 0.155E+02   -.928E+01 0.536E+01 -.155E+02   0.219E-01 -.126E-01 0.594E-02   -.661E-04 0.322E-04 -.166E-03
   0.322E+01 -.345E+01 0.163E+02   -.323E+01 0.345E+01 -.163E+02   0.285E-01 -.115E-01 -.128E-02   -.395E-04 0.277E-04 -.127E-03
   -.599E+01 0.131E+02 0.198E+02   0.600E+01 -.132E+02 -.198E+02   0.785E-03 0.726E-01 -.116E-01   -.233E-03 0.140E-03 -.980E-04
   -.122E+02 0.335E+02 0.454E+02   0.123E+02 -.342E+02 -.458E+02   -.863E-01 0.680E+00 0.350E+00   -.207E-03 0.352E-04 -.219E-04
   0.266E+02 -.154E+02 0.687E+02   -.276E+02 0.159E+02 -.708E+02   0.984E+00 -.568E+00 0.210E+01   -.821E-05 0.209E-05 0.153E-04
   0.173E+02 -.208E+02 0.265E+02   -.175E+02 0.209E+02 -.264E+02   0.227E+00 -.150E+00 -.570E-01   0.826E-04 -.109E-04 -.156E-03
   0.130E+01 -.123E+02 0.186E+02   -.130E+01 0.123E+02 -.185E+02   0.860E-02 -.284E-01 -.540E-01   0.103E-03 -.542E-04 0.974E-05
   -.382E+01 0.151E+01 0.145E+02   0.384E+01 -.152E+01 -.144E+02   -.891E-03 0.733E-03 -.434E-01   -.584E-04 0.215E-04 -.117E-03
   -.181E+02 0.105E+02 0.206E+02   0.182E+02 -.105E+02 -.205E+02   -.598E-01 0.345E-01 -.128E+00   -.245E-03 0.145E-03 -.210E-03
   -.351E+02 -.618E+01 0.454E+02   0.358E+02 0.643E+01 -.458E+02   -.632E+00 -.265E+00 0.350E+00   -.131E-03 0.161E-03 -.187E-04
   -.879E+01 -.299E+02 0.397E+02   0.893E+01 0.301E+02 -.397E+02   -.136E+00 -.218E+00 -.149E-01   -.797E-04 0.131E-04 0.127E-03
   -.298E+01 -.851E+01 0.202E+02   0.301E+01 0.853E+01 -.202E+02   -.210E-01 -.242E-01 -.211E-01   -.319E-04 0.545E-04 0.176E-03
   0.134E+01 -.773E+00 0.155E+02   -.133E+01 0.768E+00 -.155E+02   0.252E-02 -.145E-02 -.261E-01   0.112E-03 -.626E-04 0.420E-04
   -.322E+01 0.255E+01 0.145E+02   0.323E+01 -.256E+01 -.144E+02   -.108E-02 0.405E-03 -.434E-01   -.463E-04 0.440E-04 -.113E-03
   -.144E+02 -.139E+01 0.198E+02   0.145E+02 0.142E+01 -.198E+02   -.625E-01 -.370E-01 -.116E-01   -.236E-03 0.130E-03 -.902E-04
   -.143E+02 -.115E+02 0.249E+02   0.144E+02 0.116E+02 -.249E+02   -.835E-01 -.649E-01 -.696E-02   -.113E-03 0.141E-03 0.130E-03
   0.298E+01 0.851E+01 0.202E+02   -.301E+01 -.853E+01 -.202E+02   0.210E-01 0.242E-01 -.211E-01   0.319E-04 -.546E-04 0.176E-03
   0.143E+02 0.115E+02 0.249E+02   -.144E+02 -.116E+02 -.249E+02   0.835E-01 0.649E-01 -.696E-02   0.113E-03 -.141E-03 0.130E-03
   0.144E+02 0.139E+01 0.198E+02   -.145E+02 -.142E+01 -.198E+02   0.625E-01 0.370E-01 -.116E-01   0.236E-03 -.130E-03 -.902E-04
   0.322E+01 -.255E+01 0.145E+02   -.323E+01 0.256E+01 -.144E+02   0.108E-02 -.405E-03 -.434E-01   0.462E-04 -.440E-04 -.113E-03
   -.134E+01 0.773E+00 0.155E+02   0.133E+01 -.768E+00 -.155E+02   -.252E-02 0.145E-02 -.261E-01   -.112E-03 0.626E-04 0.420E-04
   -.130E+01 0.123E+02 0.186E+02   0.130E+01 -.123E+02 -.185E+02   -.860E-02 0.284E-01 -.540E-01   -.103E-03 0.542E-04 0.974E-05
   0.879E+01 0.299E+02 0.397E+02   -.893E+01 -.301E+02 -.397E+02   0.136E+00 0.218E+00 -.149E-01   0.798E-04 -.132E-04 0.127E-03
   0.351E+02 0.618E+01 0.454E+02   -.358E+02 -.643E+01 -.458E+02   0.632E+00 0.265E+00 0.350E+00   0.131E-03 -.161E-03 -.187E-04
   0.181E+02 -.105E+02 0.206E+02   -.182E+02 0.105E+02 -.205E+02   0.598E-01 -.345E-01 -.128E+00   0.245E-03 -.145E-03 -.210E-03
   0.382E+01 -.151E+01 0.145E+02   -.384E+01 0.152E+01 -.144E+02   0.891E-03 -.733E-03 -.434E-01   0.583E-04 -.215E-04 -.117E-03
   -.322E+01 0.345E+01 0.163E+02   0.323E+01 -.345E+01 -.163E+02   -.285E-01 0.115E-01 -.128E-02   0.394E-04 -.276E-04 -.127E-03
   -.173E+02 0.208E+02 0.265E+02   0.175E+02 -.209E+02 -.264E+02   -.227E+00 0.150E+00 -.570E-01   -.826E-04 0.109E-04 -.156E-03
   -.266E+02 0.154E+02 0.687E+02   0.276E+02 -.159E+02 -.708E+02   -.984E+00 0.568E+00 0.210E+01   0.832E-05 -.215E-05 0.153E-04
   0.122E+02 -.335E+02 0.454E+02   -.123E+02 0.342E+02 -.458E+02   0.863E-01 -.680E+00 0.350E+00   0.207E-03 -.352E-04 -.219E-04
   0.599E+01 -.131E+02 0.198E+02   -.600E+01 0.132E+02 -.198E+02   -.785E-03 -.726E-01 -.116E-01   0.233E-03 -.140E-03 -.980E-04
   -.702E+00 -.369E+01 0.154E+02   0.700E+00 0.372E+01 -.155E+02   -.102E-01 -.168E-01 0.285E-02   0.235E-03 -.157E-03 -.206E-04
   -.927E+01 0.535E+01 0.155E+02   0.928E+01 -.536E+01 -.155E+02   -.219E-01 0.126E-01 0.594E-02   0.660E-04 -.321E-04 -.166E-03
   -.266E+02 0.456E+01 0.265E+02   0.268E+02 -.468E+01 -.264E+02   -.243E+00 0.121E+00 -.570E-01   -.455E-04 0.716E-04 -.151E-03
   -.215E+02 -.226E+02 0.397E+02   0.216E+02 0.228E+02 -.397E+02   -.120E+00 -.227E+00 -.149E-01   0.565E-04 -.629E-04 0.129E-03
   -.282E+01 -.182E+02 0.249E+02   0.282E+01 0.183E+02 -.249E+02   -.145E-01 -.105E+00 -.696E-02   0.184E-03 -.258E-04 0.127E-03
   0.189E+01 -.109E+01 0.178E+02   -.190E+01 0.110E+01 -.178E+02   0.331E-02 -.191E-02 -.362E-02   0.222E-03 -.126E-03 0.142E-03
   0.285E+01 0.245E+01 0.154E+02   -.287E+01 -.247E+01 -.155E+02   0.948E-02 0.172E-01 0.285E-02   0.256E-03 -.118E-03 -.169E-04
   -.460E+01 0.106E+01 0.163E+02   0.461E+01 -.107E+01 -.163E+02   -.242E-01 0.189E-01 -.128E-02   0.461E-04 -.164E-04 -.119E-03
   -.113E+02 -.503E+01 0.186E+02   0.113E+02 0.505E+01 -.185E+02   -.289E-01 -.675E-02 -.540E-01   -.958E-04 0.600E-04 0.153E-04
   -.588E+01 -.683E+01 0.202E+02   0.588E+01 0.687E+01 -.202E+02   -.105E-01 -.303E-01 -.211E-01   0.657E-04 -.805E-06 0.177E-03
 -----------------------------------------------------------------------------------------------
   -.185E-02 0.323E-03 0.851E+01   -.693E-13 0.139E-12 -.711E-14   -.408E-15 -.971E-16 -.850E+01   0.647E-08 -.256E-08 0.465E-03
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85442      6.06237     12.31751         0.000000      0.000000      0.031237
      2.26069      6.76604     13.63871         0.005119      0.008867      0.006086
      1.44815      5.35869     13.63871        -0.005119     -0.008867      0.006086
      0.00032     -0.00019      9.93621         0.013695     -0.007907     -0.002044
     11.11110      2.14307      9.93884         0.010735     -0.006898     -0.004367
      9.87643      4.28261      9.95251         0.011735     -0.008233      0.000354
      8.64382      6.42190      9.95290         0.012328     -0.005941     -0.000393
     -4.93326      8.55559      9.94610         0.013114     -0.005849      0.000941
      2.46970     -0.00023      9.94610         0.011622     -0.008433      0.000941
      1.23497      2.13707      9.95199         0.012413     -0.011953     -0.000538
     -0.00286      4.27572      9.98274         0.011476     -0.003524      0.003838
     -1.23660      6.41680      9.99002         0.014327     -0.005498     -0.000231
     -2.46442      8.55585      9.96097         0.010569     -0.006102      0.000065
      4.93776      0.00281      9.95290         0.011309     -0.007706     -0.000393
      3.70471      2.13806      9.96132         0.014656     -0.007534     -0.001850
      2.47144      4.26449     10.02853         0.011374     -0.003538     -0.001013
      1.22981      6.42299     10.10216         0.012196     -0.007042     -0.011910
      0.00196      8.56206      9.99002         0.011925     -0.009659     -0.000231
      7.40675      0.00499      9.95251         0.012997     -0.006046      0.000354
      6.17294      2.14229      9.95321         0.013934     -0.005803     -0.002018
      4.94073      4.28049      9.98394         0.011527     -0.006655      0.000005
      3.71993      6.42696     10.02853         0.008751     -0.008081     -0.001013
      2.47306      8.56415      9.98274         0.008790     -0.008177      0.003838
      9.87697      0.00550      9.93884         0.011342     -0.005848     -0.004367
      8.64193      2.14360      9.94127         0.011226     -0.006481      0.002735
      7.40857      4.28246      9.95321         0.011992     -0.009166     -0.002018
      6.17812      6.42213      9.96132         0.013852     -0.008926     -0.001850
      4.94410      8.56148      9.95199         0.016558     -0.004774     -0.000538
      0.00017      1.42495      9.93884        -0.011342      0.005848     -0.004367
     -1.23526      3.56326      9.95199        -0.016558      0.004774     -0.000538
     -2.46928      5.70261      9.96132        -0.013852      0.008926     -0.001850
     -3.69973      7.84227      9.95321        -0.011992      0.009166     -0.002018
     -4.93309      9.98113      9.94127        -0.011226      0.006481      0.002735
      2.47040      1.42546      9.95251        -0.012997      0.006046      0.000354
      1.23578      3.56059      9.98274        -0.008790      0.008177      0.003838
     -0.01109      5.69778     10.02853        -0.008751      0.008081     -0.001013
     -1.23189      7.84425      9.98394        -0.011527      0.006655      0.000005
     -2.46410      9.98245      9.95321        -0.013934      0.005803     -0.002018
      4.93939      1.42764      9.95290        -0.011309      0.007706     -0.000393
      3.70688      3.56268      9.99002        -0.011925      0.009659     -0.000231
      2.47903      5.70175     10.10216        -0.012196      0.007042     -0.011910
      1.23741      7.86025     10.02853        -0.011374      0.003538     -0.001013
      0.00413      9.98668      9.96132        -0.014656      0.007534     -0.001850
      7.40745      1.43068      9.94610        -0.011622      0.008433      0.000941
      6.17326      3.56889      9.96097        -0.010569      0.006102      0.000065
      4.94544      5.70794      9.99002        -0.014327      0.005498     -0.000231
      3.71170      7.84902      9.98274        -0.011476      0.003524      0.003838
      2.47387      9.98767      9.95199        -0.012413      0.011953     -0.000538
      9.87682      1.43064      9.93621        -0.013695      0.007907     -0.002044
      8.64210      3.56915      9.94610        -0.013114      0.005849      0.000941
      7.41070      5.70808      9.95290        -0.012328      0.005941     -0.000393
      6.17809      7.84737      9.95251        -0.011735      0.008233      0.000354
      4.94342      9.98691      9.93884        -0.010735      0.006898     -0.004367
 -----------------------------------------------------------------------------------
    total drift:                               -0.001846      0.000323      0.010127


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




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


    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  189.35: CPU time   94.84
     LOOP+:  VPU time 4992.17: CPU time 2568.50


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


    POTLOK:  VPU time    9.27: CPU time    9.12
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1810.03: CPU time  933.23
 BZINTS: Fermi energy: -3.155706;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  115.14: CPU time   58.05
    MIXING:  VPU time    0.15: CPU time    0.15
    ------------------------------------------
      LOOP:  VPU time 1934.99: CPU time 1000.92

 eigenvalue-minimisations  :  6016
 total energy-change (2. order) :-0.4716449E+03  (-0.4702805E-02)
 number of electron  212.0000066 magnetization    0.0000000
 augmentation part     7.9603141 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.99881E-02    rms(broyden)= 0.99858E-02
  rms(prec ) = 0.10716E-01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34043.10058110
  -1/2 Hartree   DENC   =    -40942.93714650
  -V(xc)+E(xc)   XCENC  =       726.60061475
  PAW double counting   =      4092.64371286    -4131.02924139
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.46331081
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64493640 eV

  energy without entropy =     -471.64493640  energy(sigma->0) =     -471.64493640


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




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


    POTLOK:  VPU time    9.12: CPU time    9.13
    SETDIJ:  VPU time    0.35: CPU time    0.34
    EDDAV :  VPU time 2005.01: CPU time 1034.18
 BZINTS: Fermi energy: -3.080682;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  113.41: CPU time   57.05
    MIXING:  VPU time    0.16: CPU time    0.16
    ------------------------------------------
      LOOP:  VPU time 2128.11: CPU time 1100.90

 eigenvalue-minimisations  :  6848
 total energy-change (2. order) : 0.1619422E-03  (-0.1244499E-03)
 number of electron  212.0000066 magnetization    0.0000000
 augmentation part     7.9602919 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.55609E-02    rms(broyden)= 0.55606E-02
  rms(prec ) = 0.59538E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.9948
  1.9948

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34043.10058110
  -1/2 Hartree   DENC   =    -40943.01136990
  -V(xc)+E(xc)   XCENC  =       726.60458708
  PAW double counting   =      4092.76932335    -4131.15499451
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.39275518
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64477445 eV

  energy without entropy =     -471.64477445  energy(sigma->0) =     -471.64477445


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




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


    POTLOK:  VPU time    9.08: CPU time    9.07
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1564.54: CPU time  807.99
 BZINTS: Fermi energy: -3.156462;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  113.13: CPU time   57.13
    MIXING:  VPU time    0.17: CPU time    0.17
    ------------------------------------------
      LOOP:  VPU time 1687.31: CPU time  874.74

 eigenvalue-minimisations  :  4864
 total energy-change (2. order) : 0.1030536E-03  (-0.2545504E-04)
 number of electron  212.0000066 magnetization    0.0000000
 augmentation part     7.9601380 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.64152E-03    rms(broyden)= 0.64124E-03
  rms(prec ) = 0.69103E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5621
  2.1283  0.9958

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34043.10058110
  -1/2 Hartree   DENC   =    -40943.12665708
  -V(xc)+E(xc)   XCENC  =       726.60895082
  PAW double counting   =      4092.93027236    -4131.31555299
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.28211920
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64467140 eV

  energy without entropy =     -471.64467140  energy(sigma->0) =     -471.64467140


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




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


    POTLOK:  VPU time    9.01: CPU time    9.01
    SETDIJ:  VPU time    0.33: CPU time    0.34
    EDDAV :  VPU time 1426.20: CPU time  738.33
 BZINTS: Fermi energy: -3.156382;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1435.60: CPU time  747.70

 eigenvalue-minimisations  :  4264
 total energy-change (2. order) :-0.4250120E-05  (-0.4574063E-05)
 number of electron  212.0000066 magnetization    0.0000000
 augmentation part     7.9601380 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34043.10058110
  -1/2 Hartree   DENC   =    -40943.14769790
  -V(xc)+E(xc)   XCENC  =       726.60946943
  PAW double counting   =      4092.94871710    -4131.33389711
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.26170187
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64467565 eV

  energy without entropy =     -471.64467565  energy(sigma->0) =     -471.64467565


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




 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 -58.5411       2 -39.9910       3 -39.9910       4 -58.2442       5 -58.2488
       6 -58.2560       7 -58.2469       8 -58.2448       9 -58.2447      10 -58.2610
      11 -58.3159      12 -58.2925      13 -58.2500      14 -58.2469      15 -58.2580
      16 -58.4379      17 -58.7315      18 -58.2925      19 -58.2560      20 -58.2503
      21 -58.2775      22 -58.4379      23 -58.3159      24 -58.2489      25 -58.2434
      26 -58.2503      27 -58.2581      28 -58.2610      29 -58.2487      30 -58.2609
      31 -58.2579      32 -58.2502      33 -58.2433      34 -58.2559      35 -58.3158
      36 -58.4378      37 -58.2774      38 -58.2502      39 -58.2468      40 -58.2924
      41 -58.7314      42 -58.4379      43 -58.2579      44 -58.2446      45 -58.2499
      46 -58.2924      47 -58.3158      48 -58.2609      49 -58.2441      50 -58.2446
      51 -58.2468      52 -58.2559      53 -58.2488
 
 
 
 E-fermi :  -3.1564     XC(G=0):  -2.3464     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     -22.3562      1.00000
      2     -21.5368      1.00000
      3     -21.4071      1.00000
      4     -21.4052      1.00000
      5     -21.3741      1.00000
      6     -21.3657      1.00000
      7     -21.3583      1.00000
      8     -19.6460      1.00000
      9     -19.5731      1.00000
     10     -19.5634      1.00000
     11     -19.5593      1.00000
     12     -19.5401      1.00000
     13     -19.5362      1.00000
     14     -18.7275      1.00000
     15     -18.6818      1.00000
     16     -18.6708      1.00000
     17     -18.6572      1.00000
     18     -18.6426      1.00000
     19     -18.6418      1.00000
     20     -16.5841      1.00000
     21     -16.5299      1.00000
     22     -16.5245      1.00000
     23     -16.5084      1.00000
     24     -16.4880      1.00000
     25     -16.4837      1.00000
     26     -15.5595      1.00000
     27     -15.5253      1.00000
     28     -15.5247      1.00000
     29     -15.4991      1.00000
     30     -15.4956      1.00000
     31     -15.4882      1.00000
     32     -14.2078      1.00000
     33     -14.1808      1.00000
     34     -14.1647      1.00000
     35     -14.1627      1.00000
     36     -14.1615      1.00000
     37     -14.1490      1.00000
     38     -11.8856      1.00000
     39     -11.8081      1.00000
     40     -11.7920      1.00000
     41     -11.7913      1.00000
     42     -11.7886      1.00000
     43     -11.7831      1.00000
     44     -11.7026      1.00000
     45     -11.6999      1.00000
     46     -11.6754      1.00000
     47     -11.6570      1.00000
     48     -11.6533      1.00000
     49     -11.6517      1.00000
     50     -10.6762      1.00000
     51     -10.3298      1.00000
     52     -10.3206      1.00000
     53     -10.3052      1.00000
     54     -10.3046      1.00000
     55     -10.2898      1.00000
     56     -10.2774      1.00000
     57      -9.9303      1.00000
     58      -9.3732      1.00000
     59      -9.3585      1.00000
     60      -9.2995      1.00000
     61      -9.2920      1.00000
     62      -9.2850      1.00000
     63      -9.0959      1.00000
     64      -9.0528      1.00000
     65      -9.0465      1.00000
     66      -9.0237      1.00000
     67      -9.0117      1.00000
     68      -9.0048      1.00000
     69      -9.0042      1.00000
     70      -8.9932      1.00000
     71      -8.9870      1.00000
     72      -8.9740      1.00000
     73      -8.9615      1.00000
     74      -8.9539      1.00000
     75      -8.5093      1.00000
     76      -7.5112      1.00000
     77      -7.4138      1.00000
     78      -7.4080      1.00000
     79      -7.4023      1.00000
     80      -7.3860      1.00000
     81      -7.3677      1.00000
     82      -7.3411      1.00000
     83      -7.3043      1.00000
     84      -7.2695      1.00000
     85      -7.2067      1.00000
     86      -7.1794      1.00000
     87      -7.1792      1.00000
     88      -7.0727      1.00000
     89      -6.5113      1.00000
     90      -6.4602      1.00000
     91      -6.3539      1.00000
     92      -6.2921      1.00000
     93      -6.2894      1.00000
     94      -6.2857      1.00000
     95      -5.9034      1.00000
     96      -5.8782      1.00000
     97      -5.0528      1.00000
     98      -4.9361      1.00000
     99      -4.5394      1.00000
    100      -4.3389      1.00000
    101      -4.3189      1.00000
    102      -4.3161      1.00000
    103      -4.1154      1.00000
    104      -3.9126      1.00000
    105      -3.9032      1.00000
    106      -3.8354      1.00000
    107      -1.6801      0.00000
    108      -1.6690      0.00000
    109      -1.5365      0.00000
    110      -1.5365      0.00000
    111      -1.5214      0.00000
    112      -1.5088      0.00000
    113      -0.5805      0.00000
    114       0.1311      0.00000
    115       0.2066      0.00000
    116       0.3211      0.00000
    117       0.3287      0.00000
    118       0.3353      0.00000
    119       0.4992      0.00000
    120       0.5936      0.00000
    121       1.2591      0.00000
    122       1.2718      0.00000
    123       1.5236      0.00000
    124       1.7950      0.00000
    125       1.8011      0.00000
    126       1.8054      0.00000
    127       1.8090      0.00000
    128       1.9452      0.00000
    129       1.9778      0.00000
    130       2.0323      0.00000
    131       2.0453      0.00000
    132       2.0501      0.00000
    133       2.0544      0.00000
    134       2.0590      0.00000
    135       2.3039      0.00000
    136       2.3241      0.00000
    137       2.6056      0.00000
    138       2.6153      0.00000
    139       2.6403      0.00000
    140       2.7218      0.00000
    141       2.8596      0.00000
    142       3.0253      0.00000
    143       3.0571      0.00000
    144       3.0783      0.00000
    145       3.0960      0.00000
    146       3.0982      0.00000
    147       3.1042      0.00000
    148       3.2277      0.00000
    149       3.4482      0.00000
    150       3.5381      0.00000
    151       3.7866      0.00000
    152       3.9372      0.00000
    153       3.9397      0.00000
    154       3.9562      0.00000
    155       3.9578      0.00000
    156       3.9981      0.00000
    157       4.1774      0.00000
    158       4.2652      0.00000
    159       4.2851      0.00000
    160       4.2860      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3196      1.00000
      2     -21.7609      1.00000
      3     -21.5705      1.00000
      4     -21.5376      1.00000
      5     -21.2076      1.00000
      6     -21.1625      1.00000
      7     -20.9864      1.00000
      8     -20.1012      1.00000
      9     -20.0569      1.00000
     10     -19.5470      1.00000
     11     -19.5221      1.00000
     12     -19.3478      1.00000
     13     -19.0241      1.00000
     14     -18.9907      1.00000
     15     -18.9806      1.00000
     16     -18.9686      1.00000
     17     -18.2976      1.00000
     18     -18.2784      1.00000
     19     -17.9502      1.00000
     20     -17.0082      1.00000
     21     -16.9580      1.00000
     22     -16.8758      1.00000
     23     -16.8715      1.00000
     24     -16.4053      1.00000
     25     -16.3926      1.00000
     26     -15.5536      1.00000
     27     -15.5359      1.00000
     28     -15.1978      1.00000
     29     -15.1673      1.00000
     30     -15.1128      1.00000
     31     -15.0260      1.00000
     32     -15.0019      1.00000
     33     -14.6383      1.00000
     34     -14.6244      1.00000
     35     -13.6693      1.00000
     36     -13.6515      1.00000
     37     -13.1671      1.00000
     38     -12.5495      1.00000
     39     -12.5176      1.00000
     40     -12.3912      1.00000
     41     -12.3749      1.00000
     42     -12.0579      1.00000
     43     -12.0340      1.00000
     44     -11.6622      1.00000
     45     -11.6199      1.00000
     46     -11.1834      1.00000
     47     -11.1560      1.00000
     48     -10.9659      1.00000
     49     -10.9364      1.00000
     50     -10.8753      1.00000
     51     -10.8386      1.00000
     52     -10.6040      1.00000
     53     -10.0962      1.00000
     54     -10.0837      1.00000
     55     -10.0462      1.00000
     56      -9.9701      1.00000
     57      -9.6555      1.00000
     58      -9.6259      1.00000
     59      -9.5924      1.00000
     60      -9.5284      1.00000
     61      -9.5157      1.00000
     62      -9.4777      1.00000
     63      -9.2654      1.00000
     64      -9.2376      1.00000
     65      -9.2205      1.00000
     66      -9.1698      1.00000
     67      -9.0678      1.00000
     68      -9.0462      1.00000
     69      -9.0378      1.00000
     70      -8.8828      1.00000
     71      -8.8101      1.00000
     72      -8.5833      1.00000
     73      -8.5212      1.00000
     74      -8.4677      1.00000
     75      -8.0320      1.00000
     76      -7.8130      1.00000
     77      -7.8067      1.00000
     78      -7.7958      1.00000
     79      -7.7005      1.00000
     80      -7.6870      1.00000
     81      -7.3613      1.00000
     82      -7.2730      1.00000
     83      -7.2658      1.00000
     84      -7.2145      1.00000
     85      -7.1720      1.00000
     86      -7.0073      1.00000
     87      -6.9507      1.00000
     88      -6.7481      1.00000
     89      -6.6724      1.00000
     90      -6.5937      1.00000
     91      -6.5583      1.00000
     92      -6.0512      1.00000
     93      -6.0470      1.00000
     94      -6.0216      1.00000
     95      -5.9594      1.00000
     96      -5.7350      1.00000
     97      -5.1594      1.00000
     98      -4.9893      1.00000
     99      -4.7176      1.00000
    100      -4.6105      1.00000
    101      -4.4410      1.00000
    102      -4.3736      1.00000
    103      -4.1226      1.00000
    104      -3.8682      1.00000
    105      -3.8352      1.00000
    106      -3.7922      1.00000
    107      -1.7856      0.00000
    108      -1.7378      0.00000
    109      -1.3931      0.00000
    110      -1.3478      0.00000
    111      -1.2637      0.00000
    112      -1.2256      0.00000
    113      -0.7422      0.00000
    114      -0.3767      0.00000
    115      -0.2236      0.00000
    116      -0.0153      0.00000
    117       0.5883      0.00000
    118       0.7343      0.00000
    119       0.7642      0.00000
    120       1.0503      0.00000
    121       1.1415      0.00000
    122       1.2511      0.00000
    123       1.2712      0.00000
    124       1.4134      0.00000
    125       1.4772      0.00000
    126       1.5826      0.00000
    127       1.7564      0.00000
    128       1.8386      0.00000
    129       1.8946      0.00000
    130       1.9586      0.00000
    131       2.1062      0.00000
    132       2.2321      0.00000
    133       2.2472      0.00000
    134       2.2917      0.00000
    135       2.4856      0.00000
    136       2.6118      0.00000
    137       2.6357      0.00000
    138       2.7627      0.00000
    139       2.7958      0.00000
    140       2.8564      0.00000
    141       2.8665      0.00000
    142       2.8917      0.00000
    143       2.9578      0.00000
    144       3.0776      0.00000
    145       3.2789      0.00000
    146       3.3006      0.00000
    147       3.3747      0.00000
    148       3.4078      0.00000
    149       3.4633      0.00000
    150       3.5842      0.00000
    151       3.6373      0.00000
    152       3.6699      0.00000
    153       3.7048      0.00000
    154       3.9021      0.00000
    155       3.9383      0.00000
    156       3.9790      0.00000
    157       4.0800      0.00000
    158       4.1991      0.00000
    159       4.2407      0.00000
    160       4.2941      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2139      1.00000
      2     -22.0075      1.00000
      3     -21.6493      1.00000
      4     -21.6120      1.00000
      5     -20.9128      1.00000
      6     -20.8662      1.00000
      7     -20.5454      1.00000
      8     -20.5052      1.00000
      9     -20.4956      1.00000
     10     -19.9625      1.00000
     11     -19.4431      1.00000
     12     -19.4159      1.00000
     13     -19.2423      1.00000
     14     -19.2276      1.00000
     15     -18.3831      1.00000
     16     -18.3387      1.00000
     17     -17.8598      1.00000
     18     -17.8395      1.00000
     19     -17.6968      1.00000
     20     -17.6538      1.00000
     21     -17.3713      1.00000
     22     -17.3570      1.00000
     23     -17.2721      1.00000
     24     -16.4029      1.00000
     25     -16.3883      1.00000
     26     -15.8951      1.00000
     27     -15.3550      1.00000
     28     -15.3371      1.00000
     29     -15.0373      1.00000
     30     -15.0206      1.00000
     31     -14.7989      1.00000
     32     -14.7731      1.00000
     33     -14.2200      1.00000
     34     -14.1888      1.00000
     35     -13.3690      1.00000
     36     -13.3365      1.00000
     37     -13.1214      1.00000
     38     -13.1019      1.00000
     39     -12.9158      1.00000
     40     -12.9013      1.00000
     41     -12.5580      1.00000
     42     -12.5382      1.00000
     43     -12.1305      1.00000
     44     -11.5248      1.00000
     45     -11.4767      1.00000
     46     -11.2559      1.00000
     47     -11.2224      1.00000
     48     -11.0770      1.00000
     49     -10.6633      1.00000
     50     -10.5884      1.00000
     51     -10.5255      1.00000
     52     -10.2546      1.00000
     53     -10.2478      1.00000
     54     -10.1238      1.00000
     55     -10.0505      1.00000
     56     -10.0414      1.00000
     57      -9.7717      1.00000
     58      -9.6983      1.00000
     59      -9.6831      1.00000
     60      -9.6341      1.00000
     61      -9.6187      1.00000
     62      -9.5877      1.00000
     63      -9.2969      1.00000
     64      -9.2798      1.00000
     65      -9.2576      1.00000
     66      -9.0923      1.00000
     67      -8.8918      1.00000
     68      -8.8852      1.00000
     69      -8.7248      1.00000
     70      -8.5915      1.00000
     71      -8.5179      1.00000
     72      -8.3302      1.00000
     73      -8.3027      1.00000
     74      -8.2650      1.00000
     75      -8.2314      1.00000
     76      -8.1955      1.00000
     77      -8.1864      1.00000
     78      -8.1737      1.00000
     79      -8.1072      1.00000
     80      -7.6883      1.00000
     81      -7.3540      1.00000
     82      -7.3102      1.00000
     83      -7.2626      1.00000
     84      -7.1856      1.00000
     85      -7.1243      1.00000
     86      -7.0769      1.00000
     87      -6.9081      1.00000
     88      -6.8826      1.00000
     89      -6.5526      1.00000
     90      -6.4895      1.00000
     91      -6.2127      1.00000
     92      -6.0703      1.00000
     93      -5.9412      1.00000
     94      -5.7171      1.00000
     95      -5.6319      1.00000
     96      -5.4520      1.00000
     97      -5.3058      1.00000
     98      -5.2323      1.00000
     99      -5.1527      1.00000
    100      -5.1500      1.00000
    101      -4.5251      1.00000
    102      -4.4707      1.00000
    103      -4.1437      1.00000
    104      -3.8383      1.00000
    105      -3.7580      1.00000
    106      -3.6807      1.00000
    107      -1.8709      0.00000
    108      -1.8232      0.00000
    109      -1.2746      0.00000
    110      -1.0387      0.00000
    111      -1.0107      0.00000
    112      -0.7104      0.00000
    113      -0.6424      0.00000
    114      -0.5879      0.00000
    115      -0.5458      0.00000
    116      -0.1982      0.00000
    117       0.2533      0.00000
    118       0.2788      0.00000
    119       0.7589      0.00000
    120       0.9445      0.00000
    121       1.1299      0.00000
    122       1.2260      0.00000
    123       1.3200      0.00000
    124       1.4107      0.00000
    125       1.5981      0.00000
    126       1.6327      0.00000
    127       1.6975      0.00000
    128       1.8250      0.00000
    129       1.9164      0.00000
    130       2.0075      0.00000
    131       2.1052      0.00000
    132       2.3306      0.00000
    133       2.3963      0.00000
    134       2.4298      0.00000
    135       2.5387      0.00000
    136       2.6331      0.00000
    137       2.7558      0.00000
    138       2.8203      0.00000
    139       2.8304      0.00000
    140       2.8870      0.00000
    141       3.0401      0.00000
    142       3.0879      0.00000
    143       3.1826      0.00000
    144       3.2365      0.00000
    145       3.3829      0.00000
    146       3.4209      0.00000
    147       3.4781      0.00000
    148       3.5735      0.00000
    149       3.5976      0.00000
    150       3.6250      0.00000
    151       3.6502      0.00000
    152       3.7410      0.00000
    153       3.7702      0.00000
    154       3.7837      0.00000
    155       3.8057      0.00000
    156       3.8937      0.00000
    157       3.9728      0.00000
    158       4.0044      0.00000
    159       4.1713      0.00000
    160       4.2388      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2477      1.00000
      2     -21.8934      1.00000
      3     -21.8227      1.00000
      4     -21.3119      1.00000
      5     -21.2817      1.00000
      6     -20.7694      1.00000
      7     -20.7035      1.00000
      8     -20.5547      1.00000
      9     -20.0095      1.00000
     10     -20.0025      1.00000
     11     -19.6469      1.00000
     12     -19.6227      1.00000
     13     -18.9294      1.00000
     14     -18.9214      1.00000
     15     -18.5728      1.00000
     16     -18.5586      1.00000
     17     -18.3909      1.00000
     18     -17.6123      1.00000
     19     -17.5562      1.00000
     20     -17.5506      1.00000
     21     -17.5086      1.00000
     22     -17.0569      1.00000
     23     -17.0388      1.00000
     24     -16.8955      1.00000
     25     -15.9331      1.00000
     26     -15.8688      1.00000
     27     -15.5152      1.00000
     28     -15.5139      1.00000
     29     -15.2275      1.00000
     30     -14.7947      1.00000
     31     -14.7671      1.00000
     32     -14.5120      1.00000
     33     -14.4674      1.00000
     34     -14.1057      1.00000
     35     -14.0945      1.00000
     36     -13.0771      1.00000
     37     -13.0295      1.00000
     38     -12.9628      1.00000
     39     -12.9507      1.00000
     40     -12.6418      1.00000
     41     -12.6356      1.00000
     42     -12.2763      1.00000
     43     -12.2448      1.00000
     44     -11.5919      1.00000
     45     -11.5652      1.00000
     46     -11.5081      1.00000
     47     -10.9079      1.00000
     48     -10.8537      1.00000
     49     -10.6229      1.00000
     50     -10.5567      1.00000
     51     -10.4832      1.00000
     52     -10.4372      1.00000
     53     -10.4266      1.00000
     54     -10.3695      1.00000
     55     -10.2859      1.00000
     56     -10.0661      1.00000
     57      -9.8329      1.00000
     58      -9.5405      1.00000
     59      -9.4796      1.00000
     60      -9.4743      1.00000
     61      -9.3502      1.00000
     62      -9.3318      1.00000
     63      -9.3037      1.00000
     64      -9.3036      1.00000
     65      -9.2148      1.00000
     66      -9.1160      1.00000
     67      -9.0859      1.00000
     68      -9.0518      1.00000
     69      -8.8518      1.00000
     70      -8.7974      1.00000
     71      -8.7777      1.00000
     72      -8.5261      1.00000
     73      -8.4762      1.00000
     74      -8.2257      1.00000
     75      -8.1137      1.00000
     76      -8.1026      1.00000
     77      -7.8084      1.00000
     78      -7.7795      1.00000
     79      -7.7756      1.00000
     80      -7.6750      1.00000
     81      -7.6290      1.00000
     82      -7.6290      1.00000
     83      -7.3995      1.00000
     84      -7.3241      1.00000
     85      -7.1978      1.00000
     86      -6.8409      1.00000
     87      -6.8320      1.00000
     88      -6.6634      1.00000
     89      -6.5385      1.00000
     90      -6.3404      1.00000
     91      -6.3076      1.00000
     92      -6.1862      1.00000
     93      -6.1528      1.00000
     94      -5.9757      1.00000
     95      -5.5706      1.00000
     96      -5.4245      1.00000
     97      -5.2567      1.00000
     98      -5.2539      1.00000
     99      -5.1472      1.00000
    100      -4.6971      1.00000
    101      -4.6645      1.00000
    102      -4.3494      1.00000
    103      -4.3175      1.00000
    104      -3.9651      1.00000
    105      -3.8318      1.00000
    106      -3.3911      1.00000
    107      -2.2197      0.00000
    108      -1.3772      0.00000
    109      -1.2865      0.00000
    110      -1.1722      0.00000
    111      -1.0765      0.00000
    112      -0.8926      0.00000
    113      -0.7674      0.00000
    114      -0.7564      0.00000
    115      -0.2134      0.00000
    116       0.1105      0.00000
    117       0.2604      0.00000
    118       0.3458      0.00000
    119       0.7325      0.00000
    120       0.9043      0.00000
    121       0.9726      0.00000
    122       1.0938      0.00000
    123       1.2075      0.00000
    124       1.5283      0.00000
    125       1.5586      0.00000
    126       1.7146      0.00000
    127       1.8398      0.00000
    128       1.8639      0.00000
    129       1.9674      0.00000
    130       1.9940      0.00000
    131       2.1578      0.00000
    132       2.2643      0.00000
    133       2.4519      0.00000
    134       2.4693      0.00000
    135       2.5070      0.00000
    136       2.6633      0.00000
    137       2.6839      0.00000
    138       2.7307      0.00000
    139       2.7433      0.00000
    140       2.8884      0.00000
    141       3.0211      0.00000
    142       3.0794      0.00000
    143       3.1935      0.00000
    144       3.2536      0.00000
    145       3.2569      0.00000
    146       3.2663      0.00000
    147       3.3578      0.00000
    148       3.4778      0.00000
    149       3.5262      0.00000
    150       3.6948      0.00000
    151       3.7503      0.00000
    152       3.7708      0.00000
    153       3.8315      0.00000
    154       3.8762      0.00000
    155       3.9388      0.00000
    156       3.9824      0.00000
    157       4.0241      0.00000
    158       4.0492      0.00000
    159       4.0541      0.00000
    160       4.1225      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1417      1.00000
      2     -22.0464      1.00000
      3     -21.8865      1.00000
      4     -21.3347      1.00000
      5     -20.9814      1.00000
      6     -20.9427      1.00000
      7     -20.4332      1.00000
      8     -20.3904      1.00000
      9     -20.2256      1.00000
     10     -20.2042      1.00000
     11     -19.8895      1.00000
     12     -19.8219      1.00000
     13     -18.8157      1.00000
     14     -18.7446      1.00000
     15     -18.2887      1.00000
     16     -18.2353      1.00000
     17     -18.0854      1.00000
     18     -18.0658      1.00000
     19     -17.7603      1.00000
     20     -17.7182      1.00000
     21     -17.1870      1.00000
     22     -17.1732      1.00000
     23     -17.0972      1.00000
     24     -17.0651      1.00000
     25     -16.0367      1.00000
     26     -15.8246      1.00000
     27     -15.7993      1.00000
     28     -15.7665      1.00000
     29     -15.1722      1.00000
     30     -14.4933      1.00000
     31     -14.4593      1.00000
     32     -14.2168      1.00000
     33     -13.8922      1.00000
     34     -13.8894      1.00000
     35     -13.7542      1.00000
     36     -13.7365      1.00000
     37     -13.5519      1.00000
     38     -13.5030      1.00000
     39     -13.2993      1.00000
     40     -12.5634      1.00000
     41     -12.1266      1.00000
     42     -12.0661      1.00000
     43     -12.0115      1.00000
     44     -11.9529      1.00000
     45     -11.6083      1.00000
     46     -11.5854      1.00000
     47     -11.0885      1.00000
     48     -11.0525      1.00000
     49     -10.7567      1.00000
     50     -10.6673      1.00000
     51     -10.5286      1.00000
     52     -10.1444      1.00000
     53     -10.1387      1.00000
     54     -10.0953      1.00000
     55      -9.9543      1.00000
     56      -9.9445      1.00000
     57      -9.9162      1.00000
     58      -9.7416      1.00000
     59      -9.7230      1.00000
     60      -9.7037      1.00000
     61      -9.6888      1.00000
     62      -9.4328      1.00000
     63      -9.3662      1.00000
     64      -9.0890      1.00000
     65      -9.0030      1.00000
     66      -8.9751      1.00000
     67      -8.8891      1.00000
     68      -8.8107      1.00000
     69      -8.6590      1.00000
     70      -8.6300      1.00000
     71      -8.5822      1.00000
     72      -8.4814      1.00000
     73      -8.4716      1.00000
     74      -8.3994      1.00000
     75      -8.3921      1.00000
     76      -8.1839      1.00000
     77      -8.1160      1.00000
     78      -7.9763      1.00000
     79      -7.9169      1.00000
     80      -7.8453      1.00000
     81      -7.6198      1.00000
     82      -7.5308      1.00000
     83      -7.4710      1.00000
     84      -7.2541      1.00000
     85      -6.9325      1.00000
     86      -6.8549      1.00000
     87      -6.8087      1.00000
     88      -6.5766      1.00000
     89      -6.4693      1.00000
     90      -6.4228      1.00000
     91      -6.3570      1.00000
     92      -6.0524      1.00000
     93      -5.8777      1.00000
     94      -5.7536      1.00000
     95      -5.7200      1.00000
     96      -5.4777      1.00000
     97      -5.3456      1.00000
     98      -5.1795      1.00000
     99      -5.1553      1.00000
    100      -5.1542      1.00000
    101      -4.7089      1.00000
    102      -4.4410      1.00000
    103      -4.2576      1.00000
    104      -3.9966      1.00000
    105      -3.8306      1.00000
    106      -3.1566      1.00000
    107      -2.4625      0.00000
    108      -1.3764      0.00000
    109      -1.2428      0.00000
    110      -1.1452      0.00000
    111      -1.1152      0.00000
    112      -0.5611      0.00000
    113      -0.4348      0.00000
    114      -0.4288      0.00000
    115      -0.3124      0.00000
    116      -0.1888      0.00000
    117       0.0628      0.00000
    118       0.1190      0.00000
    119       0.5389      0.00000
    120       0.6844      0.00000
    121       0.8699      0.00000
    122       0.9667      0.00000
    123       1.1093      0.00000
    124       1.4941      0.00000
    125       1.6608      0.00000
    126       1.7967      0.00000
    127       1.8735      0.00000
    128       2.0893      0.00000
    129       2.1357      0.00000
    130       2.1957      0.00000
    131       2.2149      0.00000
    132       2.3395      0.00000
    133       2.3620      0.00000
    134       2.4874      0.00000
    135       2.5810      0.00000
    136       2.6659      0.00000
    137       2.8780      0.00000
    138       2.9391      0.00000
    139       2.9651      0.00000
    140       2.9875      0.00000
    141       3.0415      0.00000
    142       3.1478      0.00000
    143       3.1821      0.00000
    144       3.2440      0.00000
    145       3.2897      0.00000
    146       3.3306      0.00000
    147       3.3467      0.00000
    148       3.3782      0.00000
    149       3.4047      0.00000
    150       3.4936      0.00000
    151       3.5488      0.00000
    152       3.6284      0.00000
    153       3.6940      0.00000
    154       3.7062      0.00000
    155       3.7235      0.00000
    156       3.9173      0.00000
    157       3.9336      0.00000
    158       4.0547      0.00000
    159       4.0860      0.00000
    160       4.1964      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2476      1.00000
      2     -21.8949      1.00000
      3     -21.8212      1.00000
      4     -21.3158      1.00000
      5     -21.2768      1.00000
      6     -20.7716      1.00000
      7     -20.7026      1.00000
      8     -20.5549      1.00000
      9     -20.0220      1.00000
     10     -19.9895      1.00000
     11     -19.6503      1.00000
     12     -19.6192      1.00000
     13     -18.9429      1.00000
     14     -18.9081      1.00000
     15     -18.5826      1.00000
     16     -18.5451      1.00000
     17     -18.3932      1.00000
     18     -17.6020      1.00000
     19     -17.5734      1.00000
     20     -17.5415      1.00000
     21     -17.5096      1.00000
     22     -17.0735      1.00000
     23     -17.0269      1.00000
     24     -16.8977      1.00000
     25     -15.9434      1.00000
     26     -15.8500      1.00000
     27     -15.5345      1.00000
     28     -15.5061      1.00000
     29     -15.2095      1.00000
     30     -14.8140      1.00000
     31     -14.7605      1.00000
     32     -14.5110      1.00000
     33     -14.4692      1.00000
     34     -14.0930      1.00000
     35     -14.0919      1.00000
     36     -13.1047      1.00000
     37     -13.0307      1.00000
     38     -12.9596      1.00000
     39     -12.9499      1.00000
     40     -12.6581      1.00000
     41     -12.6279      1.00000
     42     -12.2739      1.00000
     43     -12.2445      1.00000
     44     -11.5703      1.00000
     45     -11.5517      1.00000
     46     -11.4996      1.00000
     47     -10.8818      1.00000
     48     -10.8625      1.00000
     49     -10.6855      1.00000
     50     -10.5297      1.00000
     51     -10.5176      1.00000
     52     -10.4295      1.00000
     53     -10.4155      1.00000
     54     -10.3704      1.00000
     55     -10.2914      1.00000
     56     -10.0615      1.00000
     57      -9.8317      1.00000
     58      -9.5629      1.00000
     59      -9.4883      1.00000
     60      -9.4474      1.00000
     61      -9.3477      1.00000
     62      -9.3430      1.00000
     63      -9.3110      1.00000
     64      -9.3040      1.00000
     65      -9.2053      1.00000
     66      -9.0970      1.00000
     67      -9.0656      1.00000
     68      -9.0477      1.00000
     69      -8.8550      1.00000
     70      -8.7887      1.00000
     71      -8.7810      1.00000
     72      -8.5276      1.00000
     73      -8.4986      1.00000
     74      -8.2316      1.00000
     75      -8.1260      1.00000
     76      -8.0932      1.00000
     77      -7.8087      1.00000
     78      -7.7698      1.00000
     79      -7.7392      1.00000
     80      -7.7043      1.00000
     81      -7.6406      1.00000
     82      -7.6217      1.00000
     83      -7.3873      1.00000
     84      -7.3452      1.00000
     85      -7.2172      1.00000
     86      -6.8454      1.00000
     87      -6.8159      1.00000
     88      -6.6414      1.00000
     89      -6.5282      1.00000
     90      -6.3445      1.00000
     91      -6.2716      1.00000
     92      -6.1946      1.00000
     93      -6.1286      1.00000
     94      -6.0222      1.00000
     95      -5.6400      1.00000
     96      -5.5077      1.00000
     97      -5.2988      1.00000
     98      -5.1567      1.00000
     99      -5.0390      1.00000
    100      -4.7281      1.00000
    101      -4.6841      1.00000
    102      -4.3671      1.00000
    103      -4.1874      1.00000
    104      -4.0097      1.00000
    105      -3.8301      1.00000
    106      -3.4830      1.00000
    107      -2.1645      0.00000
    108      -1.3813      0.00000
    109      -1.2363      0.00000
    110      -1.1849      0.00000
    111      -1.0123      0.00000
    112      -0.9584      0.00000
    113      -0.7980      0.00000
    114      -0.7523      0.00000
    115      -0.3613      0.00000
    116       0.2462      0.00000
    117       0.2779      0.00000
    118       0.3658      0.00000
    119       0.6986      0.00000
    120       0.8676      0.00000
    121       0.9657      0.00000
    122       1.1250      0.00000
    123       1.2344      0.00000
    124       1.4548      0.00000
    125       1.5515      0.00000
    126       1.7809      0.00000
    127       1.8495      0.00000
    128       1.8835      0.00000
    129       1.9820      0.00000
    130       2.0286      0.00000
    131       2.1971      0.00000
    132       2.2089      0.00000
    133       2.3995      0.00000
    134       2.4502      0.00000
    135       2.5571      0.00000
    136       2.6586      0.00000
    137       2.6857      0.00000
    138       2.7257      0.00000
    139       2.7655      0.00000
    140       2.8531      0.00000
    141       2.9639      0.00000
    142       3.0780      0.00000
    143       3.1905      0.00000
    144       3.2384      0.00000
    145       3.2542      0.00000
    146       3.2927      0.00000
    147       3.3270      0.00000
    148       3.4797      0.00000
    149       3.5042      0.00000
    150       3.7080      0.00000
    151       3.7192      0.00000
    152       3.7686      0.00000
    153       3.8587      0.00000
    154       3.8734      0.00000
    155       3.8960      0.00000
    156       3.9958      0.00000
    157       3.9974      0.00000
    158       4.0487      0.00000
    159       4.0666      0.00000
    160       4.1097      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3195      1.00000
      2     -21.7617      1.00000
      3     -21.5674      1.00000
      4     -21.5397      1.00000
      5     -21.2049      1.00000
      6     -21.1655      1.00000
      7     -20.9863      1.00000
      8     -20.0993      1.00000
      9     -20.0600      1.00000
     10     -19.5442      1.00000
     11     -19.5242      1.00000
     12     -19.3466      1.00000
     13     -19.0283      1.00000
     14     -18.9871      1.00000
     15     -18.9769      1.00000
     16     -18.9722      1.00000
     17     -18.2946      1.00000
     18     -18.2813      1.00000
     19     -17.9493      1.00000
     20     -17.0032      1.00000
     21     -16.9620      1.00000
     22     -16.8821      1.00000
     23     -16.8690      1.00000
     24     -16.4127      1.00000
     25     -16.3895      1.00000
     26     -15.5385      1.00000
     27     -15.5350      1.00000
     28     -15.1742      1.00000
     29     -15.1724      1.00000
     30     -15.1343      1.00000
     31     -15.0386      1.00000
     32     -15.0030      1.00000
     33     -14.6310      1.00000
     34     -14.6236      1.00000
     35     -13.6612      1.00000
     36     -13.6509      1.00000
     37     -13.1758      1.00000
     38     -12.5752      1.00000
     39     -12.5148      1.00000
     40     -12.3879      1.00000
     41     -12.3872      1.00000
     42     -12.0353      1.00000
     43     -12.0307      1.00000
     44     -11.6490      1.00000
     45     -11.6084      1.00000
     46     -11.2056      1.00000
     47     -11.1552      1.00000
     48     -10.9586      1.00000
     49     -10.9459      1.00000
     50     -10.8572      1.00000
     51     -10.8247      1.00000
     52     -10.6271      1.00000
     53     -10.1497      1.00000
     54     -10.0859      1.00000
     55     -10.0294      1.00000
     56      -9.9483      1.00000
     57      -9.6324      1.00000
     58      -9.6312      1.00000
     59      -9.6037      1.00000
     60      -9.5388      1.00000
     61      -9.4997      1.00000
     62      -9.4769      1.00000
     63      -9.2755      1.00000
     64      -9.2398      1.00000
     65      -9.2097      1.00000
     66      -9.1711      1.00000
     67      -9.0620      1.00000
     68      -9.0507      1.00000
     69      -9.0466      1.00000
     70      -8.8777      1.00000
     71      -8.8001      1.00000
     72      -8.5393      1.00000
     73      -8.5300      1.00000
     74      -8.5032      1.00000
     75      -8.0376      1.00000
     76      -7.8281      1.00000
     77      -7.8031      1.00000
     78      -7.7712      1.00000
     79      -7.7069      1.00000
     80      -7.6879      1.00000
     81      -7.4113      1.00000
     82      -7.2907      1.00000
     83      -7.2551      1.00000
     84      -7.2021      1.00000
     85      -7.0841      1.00000
     86      -7.0729      1.00000
     87      -6.9307      1.00000
     88      -6.7128      1.00000
     89      -6.6736      1.00000
     90      -6.6278      1.00000
     91      -6.5577      1.00000
     92      -6.0755      1.00000
     93      -6.0336      1.00000
     94      -5.9980      1.00000
     95      -5.9328      1.00000
     96      -5.8030      1.00000
     97      -5.1835      1.00000
     98      -4.8959      1.00000
     99      -4.7933      1.00000
    100      -4.6121      1.00000
    101      -4.5118      1.00000
    102      -4.1392      1.00000
    103      -4.0938      1.00000
    104      -3.9301      1.00000
    105      -3.9157      1.00000
    106      -3.8292      1.00000
    107      -1.7517      0.00000
    108      -1.6959      0.00000
    109      -1.4086      0.00000
    110      -1.3719      0.00000
    111      -1.2635      0.00000
    112      -1.2373      0.00000
    113      -0.6195      0.00000
    114      -0.6018      0.00000
    115      -0.1886      0.00000
    116       0.0460      0.00000
    117       0.5824      0.00000
    118       0.7411      0.00000
    119       0.8521      0.00000
    120       0.9276      0.00000
    121       1.1665      0.00000
    122       1.2087      0.00000
    123       1.2449      0.00000
    124       1.4162      0.00000
    125       1.5978      0.00000
    126       1.6357      0.00000
    127       1.7032      0.00000
    128       1.8053      0.00000
    129       1.9231      0.00000
    130       1.9409      0.00000
    131       2.1467      0.00000
    132       2.1706      0.00000
    133       2.2587      0.00000
    134       2.2963      0.00000
    135       2.5405      0.00000
    136       2.5559      0.00000
    137       2.6345      0.00000
    138       2.7586      0.00000
    139       2.8047      0.00000
    140       2.8484      0.00000
    141       2.8932      0.00000
    142       2.9454      0.00000
    143       3.0123      0.00000
    144       3.0249      0.00000
    145       3.0791      0.00000
    146       3.3076      0.00000
    147       3.3720      0.00000
    148       3.4174      0.00000
    149       3.4769      0.00000
    150       3.5956      0.00000
    151       3.6562      0.00000
    152       3.6629      0.00000
    153       3.6783      0.00000
    154       3.8918      0.00000
    155       3.9739      0.00000
    156       4.0252      0.00000
    157       4.0683      0.00000
    158       4.2340      0.00000
    159       4.2553      0.00000
    160       4.2638      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1409      1.00000
      2     -22.0481      1.00000
      3     -21.8856      1.00000
      4     -21.3346      1.00000
      5     -20.9768      1.00000
      6     -20.9475      1.00000
      7     -20.4278      1.00000
      8     -20.3959      1.00000
      9     -20.2169      1.00000
     10     -20.2156      1.00000
     11     -19.8863      1.00000
     12     -19.8224      1.00000
     13     -18.8155      1.00000
     14     -18.7445      1.00000
     15     -18.2680      1.00000
     16     -18.2537      1.00000
     17     -18.0798      1.00000
     18     -18.0736      1.00000
     19     -17.7477      1.00000
     20     -17.7316      1.00000
     21     -17.1931      1.00000
     22     -17.1701      1.00000
     23     -17.0934      1.00000
     24     -17.0644      1.00000
     25     -16.0557      1.00000
     26     -15.8065      1.00000
     27     -15.7970      1.00000
     28     -15.7738      1.00000
     29     -15.1622      1.00000
     30     -14.4823      1.00000
     31     -14.4608      1.00000
     32     -14.2063      1.00000
     33     -13.9200      1.00000
     34     -13.8901      1.00000
     35     -13.7602      1.00000
     36     -13.7397      1.00000
     37     -13.5358      1.00000
     38     -13.5097      1.00000
     39     -13.3021      1.00000
     40     -12.5781      1.00000
     41     -12.0998      1.00000
     42     -12.0755      1.00000
     43     -11.9957      1.00000
     44     -11.9475      1.00000
     45     -11.6113      1.00000
     46     -11.6036      1.00000
     47     -11.0815      1.00000
     48     -11.0578      1.00000
     49     -10.7265      1.00000
     50     -10.6576      1.00000
     51     -10.5617      1.00000
     52     -10.1441      1.00000
     53     -10.1391      1.00000
     54     -10.1009      1.00000
     55      -9.9681      1.00000
     56      -9.9282      1.00000
     57      -9.9220      1.00000
     58      -9.7535      1.00000
     59      -9.7334      1.00000
     60      -9.6981      1.00000
     61      -9.6938      1.00000
     62      -9.4024      1.00000
     63      -9.3807      1.00000
     64      -9.0714      1.00000
     65      -8.9845      1.00000
     66      -8.9843      1.00000
     67      -8.9040      1.00000
     68      -8.8116      1.00000
     69      -8.6536      1.00000
     70      -8.6382      1.00000
     71      -8.5528      1.00000
     72      -8.4954      1.00000
     73      -8.4756      1.00000
     74      -8.3949      1.00000
     75      -8.3825      1.00000
     76      -8.2101      1.00000
     77      -8.1037      1.00000
     78      -8.0084      1.00000
     79      -7.9042      1.00000
     80      -7.8471      1.00000
     81      -7.6215      1.00000
     82      -7.5318      1.00000
     83      -7.4523      1.00000
     84      -7.2509      1.00000
     85      -6.9480      1.00000
     86      -6.8742      1.00000
     87      -6.8143      1.00000
     88      -6.4760      1.00000
     89      -6.4644      1.00000
     90      -6.4036      1.00000
     91      -6.3581      1.00000
     92      -6.1942      1.00000
     93      -5.8588      1.00000
     94      -5.7378      1.00000
     95      -5.7112      1.00000
     96      -5.5259      1.00000
     97      -5.3285      1.00000
     98      -5.1743      1.00000
     99      -5.1677      1.00000
    100      -5.1332      1.00000
    101      -4.6945      1.00000
    102      -4.3474      1.00000
    103      -4.2835      1.00000
    104      -4.0297      1.00000
    105      -3.8316      1.00000
    106      -3.2313      1.00000
    107      -2.4062      0.00000
    108      -1.3426      0.00000
    109      -1.2469      0.00000
    110      -1.1533      0.00000
    111      -1.1074      0.00000
    112      -0.5793      0.00000
    113      -0.5222      0.00000
    114      -0.4342      0.00000
    115      -0.2734      0.00000
    116      -0.0689      0.00000
    117      -0.0105      0.00000
    118       0.0577      0.00000
    119       0.5835      0.00000
    120       0.7118      0.00000
    121       0.8084      0.00000
    122       0.9423      0.00000
    123       1.1819      0.00000
    124       1.5063      0.00000
    125       1.6201      0.00000
    126       1.8538      0.00000
    127       2.0014      0.00000
    128       2.0494      0.00000
    129       2.1092      0.00000
    130       2.1542      0.00000
    131       2.2601      0.00000
    132       2.2866      0.00000
    133       2.3487      0.00000
    134       2.4638      0.00000
    135       2.6103      0.00000
    136       2.6977      0.00000
    137       2.8161      0.00000
    138       2.9111      0.00000
    139       2.9395      0.00000
    140       3.0155      0.00000
    141       3.0437      0.00000
    142       3.1540      0.00000
    143       3.1646      0.00000
    144       3.2209      0.00000
    145       3.2972      0.00000
    146       3.3096      0.00000
    147       3.3513      0.00000
    148       3.3709      0.00000
    149       3.4147      0.00000
    150       3.4418      0.00000
    151       3.5549      0.00000
    152       3.6103      0.00000
    153       3.7007      0.00000
    154       3.7244      0.00000
    155       3.8439      0.00000
    156       3.9025      0.00000
    157       3.9309      0.00000
    158       3.9581      0.00000
    159       4.1392      0.00000
    160       4.1771      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2136      1.00000
      2     -22.0085      1.00000
      3     -21.6460      1.00000
      4     -21.6143      1.00000
      5     -20.9101      1.00000
      6     -20.8689      1.00000
      7     -20.5398      1.00000
      8     -20.5077      1.00000
      9     -20.4998      1.00000
     10     -19.9639      1.00000
     11     -19.4389      1.00000
     12     -19.4173      1.00000
     13     -19.2382      1.00000
     14     -19.2312      1.00000
     15     -18.3782      1.00000
     16     -18.3426      1.00000
     17     -17.8580      1.00000
     18     -17.8421      1.00000
     19     -17.6939      1.00000
     20     -17.6575      1.00000
     21     -17.3716      1.00000
     22     -17.3575      1.00000
     23     -17.2715      1.00000
     24     -16.4099      1.00000
     25     -16.3858      1.00000
     26     -15.9072      1.00000
     27     -15.3410      1.00000
     28     -15.3358      1.00000
     29     -15.0287      1.00000
     30     -15.0185      1.00000
     31     -14.7790      1.00000
     32     -14.7764      1.00000
     33     -14.2405      1.00000
     34     -14.1896      1.00000
     35     -13.3906      1.00000
     36     -13.3360      1.00000
     37     -13.1102      1.00000
     38     -13.1016      1.00000
     39     -12.9194      1.00000
     40     -12.9138      1.00000
     41     -12.5450      1.00000
     42     -12.5368      1.00000
     43     -12.1390      1.00000
     44     -11.5084      1.00000
     45     -11.4637      1.00000
     46     -11.2398      1.00000
     47     -11.2082      1.00000
     48     -11.0926      1.00000
     49     -10.7078      1.00000
     50     -10.5928      1.00000
     51     -10.5082      1.00000
     52     -10.2558      1.00000
     53     -10.2511      1.00000
     54     -10.1217      1.00000
     55     -10.0511      1.00000
     56     -10.0362      1.00000
     57      -9.7869      1.00000
     58      -9.6902      1.00000
     59      -9.6757      1.00000
     60      -9.6413      1.00000
     61      -9.6315      1.00000
     62      -9.5851      1.00000
     63      -9.2992      1.00000
     64      -9.2866      1.00000
     65      -9.2444      1.00000
     66      -9.0691      1.00000
     67      -8.8981      1.00000
     68      -8.8868      1.00000
     69      -8.7183      1.00000
     70      -8.5847      1.00000
     71      -8.5181      1.00000
     72      -8.3520      1.00000
     73      -8.3046      1.00000
     74      -8.2439      1.00000
     75      -8.2406      1.00000
     76      -8.1929      1.00000
     77      -8.1787      1.00000
     78      -8.1638      1.00000
     79      -8.1140      1.00000
     80      -7.6921      1.00000
     81      -7.4170      1.00000
     82      -7.3475      1.00000
     83      -7.2612      1.00000
     84      -7.1748      1.00000
     85      -7.1096      1.00000
     86      -7.0022      1.00000
     87      -6.9026      1.00000
     88      -6.8458      1.00000
     89      -6.5350      1.00000
     90      -6.5053      1.00000
     91      -6.2164      1.00000
     92      -6.1949      1.00000
     93      -5.8956      1.00000
     94      -5.6732      1.00000
     95      -5.6102      1.00000
     96      -5.5796      1.00000
     97      -5.2548      1.00000
     98      -5.2320      1.00000
     99      -5.1654      1.00000
    100      -5.1343      1.00000
    101      -4.5993      1.00000
    102      -4.2533      1.00000
    103      -4.0460      1.00000
    104      -3.8822      1.00000
    105      -3.8431      1.00000
    106      -3.8001      1.00000
    107      -1.8088      0.00000
    108      -1.7810      0.00000
    109      -1.2220      0.00000
    110      -1.1787      0.00000
    111      -0.9725      0.00000
    112      -0.7320      0.00000
    113      -0.6510      0.00000
    114      -0.5926      0.00000
    115      -0.5511      0.00000
    116      -0.1474      0.00000
    117       0.1752      0.00000
    118       0.2867      0.00000
    119       0.7037      0.00000
    120       0.9473      0.00000
    121       1.1687      0.00000
    122       1.2797      0.00000
    123       1.3454      0.00000
    124       1.5099      0.00000
    125       1.6072      0.00000
    126       1.6265      0.00000
    127       1.6924      0.00000
    128       1.7731      0.00000
    129       1.8572      0.00000
    130       2.0786      0.00000
    131       2.1631      0.00000
    132       2.3168      0.00000
    133       2.3894      0.00000
    134       2.4201      0.00000
    135       2.5527      0.00000
    136       2.6226      0.00000
    137       2.6841      0.00000
    138       2.7487      0.00000
    139       2.8151      0.00000
    140       2.9072      0.00000
    141       3.0518      0.00000
    142       3.0592      0.00000
    143       3.1781      0.00000
    144       3.2759      0.00000
    145       3.3754      0.00000
    146       3.4083      0.00000
    147       3.4545      0.00000
    148       3.5477      0.00000
    149       3.5681      0.00000
    150       3.6291      0.00000
    151       3.6604      0.00000
    152       3.7014      0.00000
    153       3.7833      0.00000
    154       3.7992      0.00000
    155       3.8198      0.00000
    156       3.8906      0.00000
    157       3.9013      0.00000
    158       3.9756      0.00000
    159       4.1876      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     -22.3562      1.00000
      2     -21.5368      1.00000
      3     -21.4071      1.00000
      4     -21.4052      1.00000
      5     -21.3741      1.00000
      6     -21.3657      1.00000
      7     -21.3583      1.00000
      8     -19.6460      1.00000
      9     -19.5731      1.00000
     10     -19.5634      1.00000
     11     -19.5593      1.00000
     12     -19.5401      1.00000
     13     -19.5362      1.00000
     14     -18.7275      1.00000
     15     -18.6818      1.00000
     16     -18.6708      1.00000
     17     -18.6572      1.00000
     18     -18.6426      1.00000
     19     -18.6418      1.00000
     20     -16.5841      1.00000
     21     -16.5299      1.00000
     22     -16.5245      1.00000
     23     -16.5084      1.00000
     24     -16.4880      1.00000
     25     -16.4837      1.00000
     26     -15.5595      1.00000
     27     -15.5253      1.00000
     28     -15.5247      1.00000
     29     -15.4991      1.00000
     30     -15.4956      1.00000
     31     -15.4882      1.00000
     32     -14.2078      1.00000
     33     -14.1808      1.00000
     34     -14.1647      1.00000
     35     -14.1627      1.00000
     36     -14.1615      1.00000
     37     -14.1490      1.00000
     38     -11.8856      1.00000
     39     -11.8081      1.00000
     40     -11.7920      1.00000
     41     -11.7913      1.00000
     42     -11.7886      1.00000
     43     -11.7831      1.00000
     44     -11.7026      1.00000
     45     -11.6999      1.00000
     46     -11.6754      1.00000
     47     -11.6570      1.00000
     48     -11.6533      1.00000
     49     -11.6517      1.00000
     50     -10.6762      1.00000
     51     -10.3298      1.00000
     52     -10.3206      1.00000
     53     -10.3052      1.00000
     54     -10.3046      1.00000
     55     -10.2898      1.00000
     56     -10.2774      1.00000
     57      -9.9303      1.00000
     58      -9.3732      1.00000
     59      -9.3585      1.00000
     60      -9.2995      1.00000
     61      -9.2920      1.00000
     62      -9.2850      1.00000
     63      -9.0959      1.00000
     64      -9.0528      1.00000
     65      -9.0465      1.00000
     66      -9.0237      1.00000
     67      -9.0117      1.00000
     68      -9.0048      1.00000
     69      -9.0042      1.00000
     70      -8.9932      1.00000
     71      -8.9870      1.00000
     72      -8.9740      1.00000
     73      -8.9615      1.00000
     74      -8.9539      1.00000
     75      -8.5093      1.00000
     76      -7.5112      1.00000
     77      -7.4138      1.00000
     78      -7.4080      1.00000
     79      -7.4023      1.00000
     80      -7.3860      1.00000
     81      -7.3677      1.00000
     82      -7.3411      1.00000
     83      -7.3043      1.00000
     84      -7.2695      1.00000
     85      -7.2067      1.00000
     86      -7.1794      1.00000
     87      -7.1792      1.00000
     88      -7.0727      1.00000
     89      -6.5113      1.00000
     90      -6.4602      1.00000
     91      -6.3539      1.00000
     92      -6.2921      1.00000
     93      -6.2894      1.00000
     94      -6.2857      1.00000
     95      -5.9034      1.00000
     96      -5.8782      1.00000
     97      -5.0528      1.00000
     98      -4.9361      1.00000
     99      -4.5394      1.00000
    100      -4.3389      1.00000
    101      -4.3189      1.00000
    102      -4.3161      1.00000
    103      -4.1154      1.00000
    104      -3.9126      1.00000
    105      -3.9032      1.00000
    106      -3.8354      1.00000
    107      -1.6801      0.00000
    108      -1.6690      0.00000
    109      -1.5365      0.00000
    110      -1.5365      0.00000
    111      -1.5214      0.00000
    112      -1.5088      0.00000
    113      -0.5805      0.00000
    114       0.1311      0.00000
    115       0.2066      0.00000
    116       0.3211      0.00000
    117       0.3287      0.00000
    118       0.3353      0.00000
    119       0.4992      0.00000
    120       0.5936      0.00000
    121       1.2591      0.00000
    122       1.2718      0.00000
    123       1.5236      0.00000
    124       1.7950      0.00000
    125       1.8011      0.00000
    126       1.8054      0.00000
    127       1.8090      0.00000
    128       1.9452      0.00000
    129       1.9778      0.00000
    130       2.0323      0.00000
    131       2.0453      0.00000
    132       2.0501      0.00000
    133       2.0544      0.00000
    134       2.0590      0.00000
    135       2.3039      0.00000
    136       2.3241      0.00000
    137       2.6056      0.00000
    138       2.6153      0.00000
    139       2.6403      0.00000
    140       2.7218      0.00000
    141       2.8596      0.00000
    142       3.0253      0.00000
    143       3.0571      0.00000
    144       3.0783      0.00000
    145       3.0960      0.00000
    146       3.0982      0.00000
    147       3.1042      0.00000
    148       3.2277      0.00000
    149       3.4483      0.00000
    150       3.5381      0.00000
    151       3.7866      0.00000
    152       3.9372      0.00000
    153       3.9397      0.00000
    154       3.9562      0.00000
    155       3.9578      0.00000
    156       3.9981      0.00000
    157       4.1774      0.00000
    158       4.2652      0.00000
    159       4.2851      0.00000
    160       4.2860      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3196      1.00000
      2     -21.7609      1.00000
      3     -21.5705      1.00000
      4     -21.5376      1.00000
      5     -21.2076      1.00000
      6     -21.1625      1.00000
      7     -20.9864      1.00000
      8     -20.1012      1.00000
      9     -20.0569      1.00000
     10     -19.5470      1.00000
     11     -19.5221      1.00000
     12     -19.3478      1.00000
     13     -19.0241      1.00000
     14     -18.9907      1.00000
     15     -18.9806      1.00000
     16     -18.9686      1.00000
     17     -18.2976      1.00000
     18     -18.2784      1.00000
     19     -17.9502      1.00000
     20     -17.0082      1.00000
     21     -16.9580      1.00000
     22     -16.8758      1.00000
     23     -16.8715      1.00000
     24     -16.4053      1.00000
     25     -16.3926      1.00000
     26     -15.5536      1.00000
     27     -15.5359      1.00000
     28     -15.1978      1.00000
     29     -15.1673      1.00000
     30     -15.1128      1.00000
     31     -15.0260      1.00000
     32     -15.0019      1.00000
     33     -14.6383      1.00000
     34     -14.6244      1.00000
     35     -13.6693      1.00000
     36     -13.6515      1.00000
     37     -13.1671      1.00000
     38     -12.5495      1.00000
     39     -12.5176      1.00000
     40     -12.3912      1.00000
     41     -12.3749      1.00000
     42     -12.0579      1.00000
     43     -12.0340      1.00000
     44     -11.6622      1.00000
     45     -11.6199      1.00000
     46     -11.1834      1.00000
     47     -11.1560      1.00000
     48     -10.9659      1.00000
     49     -10.9364      1.00000
     50     -10.8753      1.00000
     51     -10.8386      1.00000
     52     -10.6040      1.00000
     53     -10.0962      1.00000
     54     -10.0837      1.00000
     55     -10.0462      1.00000
     56      -9.9701      1.00000
     57      -9.6555      1.00000
     58      -9.6259      1.00000
     59      -9.5924      1.00000
     60      -9.5284      1.00000
     61      -9.5157      1.00000
     62      -9.4777      1.00000
     63      -9.2654      1.00000
     64      -9.2376      1.00000
     65      -9.2205      1.00000
     66      -9.1698      1.00000
     67      -9.0678      1.00000
     68      -9.0462      1.00000
     69      -9.0378      1.00000
     70      -8.8828      1.00000
     71      -8.8101      1.00000
     72      -8.5833      1.00000
     73      -8.5212      1.00000
     74      -8.4677      1.00000
     75      -8.0320      1.00000
     76      -7.8130      1.00000
     77      -7.8067      1.00000
     78      -7.7958      1.00000
     79      -7.7005      1.00000
     80      -7.6870      1.00000
     81      -7.3613      1.00000
     82      -7.2730      1.00000
     83      -7.2658      1.00000
     84      -7.2145      1.00000
     85      -7.1720      1.00000
     86      -7.0073      1.00000
     87      -6.9507      1.00000
     88      -6.7481      1.00000
     89      -6.6724      1.00000
     90      -6.5937      1.00000
     91      -6.5583      1.00000
     92      -6.0512      1.00000
     93      -6.0470      1.00000
     94      -6.0216      1.00000
     95      -5.9594      1.00000
     96      -5.7350      1.00000
     97      -5.1594      1.00000
     98      -4.9893      1.00000
     99      -4.7176      1.00000
    100      -4.6105      1.00000
    101      -4.4410      1.00000
    102      -4.3736      1.00000
    103      -4.1226      1.00000
    104      -3.8682      1.00000
    105      -3.8352      1.00000
    106      -3.7922      1.00000
    107      -1.7856      0.00000
    108      -1.7378      0.00000
    109      -1.3931      0.00000
    110      -1.3478      0.00000
    111      -1.2637      0.00000
    112      -1.2256      0.00000
    113      -0.7422      0.00000
    114      -0.3767      0.00000
    115      -0.2236      0.00000
    116      -0.0153      0.00000
    117       0.5883      0.00000
    118       0.7343      0.00000
    119       0.7642      0.00000
    120       1.0503      0.00000
    121       1.1415      0.00000
    122       1.2511      0.00000
    123       1.2712      0.00000
    124       1.4134      0.00000
    125       1.4772      0.00000
    126       1.5826      0.00000
    127       1.7564      0.00000
    128       1.8386      0.00000
    129       1.8946      0.00000
    130       1.9586      0.00000
    131       2.1062      0.00000
    132       2.2321      0.00000
    133       2.2472      0.00000
    134       2.2917      0.00000
    135       2.4856      0.00000
    136       2.6118      0.00000
    137       2.6357      0.00000
    138       2.7627      0.00000
    139       2.7958      0.00000
    140       2.8564      0.00000
    141       2.8665      0.00000
    142       2.8917      0.00000
    143       2.9578      0.00000
    144       3.0776      0.00000
    145       3.2789      0.00000
    146       3.3006      0.00000
    147       3.3747      0.00000
    148       3.4078      0.00000
    149       3.4633      0.00000
    150       3.5842      0.00000
    151       3.6373      0.00000
    152       3.6699      0.00000
    153       3.7048      0.00000
    154       3.9021      0.00000
    155       3.9383      0.00000
    156       3.9790      0.00000
    157       4.0800      0.00000
    158       4.1991      0.00000
    159       4.2407      0.00000
    160       4.2941      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2139      1.00000
      2     -22.0075      1.00000
      3     -21.6493      1.00000
      4     -21.6120      1.00000
      5     -20.9128      1.00000
      6     -20.8662      1.00000
      7     -20.5454      1.00000
      8     -20.5052      1.00000
      9     -20.4956      1.00000
     10     -19.9625      1.00000
     11     -19.4431      1.00000
     12     -19.4159      1.00000
     13     -19.2423      1.00000
     14     -19.2276      1.00000
     15     -18.3831      1.00000
     16     -18.3387      1.00000
     17     -17.8598      1.00000
     18     -17.8395      1.00000
     19     -17.6968      1.00000
     20     -17.6538      1.00000
     21     -17.3713      1.00000
     22     -17.3570      1.00000
     23     -17.2721      1.00000
     24     -16.4029      1.00000
     25     -16.3883      1.00000
     26     -15.8951      1.00000
     27     -15.3550      1.00000
     28     -15.3371      1.00000
     29     -15.0373      1.00000
     30     -15.0206      1.00000
     31     -14.7989      1.00000
     32     -14.7731      1.00000
     33     -14.2200      1.00000
     34     -14.1888      1.00000
     35     -13.3690      1.00000
     36     -13.3365      1.00000
     37     -13.1214      1.00000
     38     -13.1019      1.00000
     39     -12.9158      1.00000
     40     -12.9013      1.00000
     41     -12.5580      1.00000
     42     -12.5382      1.00000
     43     -12.1305      1.00000
     44     -11.5248      1.00000
     45     -11.4767      1.00000
     46     -11.2559      1.00000
     47     -11.2224      1.00000
     48     -11.0770      1.00000
     49     -10.6633      1.00000
     50     -10.5884      1.00000
     51     -10.5255      1.00000
     52     -10.2546      1.00000
     53     -10.2478      1.00000
     54     -10.1238      1.00000
     55     -10.0505      1.00000
     56     -10.0414      1.00000
     57      -9.7717      1.00000
     58      -9.6983      1.00000
     59      -9.6831      1.00000
     60      -9.6341      1.00000
     61      -9.6187      1.00000
     62      -9.5877      1.00000
     63      -9.2969      1.00000
     64      -9.2798      1.00000
     65      -9.2576      1.00000
     66      -9.0923      1.00000
     67      -8.8918      1.00000
     68      -8.8852      1.00000
     69      -8.7248      1.00000
     70      -8.5915      1.00000
     71      -8.5179      1.00000
     72      -8.3302      1.00000
     73      -8.3027      1.00000
     74      -8.2650      1.00000
     75      -8.2314      1.00000
     76      -8.1955      1.00000
     77      -8.1864      1.00000
     78      -8.1737      1.00000
     79      -8.1072      1.00000
     80      -7.6883      1.00000
     81      -7.3540      1.00000
     82      -7.3102      1.00000
     83      -7.2626      1.00000
     84      -7.1856      1.00000
     85      -7.1243      1.00000
     86      -7.0769      1.00000
     87      -6.9081      1.00000
     88      -6.8826      1.00000
     89      -6.5526      1.00000
     90      -6.4895      1.00000
     91      -6.2127      1.00000
     92      -6.0703      1.00000
     93      -5.9412      1.00000
     94      -5.7171      1.00000
     95      -5.6319      1.00000
     96      -5.4520      1.00000
     97      -5.3058      1.00000
     98      -5.2323      1.00000
     99      -5.1527      1.00000
    100      -5.1500      1.00000
    101      -4.5251      1.00000
    102      -4.4707      1.00000
    103      -4.1437      1.00000
    104      -3.8383      1.00000
    105      -3.7580      1.00000
    106      -3.6807      1.00000
    107      -1.8709      0.00000
    108      -1.8232      0.00000
    109      -1.2746      0.00000
    110      -1.0387      0.00000
    111      -1.0107      0.00000
    112      -0.7104      0.00000
    113      -0.6424      0.00000
    114      -0.5879      0.00000
    115      -0.5458      0.00000
    116      -0.1982      0.00000
    117       0.2533      0.00000
    118       0.2788      0.00000
    119       0.7589      0.00000
    120       0.9445      0.00000
    121       1.1299      0.00000
    122       1.2260      0.00000
    123       1.3200      0.00000
    124       1.4107      0.00000
    125       1.5981      0.00000
    126       1.6327      0.00000
    127       1.6975      0.00000
    128       1.8250      0.00000
    129       1.9164      0.00000
    130       2.0075      0.00000
    131       2.1052      0.00000
    132       2.3306      0.00000
    133       2.3963      0.00000
    134       2.4298      0.00000
    135       2.5387      0.00000
    136       2.6331      0.00000
    137       2.7558      0.00000
    138       2.8203      0.00000
    139       2.8304      0.00000
    140       2.8870      0.00000
    141       3.0401      0.00000
    142       3.0879      0.00000
    143       3.1826      0.00000
    144       3.2365      0.00000
    145       3.3829      0.00000
    146       3.4209      0.00000
    147       3.4781      0.00000
    148       3.5735      0.00000
    149       3.5976      0.00000
    150       3.6250      0.00000
    151       3.6502      0.00000
    152       3.7410      0.00000
    153       3.7702      0.00000
    154       3.7837      0.00000
    155       3.8057      0.00000
    156       3.8937      0.00000
    157       3.9728      0.00000
    158       4.0044      0.00000
    159       4.1713      0.00000
    160       4.2388      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2477      1.00000
      2     -21.8934      1.00000
      3     -21.8227      1.00000
      4     -21.3119      1.00000
      5     -21.2817      1.00000
      6     -20.7694      1.00000
      7     -20.7035      1.00000
      8     -20.5547      1.00000
      9     -20.0095      1.00000
     10     -20.0025      1.00000
     11     -19.6469      1.00000
     12     -19.6227      1.00000
     13     -18.9294      1.00000
     14     -18.9214      1.00000
     15     -18.5728      1.00000
     16     -18.5586      1.00000
     17     -18.3909      1.00000
     18     -17.6123      1.00000
     19     -17.5562      1.00000
     20     -17.5506      1.00000
     21     -17.5086      1.00000
     22     -17.0569      1.00000
     23     -17.0388      1.00000
     24     -16.8955      1.00000
     25     -15.9331      1.00000
     26     -15.8688      1.00000
     27     -15.5152      1.00000
     28     -15.5139      1.00000
     29     -15.2275      1.00000
     30     -14.7947      1.00000
     31     -14.7671      1.00000
     32     -14.5120      1.00000
     33     -14.4674      1.00000
     34     -14.1057      1.00000
     35     -14.0945      1.00000
     36     -13.0771      1.00000
     37     -13.0295      1.00000
     38     -12.9628      1.00000
     39     -12.9507      1.00000
     40     -12.6418      1.00000
     41     -12.6356      1.00000
     42     -12.2763      1.00000
     43     -12.2448      1.00000
     44     -11.5919      1.00000
     45     -11.5652      1.00000
     46     -11.5081      1.00000
     47     -10.9079      1.00000
     48     -10.8537      1.00000
     49     -10.6229      1.00000
     50     -10.5567      1.00000
     51     -10.4832      1.00000
     52     -10.4372      1.00000
     53     -10.4266      1.00000
     54     -10.3695      1.00000
     55     -10.2859      1.00000
     56     -10.0661      1.00000
     57      -9.8329      1.00000
     58      -9.5405      1.00000
     59      -9.4796      1.00000
     60      -9.4743      1.00000
     61      -9.3502      1.00000
     62      -9.3318      1.00000
     63      -9.3037      1.00000
     64      -9.3036      1.00000
     65      -9.2148      1.00000
     66      -9.1160      1.00000
     67      -9.0859      1.00000
     68      -9.0518      1.00000
     69      -8.8518      1.00000
     70      -8.7974      1.00000
     71      -8.7777      1.00000
     72      -8.5261      1.00000
     73      -8.4762      1.00000
     74      -8.2257      1.00000
     75      -8.1137      1.00000
     76      -8.1026      1.00000
     77      -7.8084      1.00000
     78      -7.7795      1.00000
     79      -7.7756      1.00000
     80      -7.6750      1.00000
     81      -7.6290      1.00000
     82      -7.6290      1.00000
     83      -7.3995      1.00000
     84      -7.3241      1.00000
     85      -7.1978      1.00000
     86      -6.8409      1.00000
     87      -6.8320      1.00000
     88      -6.6634      1.00000
     89      -6.5385      1.00000
     90      -6.3404      1.00000
     91      -6.3076      1.00000
     92      -6.1862      1.00000
     93      -6.1528      1.00000
     94      -5.9757      1.00000
     95      -5.5706      1.00000
     96      -5.4245      1.00000
     97      -5.2567      1.00000
     98      -5.2539      1.00000
     99      -5.1472      1.00000
    100      -4.6971      1.00000
    101      -4.6645      1.00000
    102      -4.3494      1.00000
    103      -4.3175      1.00000
    104      -3.9651      1.00000
    105      -3.8318      1.00000
    106      -3.3911      1.00000
    107      -2.2197      0.00000
    108      -1.3772      0.00000
    109      -1.2865      0.00000
    110      -1.1722      0.00000
    111      -1.0765      0.00000
    112      -0.8926      0.00000
    113      -0.7674      0.00000
    114      -0.7564      0.00000
    115      -0.2134      0.00000
    116       0.1105      0.00000
    117       0.2604      0.00000
    118       0.3458      0.00000
    119       0.7325      0.00000
    120       0.9043      0.00000
    121       0.9726      0.00000
    122       1.0938      0.00000
    123       1.2075      0.00000
    124       1.5283      0.00000
    125       1.5586      0.00000
    126       1.7146      0.00000
    127       1.8398      0.00000
    128       1.8639      0.00000
    129       1.9674      0.00000
    130       1.9940      0.00000
    131       2.1578      0.00000
    132       2.2643      0.00000
    133       2.4519      0.00000
    134       2.4693      0.00000
    135       2.5070      0.00000
    136       2.6633      0.00000
    137       2.6839      0.00000
    138       2.7307      0.00000
    139       2.7433      0.00000
    140       2.8884      0.00000
    141       3.0211      0.00000
    142       3.0794      0.00000
    143       3.1935      0.00000
    144       3.2536      0.00000
    145       3.2569      0.00000
    146       3.2663      0.00000
    147       3.3579      0.00000
    148       3.4778      0.00000
    149       3.5262      0.00000
    150       3.6948      0.00000
    151       3.7503      0.00000
    152       3.7708      0.00000
    153       3.8315      0.00000
    154       3.8762      0.00000
    155       3.9388      0.00000
    156       3.9824      0.00000
    157       4.0241      0.00000
    158       4.0492      0.00000
    159       4.0541      0.00000
    160       4.1225      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1417      1.00000
      2     -22.0464      1.00000
      3     -21.8865      1.00000
      4     -21.3347      1.00000
      5     -20.9814      1.00000
      6     -20.9427      1.00000
      7     -20.4332      1.00000
      8     -20.3904      1.00000
      9     -20.2256      1.00000
     10     -20.2042      1.00000
     11     -19.8895      1.00000
     12     -19.8219      1.00000
     13     -18.8157      1.00000
     14     -18.7446      1.00000
     15     -18.2887      1.00000
     16     -18.2353      1.00000
     17     -18.0854      1.00000
     18     -18.0658      1.00000
     19     -17.7603      1.00000
     20     -17.7182      1.00000
     21     -17.1870      1.00000
     22     -17.1732      1.00000
     23     -17.0972      1.00000
     24     -17.0651      1.00000
     25     -16.0367      1.00000
     26     -15.8246      1.00000
     27     -15.7993      1.00000
     28     -15.7665      1.00000
     29     -15.1722      1.00000
     30     -14.4933      1.00000
     31     -14.4593      1.00000
     32     -14.2168      1.00000
     33     -13.8922      1.00000
     34     -13.8894      1.00000
     35     -13.7542      1.00000
     36     -13.7365      1.00000
     37     -13.5519      1.00000
     38     -13.5030      1.00000
     39     -13.2993      1.00000
     40     -12.5634      1.00000
     41     -12.1266      1.00000
     42     -12.0661      1.00000
     43     -12.0115      1.00000
     44     -11.9529      1.00000
     45     -11.6083      1.00000
     46     -11.5854      1.00000
     47     -11.0885      1.00000
     48     -11.0525      1.00000
     49     -10.7567      1.00000
     50     -10.6673      1.00000
     51     -10.5286      1.00000
     52     -10.1444      1.00000
     53     -10.1387      1.00000
     54     -10.0953      1.00000
     55      -9.9543      1.00000
     56      -9.9445      1.00000
     57      -9.9162      1.00000
     58      -9.7416      1.00000
     59      -9.7230      1.00000
     60      -9.7037      1.00000
     61      -9.6888      1.00000
     62      -9.4328      1.00000
     63      -9.3662      1.00000
     64      -9.0890      1.00000
     65      -9.0030      1.00000
     66      -8.9751      1.00000
     67      -8.8891      1.00000
     68      -8.8107      1.00000
     69      -8.6590      1.00000
     70      -8.6300      1.00000
     71      -8.5822      1.00000
     72      -8.4814      1.00000
     73      -8.4716      1.00000
     74      -8.3994      1.00000
     75      -8.3921      1.00000
     76      -8.1839      1.00000
     77      -8.1160      1.00000
     78      -7.9763      1.00000
     79      -7.9169      1.00000
     80      -7.8453      1.00000
     81      -7.6198      1.00000
     82      -7.5308      1.00000
     83      -7.4710      1.00000
     84      -7.2541      1.00000
     85      -6.9325      1.00000
     86      -6.8549      1.00000
     87      -6.8087      1.00000
     88      -6.5766      1.00000
     89      -6.4693      1.00000
     90      -6.4228      1.00000
     91      -6.3570      1.00000
     92      -6.0524      1.00000
     93      -5.8777      1.00000
     94      -5.7536      1.00000
     95      -5.7200      1.00000
     96      -5.4777      1.00000
     97      -5.3456      1.00000
     98      -5.1795      1.00000
     99      -5.1553      1.00000
    100      -5.1542      1.00000
    101      -4.7089      1.00000
    102      -4.4410      1.00000
    103      -4.2576      1.00000
    104      -3.9966      1.00000
    105      -3.8306      1.00000
    106      -3.1566      1.00000
    107      -2.4625      0.00000
    108      -1.3764      0.00000
    109      -1.2428      0.00000
    110      -1.1452      0.00000
    111      -1.1152      0.00000
    112      -0.5611      0.00000
    113      -0.4348      0.00000
    114      -0.4288      0.00000
    115      -0.3124      0.00000
    116      -0.1888      0.00000
    117       0.0628      0.00000
    118       0.1190      0.00000
    119       0.5389      0.00000
    120       0.6844      0.00000
    121       0.8699      0.00000
    122       0.9667      0.00000
    123       1.1093      0.00000
    124       1.4941      0.00000
    125       1.6608      0.00000
    126       1.7967      0.00000
    127       1.8735      0.00000
    128       2.0893      0.00000
    129       2.1357      0.00000
    130       2.1957      0.00000
    131       2.2149      0.00000
    132       2.3395      0.00000
    133       2.3620      0.00000
    134       2.4874      0.00000
    135       2.5810      0.00000
    136       2.6659      0.00000
    137       2.8780      0.00000
    138       2.9391      0.00000
    139       2.9651      0.00000
    140       2.9875      0.00000
    141       3.0415      0.00000
    142       3.1478      0.00000
    143       3.1821      0.00000
    144       3.2440      0.00000
    145       3.2897      0.00000
    146       3.3306      0.00000
    147       3.3467      0.00000
    148       3.3782      0.00000
    149       3.4047      0.00000
    150       3.4936      0.00000
    151       3.5488      0.00000
    152       3.6284      0.00000
    153       3.6940      0.00000
    154       3.7062      0.00000
    155       3.7235      0.00000
    156       3.9173      0.00000
    157       3.9336      0.00000
    158       4.0547      0.00000
    159       4.0860      0.00000
    160       4.1964      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2476      1.00000
      2     -21.8949      1.00000
      3     -21.8212      1.00000
      4     -21.3158      1.00000
      5     -21.2768      1.00000
      6     -20.7716      1.00000
      7     -20.7026      1.00000
      8     -20.5549      1.00000
      9     -20.0220      1.00000
     10     -19.9895      1.00000
     11     -19.6503      1.00000
     12     -19.6192      1.00000
     13     -18.9429      1.00000
     14     -18.9081      1.00000
     15     -18.5826      1.00000
     16     -18.5451      1.00000
     17     -18.3932      1.00000
     18     -17.6020      1.00000
     19     -17.5734      1.00000
     20     -17.5415      1.00000
     21     -17.5096      1.00000
     22     -17.0735      1.00000
     23     -17.0269      1.00000
     24     -16.8977      1.00000
     25     -15.9434      1.00000
     26     -15.8500      1.00000
     27     -15.5345      1.00000
     28     -15.5061      1.00000
     29     -15.2095      1.00000
     30     -14.8140      1.00000
     31     -14.7605      1.00000
     32     -14.5110      1.00000
     33     -14.4692      1.00000
     34     -14.0930      1.00000
     35     -14.0919      1.00000
     36     -13.1047      1.00000
     37     -13.0307      1.00000
     38     -12.9596      1.00000
     39     -12.9499      1.00000
     40     -12.6581      1.00000
     41     -12.6279      1.00000
     42     -12.2739      1.00000
     43     -12.2445      1.00000
     44     -11.5703      1.00000
     45     -11.5517      1.00000
     46     -11.4996      1.00000
     47     -10.8818      1.00000
     48     -10.8625      1.00000
     49     -10.6855      1.00000
     50     -10.5297      1.00000
     51     -10.5176      1.00000
     52     -10.4295      1.00000
     53     -10.4155      1.00000
     54     -10.3704      1.00000
     55     -10.2914      1.00000
     56     -10.0615      1.00000
     57      -9.8317      1.00000
     58      -9.5629      1.00000
     59      -9.4883      1.00000
     60      -9.4474      1.00000
     61      -9.3477      1.00000
     62      -9.3430      1.00000
     63      -9.3110      1.00000
     64      -9.3040      1.00000
     65      -9.2053      1.00000
     66      -9.0970      1.00000
     67      -9.0656      1.00000
     68      -9.0477      1.00000
     69      -8.8550      1.00000
     70      -8.7887      1.00000
     71      -8.7810      1.00000
     72      -8.5276      1.00000
     73      -8.4986      1.00000
     74      -8.2316      1.00000
     75      -8.1260      1.00000
     76      -8.0932      1.00000
     77      -7.8087      1.00000
     78      -7.7698      1.00000
     79      -7.7392      1.00000
     80      -7.7043      1.00000
     81      -7.6406      1.00000
     82      -7.6217      1.00000
     83      -7.3873      1.00000
     84      -7.3452      1.00000
     85      -7.2172      1.00000
     86      -6.8454      1.00000
     87      -6.8159      1.00000
     88      -6.6414      1.00000
     89      -6.5282      1.00000
     90      -6.3445      1.00000
     91      -6.2716      1.00000
     92      -6.1946      1.00000
     93      -6.1286      1.00000
     94      -6.0222      1.00000
     95      -5.6400      1.00000
     96      -5.5077      1.00000
     97      -5.2988      1.00000
     98      -5.1567      1.00000
     99      -5.0390      1.00000
    100      -4.7281      1.00000
    101      -4.6841      1.00000
    102      -4.3671      1.00000
    103      -4.1874      1.00000
    104      -4.0097      1.00000
    105      -3.8301      1.00000
    106      -3.4830      1.00000
    107      -2.1645      0.00000
    108      -1.3813      0.00000
    109      -1.2363      0.00000
    110      -1.1849      0.00000
    111      -1.0123      0.00000
    112      -0.9584      0.00000
    113      -0.7980      0.00000
    114      -0.7523      0.00000
    115      -0.3613      0.00000
    116       0.2462      0.00000
    117       0.2779      0.00000
    118       0.3658      0.00000
    119       0.6986      0.00000
    120       0.8676      0.00000
    121       0.9657      0.00000
    122       1.1250      0.00000
    123       1.2344      0.00000
    124       1.4548      0.00000
    125       1.5515      0.00000
    126       1.7809      0.00000
    127       1.8495      0.00000
    128       1.8835      0.00000
    129       1.9820      0.00000
    130       2.0286      0.00000
    131       2.1971      0.00000
    132       2.2089      0.00000
    133       2.3995      0.00000
    134       2.4502      0.00000
    135       2.5571      0.00000
    136       2.6586      0.00000
    137       2.6857      0.00000
    138       2.7257      0.00000
    139       2.7655      0.00000
    140       2.8531      0.00000
    141       2.9639      0.00000
    142       3.0780      0.00000
    143       3.1905      0.00000
    144       3.2384      0.00000
    145       3.2542      0.00000
    146       3.2927      0.00000
    147       3.3270      0.00000
    148       3.4797      0.00000
    149       3.5042      0.00000
    150       3.7080      0.00000
    151       3.7192      0.00000
    152       3.7686      0.00000
    153       3.8587      0.00000
    154       3.8734      0.00000
    155       3.8960      0.00000
    156       3.9958      0.00000
    157       3.9974      0.00000
    158       4.0487      0.00000
    159       4.0666      0.00000
    160       4.1098      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3195      1.00000
      2     -21.7617      1.00000
      3     -21.5674      1.00000
      4     -21.5397      1.00000
      5     -21.2049      1.00000
      6     -21.1655      1.00000
      7     -20.9863      1.00000
      8     -20.0993      1.00000
      9     -20.0600      1.00000
     10     -19.5442      1.00000
     11     -19.5242      1.00000
     12     -19.3466      1.00000
     13     -19.0283      1.00000
     14     -18.9871      1.00000
     15     -18.9769      1.00000
     16     -18.9722      1.00000
     17     -18.2946      1.00000
     18     -18.2813      1.00000
     19     -17.9493      1.00000
     20     -17.0032      1.00000
     21     -16.9620      1.00000
     22     -16.8821      1.00000
     23     -16.8690      1.00000
     24     -16.4127      1.00000
     25     -16.3895      1.00000
     26     -15.5385      1.00000
     27     -15.5350      1.00000
     28     -15.1742      1.00000
     29     -15.1724      1.00000
     30     -15.1343      1.00000
     31     -15.0386      1.00000
     32     -15.0030      1.00000
     33     -14.6310      1.00000
     34     -14.6236      1.00000
     35     -13.6612      1.00000
     36     -13.6509      1.00000
     37     -13.1758      1.00000
     38     -12.5752      1.00000
     39     -12.5148      1.00000
     40     -12.3879      1.00000
     41     -12.3872      1.00000
     42     -12.0353      1.00000
     43     -12.0307      1.00000
     44     -11.6490      1.00000
     45     -11.6084      1.00000
     46     -11.2056      1.00000
     47     -11.1552      1.00000
     48     -10.9586      1.00000
     49     -10.9459      1.00000
     50     -10.8572      1.00000
     51     -10.8247      1.00000
     52     -10.6271      1.00000
     53     -10.1497      1.00000
     54     -10.0859      1.00000
     55     -10.0294      1.00000
     56      -9.9483      1.00000
     57      -9.6324      1.00000
     58      -9.6312      1.00000
     59      -9.6037      1.00000
     60      -9.5388      1.00000
     61      -9.4997      1.00000
     62      -9.4769      1.00000
     63      -9.2755      1.00000
     64      -9.2398      1.00000
     65      -9.2097      1.00000
     66      -9.1711      1.00000
     67      -9.0620      1.00000
     68      -9.0507      1.00000
     69      -9.0466      1.00000
     70      -8.8777      1.00000
     71      -8.8001      1.00000
     72      -8.5393      1.00000
     73      -8.5300      1.00000
     74      -8.5032      1.00000
     75      -8.0376      1.00000
     76      -7.8281      1.00000
     77      -7.8031      1.00000
     78      -7.7712      1.00000
     79      -7.7069      1.00000
     80      -7.6879      1.00000
     81      -7.4113      1.00000
     82      -7.2907      1.00000
     83      -7.2551      1.00000
     84      -7.2021      1.00000
     85      -7.0841      1.00000
     86      -7.0729      1.00000
     87      -6.9307      1.00000
     88      -6.7128      1.00000
     89      -6.6736      1.00000
     90      -6.6278      1.00000
     91      -6.5577      1.00000
     92      -6.0755      1.00000
     93      -6.0336      1.00000
     94      -5.9980      1.00000
     95      -5.9328      1.00000
     96      -5.8030      1.00000
     97      -5.1835      1.00000
     98      -4.8959      1.00000
     99      -4.7933      1.00000
    100      -4.6121      1.00000
    101      -4.5118      1.00000
    102      -4.1392      1.00000
    103      -4.0938      1.00000
    104      -3.9301      1.00000
    105      -3.9157      1.00000
    106      -3.8292      1.00000
    107      -1.7517      0.00000
    108      -1.6959      0.00000
    109      -1.4086      0.00000
    110      -1.3719      0.00000
    111      -1.2635      0.00000
    112      -1.2373      0.00000
    113      -0.6195      0.00000
    114      -0.6018      0.00000
    115      -0.1886      0.00000
    116       0.0460      0.00000
    117       0.5824      0.00000
    118       0.7411      0.00000
    119       0.8521      0.00000
    120       0.9276      0.00000
    121       1.1665      0.00000
    122       1.2087      0.00000
    123       1.2449      0.00000
    124       1.4162      0.00000
    125       1.5978      0.00000
    126       1.6357      0.00000
    127       1.7032      0.00000
    128       1.8053      0.00000
    129       1.9231      0.00000
    130       1.9409      0.00000
    131       2.1467      0.00000
    132       2.1706      0.00000
    133       2.2587      0.00000
    134       2.2963      0.00000
    135       2.5405      0.00000
    136       2.5559      0.00000
    137       2.6345      0.00000
    138       2.7586      0.00000
    139       2.8047      0.00000
    140       2.8484      0.00000
    141       2.8932      0.00000
    142       2.9454      0.00000
    143       3.0123      0.00000
    144       3.0249      0.00000
    145       3.0791      0.00000
    146       3.3076      0.00000
    147       3.3720      0.00000
    148       3.4174      0.00000
    149       3.4769      0.00000
    150       3.5956      0.00000
    151       3.6562      0.00000
    152       3.6629      0.00000
    153       3.6783      0.00000
    154       3.8918      0.00000
    155       3.9739      0.00000
    156       4.0252      0.00000
    157       4.0683      0.00000
    158       4.2340      0.00000
    159       4.2554      0.00000
    160       4.2638      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1409      1.00000
      2     -22.0481      1.00000
      3     -21.8856      1.00000
      4     -21.3346      1.00000
      5     -20.9768      1.00000
      6     -20.9475      1.00000
      7     -20.4278      1.00000
      8     -20.3959      1.00000
      9     -20.2169      1.00000
     10     -20.2156      1.00000
     11     -19.8863      1.00000
     12     -19.8224      1.00000
     13     -18.8155      1.00000
     14     -18.7445      1.00000
     15     -18.2680      1.00000
     16     -18.2537      1.00000
     17     -18.0798      1.00000
     18     -18.0736      1.00000
     19     -17.7477      1.00000
     20     -17.7316      1.00000
     21     -17.1931      1.00000
     22     -17.1701      1.00000
     23     -17.0934      1.00000
     24     -17.0644      1.00000
     25     -16.0557      1.00000
     26     -15.8065      1.00000
     27     -15.7970      1.00000
     28     -15.7738      1.00000
     29     -15.1622      1.00000
     30     -14.4823      1.00000
     31     -14.4608      1.00000
     32     -14.2063      1.00000
     33     -13.9200      1.00000
     34     -13.8901      1.00000
     35     -13.7602      1.00000
     36     -13.7397      1.00000
     37     -13.5358      1.00000
     38     -13.5097      1.00000
     39     -13.3021      1.00000
     40     -12.5781      1.00000
     41     -12.0998      1.00000
     42     -12.0755      1.00000
     43     -11.9957      1.00000
     44     -11.9475      1.00000
     45     -11.6113      1.00000
     46     -11.6036      1.00000
     47     -11.0815      1.00000
     48     -11.0578      1.00000
     49     -10.7265      1.00000
     50     -10.6576      1.00000
     51     -10.5617      1.00000
     52     -10.1441      1.00000
     53     -10.1391      1.00000
     54     -10.1009      1.00000
     55      -9.9681      1.00000
     56      -9.9282      1.00000
     57      -9.9220      1.00000
     58      -9.7535      1.00000
     59      -9.7334      1.00000
     60      -9.6981      1.00000
     61      -9.6938      1.00000
     62      -9.4024      1.00000
     63      -9.3807      1.00000
     64      -9.0714      1.00000
     65      -8.9845      1.00000
     66      -8.9843      1.00000
     67      -8.9040      1.00000
     68      -8.8116      1.00000
     69      -8.6536      1.00000
     70      -8.6382      1.00000
     71      -8.5528      1.00000
     72      -8.4954      1.00000
     73      -8.4756      1.00000
     74      -8.3949      1.00000
     75      -8.3825      1.00000
     76      -8.2101      1.00000
     77      -8.1037      1.00000
     78      -8.0084      1.00000
     79      -7.9042      1.00000
     80      -7.8471      1.00000
     81      -7.6215      1.00000
     82      -7.5318      1.00000
     83      -7.4523      1.00000
     84      -7.2509      1.00000
     85      -6.9480      1.00000
     86      -6.8742      1.00000
     87      -6.8143      1.00000
     88      -6.4760      1.00000
     89      -6.4644      1.00000
     90      -6.4036      1.00000
     91      -6.3581      1.00000
     92      -6.1942      1.00000
     93      -5.8588      1.00000
     94      -5.7378      1.00000
     95      -5.7112      1.00000
     96      -5.5259      1.00000
     97      -5.3285      1.00000
     98      -5.1743      1.00000
     99      -5.1677      1.00000
    100      -5.1332      1.00000
    101      -4.6945      1.00000
    102      -4.3474      1.00000
    103      -4.2835      1.00000
    104      -4.0297      1.00000
    105      -3.8316      1.00000
    106      -3.2313      1.00000
    107      -2.4062      0.00000
    108      -1.3426      0.00000
    109      -1.2469      0.00000
    110      -1.1533      0.00000
    111      -1.1074      0.00000
    112      -0.5793      0.00000
    113      -0.5222      0.00000
    114      -0.4342      0.00000
    115      -0.2734      0.00000
    116      -0.0689      0.00000
    117      -0.0105      0.00000
    118       0.0577      0.00000
    119       0.5835      0.00000
    120       0.7118      0.00000
    121       0.8084      0.00000
    122       0.9423      0.00000
    123       1.1819      0.00000
    124       1.5063      0.00000
    125       1.6201      0.00000
    126       1.8538      0.00000
    127       2.0014      0.00000
    128       2.0494      0.00000
    129       2.1092      0.00000
    130       2.1542      0.00000
    131       2.2601      0.00000
    132       2.2866      0.00000
    133       2.3487      0.00000
    134       2.4638      0.00000
    135       2.6103      0.00000
    136       2.6977      0.00000
    137       2.8161      0.00000
    138       2.9111      0.00000
    139       2.9395      0.00000
    140       3.0155      0.00000
    141       3.0437      0.00000
    142       3.1540      0.00000
    143       3.1646      0.00000
    144       3.2209      0.00000
    145       3.2972      0.00000
    146       3.3096      0.00000
    147       3.3513      0.00000
    148       3.3709      0.00000
    149       3.4147      0.00000
    150       3.4418      0.00000
    151       3.5549      0.00000
    152       3.6103      0.00000
    153       3.7007      0.00000
    154       3.7244      0.00000
    155       3.8439      0.00000
    156       3.9025      0.00000
    157       3.9309      0.00000
    158       3.9581      0.00000
    159       4.1392      0.00000
    160       4.1771      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2136      1.00000
      2     -22.0085      1.00000
      3     -21.6460      1.00000
      4     -21.6143      1.00000
      5     -20.9101      1.00000
      6     -20.8689      1.00000
      7     -20.5398      1.00000
      8     -20.5077      1.00000
      9     -20.4998      1.00000
     10     -19.9639      1.00000
     11     -19.4389      1.00000
     12     -19.4173      1.00000
     13     -19.2382      1.00000
     14     -19.2312      1.00000
     15     -18.3782      1.00000
     16     -18.3426      1.00000
     17     -17.8580      1.00000
     18     -17.8421      1.00000
     19     -17.6939      1.00000
     20     -17.6575      1.00000
     21     -17.3716      1.00000
     22     -17.3575      1.00000
     23     -17.2715      1.00000
     24     -16.4099      1.00000
     25     -16.3858      1.00000
     26     -15.9072      1.00000
     27     -15.3410      1.00000
     28     -15.3358      1.00000
     29     -15.0287      1.00000
     30     -15.0185      1.00000
     31     -14.7790      1.00000
     32     -14.7764      1.00000
     33     -14.2405      1.00000
     34     -14.1896      1.00000
     35     -13.3906      1.00000
     36     -13.3360      1.00000
     37     -13.1102      1.00000
     38     -13.1016      1.00000
     39     -12.9194      1.00000
     40     -12.9138      1.00000
     41     -12.5450      1.00000
     42     -12.5368      1.00000
     43     -12.1390      1.00000
     44     -11.5084      1.00000
     45     -11.4637      1.00000
     46     -11.2398      1.00000
     47     -11.2082      1.00000
     48     -11.0926      1.00000
     49     -10.7078      1.00000
     50     -10.5928      1.00000
     51     -10.5082      1.00000
     52     -10.2558      1.00000
     53     -10.2511      1.00000
     54     -10.1217      1.00000
     55     -10.0511      1.00000
     56     -10.0362      1.00000
     57      -9.7869      1.00000
     58      -9.6902      1.00000
     59      -9.6757      1.00000
     60      -9.6413      1.00000
     61      -9.6315      1.00000
     62      -9.5851      1.00000
     63      -9.2992      1.00000
     64      -9.2866      1.00000
     65      -9.2444      1.00000
     66      -9.0691      1.00000
     67      -8.8981      1.00000
     68      -8.8868      1.00000
     69      -8.7183      1.00000
     70      -8.5847      1.00000
     71      -8.5181      1.00000
     72      -8.3520      1.00000
     73      -8.3046      1.00000
     74      -8.2439      1.00000
     75      -8.2406      1.00000
     76      -8.1929      1.00000
     77      -8.1787      1.00000
     78      -8.1638      1.00000
     79      -8.1140      1.00000
     80      -7.6921      1.00000
     81      -7.4170      1.00000
     82      -7.3475      1.00000
     83      -7.2612      1.00000
     84      -7.1748      1.00000
     85      -7.1096      1.00000
     86      -7.0022      1.00000
     87      -6.9026      1.00000
     88      -6.8458      1.00000
     89      -6.5350      1.00000
     90      -6.5053      1.00000
     91      -6.2164      1.00000
     92      -6.1949      1.00000
     93      -5.8956      1.00000
     94      -5.6732      1.00000
     95      -5.6102      1.00000
     96      -5.5796      1.00000
     97      -5.2548      1.00000
     98      -5.2320      1.00000
     99      -5.1654      1.00000
    100      -5.1343      1.00000
    101      -4.5993      1.00000
    102      -4.2533      1.00000
    103      -4.0460      1.00000
    104      -3.8822      1.00000
    105      -3.8431      1.00000
    106      -3.8001      1.00000
    107      -1.8088      0.00000
    108      -1.7810      0.00000
    109      -1.2220      0.00000
    110      -1.1787      0.00000
    111      -0.9725      0.00000
    112      -0.7320      0.00000
    113      -0.6510      0.00000
    114      -0.5926      0.00000
    115      -0.5511      0.00000
    116      -0.1474      0.00000
    117       0.1752      0.00000
    118       0.2867      0.00000
    119       0.7037      0.00000
    120       0.9473      0.00000
    121       1.1687      0.00000
    122       1.2797      0.00000
    123       1.3454      0.00000
    124       1.5099      0.00000
    125       1.6072      0.00000
    126       1.6265      0.00000
    127       1.6924      0.00000
    128       1.7731      0.00000
    129       1.8572      0.00000
    130       2.0786      0.00000
    131       2.1631      0.00000
    132       2.3168      0.00000
    133       2.3894      0.00000
    134       2.4201      0.00000
    135       2.5527      0.00000
    136       2.6226      0.00000
    137       2.6841      0.00000
    138       2.7487      0.00000
    139       2.8151      0.00000
    140       2.9072      0.00000
    141       3.0518      0.00000
    142       3.0592      0.00000
    143       3.1781      0.00000
    144       3.2759      0.00000
    145       3.3754      0.00000
    146       3.4083      0.00000
    147       3.4545      0.00000
    148       3.5477      0.00000
    149       3.5681      0.00000
    150       3.6291      0.00000
    151       3.6604      0.00000
    152       3.7014      0.00000
    153       3.7833      0.00000
    154       3.7992      0.00000
    155       3.8198      0.00000
    156       3.8906      0.00000
    157       3.9013      0.00000
    158       3.9756      0.00000
    159       4.1876      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   204.0399   -7.2577    3.9854   -1.1334   -0.1857   17.3776    0.4884   -0.8137    0.7717   -0.4783
x    -3.1239   -0.0256   -0.0215   -0.0250    0.0902   -3.0533    0.0301   -0.0245    0.0084    0.0018
x    -0.0956   -0.0028    0.0035   -0.0031    0.0021   -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   204.0399    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    0.0029   -0.0981   -0.0318    0.0619    0.0184
y     0.0237   -3.2436   -0.1775    0.1699   -2.4153   -0.6649
z   204.0399    1.7470    0.2948    0.0874    0.0009    0.0704   -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    0.0987    0.0006   -0.0010   -0.0001   -0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0012   -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  -16.5945
z     0.1420    0.2363   -0.0281    0.0578   -0.0947    0.0006
 total charge-density along one line
x   212.0000  -10.0887    5.9324   -1.9423   -0.4213   19.2971   -0.6606    0.2080    0.0675   -0.1084
x    -2.7042   -0.0094    0.0007   -0.0436    0.0957   -2.3450    0.0476   -0.0346    0.0119    0.0025
x    -0.0858   -0.0053    0.0082   -0.0079    0.0054   -0.0374    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  -10.0887    5.9324   -1.9423   -0.4213   19.2971   -0.6606    0.2080    0.0675   -0.1084
y    -2.7042   -0.0094    0.0007   -0.0436    0.0957   -2.3450    0.0476   -0.0346    0.0119    0.0025
y    -0.0858   -0.0053    0.0082   -0.0079    0.0054   -0.0374    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 -205.3384  188.9483 -170.2141  154.0231 -140.2296  126.2746 -110.8079   94.5781  -78.9551
z    64.6276  -51.7182   40.4789  -31.3904   24.6253  -19.6885   15.7220  -12.1282    8.8626   -6.1895
z     4.2561   -2.9250    1.9369   -1.1392    0.5330   -0.1485   -0.0644    0.2139   -0.3664    0.5000
z    -0.5562    0.5195   -0.4364    0.3674   -0.3341    0.3153   -0.2839    0.2367   -0.1899    0.1566
z    -0.1346    0.1145   -0.0922    0.0716   -0.0576    0.0499   -0.0441    0.0370   -0.0296    0.0239
z    -0.0207    0.0185   -0.0159    0.0129   -0.0103    0.0084   -0.0068    0.0053   -0.0039    0.0028
z    -0.0020    0.0012   -0.0004   -0.0002    0.0004   -0.0004    0.0004   -0.0006    0.0007   -0.0007
z     0.0004   -0.0002    0.0001    0.0000    0.0000    0.0001   -0.0002    0.0003   -0.0003    0.0003
z    -0.0003    0.0002   -0.0002    0.0001   -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0000   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.940   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 -11.246   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 -10.937   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   0.101   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
-10.940   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 -11.246   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 -10.937   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   0.101   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  -0.027   0.000   0.002   0.021   0.000   0.057   0.000  -0.014  -0.025   0.026   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   0.018   0.044   0.000   0.358   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   0.044   0.000  -0.014   0.063   0.000   0.101   0.000  -0.024   0.190  -0.052   0.000   0.115   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   0.358   0.000  -0.035   0.101   0.000   0.568   0.000  -0.057   0.705  -0.294   0.000   0.089   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
 -0.025   0.000  -0.233   0.000   0.010   0.190   0.000   0.705   0.000  -0.108   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  -0.294   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   0.011  -0.004
 -0.001   0.000   0.096   0.000   0.003   0.115   0.000   0.089   0.000  -0.068   0.266  -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   0.011   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  -0.036   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   0.278   8.027   8.944
  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   2.647
  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   1.777   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   2.645
 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   2.646
 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   2.640
 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   1.773   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   2.647
 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   2.647
 52        0.864   1.782   0.000   2.646
 53        0.864   1.783   0.000   2.646
------------------------------------------------
tot       44.832  89.435   8.027 142.294
 


 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  115.15: CPU time   58.25
    FORLOC:  VPU time    1.25: CPU time    1.26
    FORNL :  VPU time  449.00: CPU time  225.24
    STRESS:  VPU time 1323.81: CPU time  665.98
    FORCOR:  VPU time    8.53: CPU time    8.53
    FORHAR:  VPU time    2.28: CPU time    2.28
    MIXING:  VPU time    0.17: CPU time    0.17
 d Force = 0.7881888E-04[-0.196E-03, 0.354E-03]  d Energy = 0.1187954E-03-0.400E-04
 d Force = 0.1478043E+01[ 0.148E+01, 0.148E+01]  d Ewald  =-0.1736624E+01 0.321E+01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.644676 eV

  energy  without entropy=     -471.644676  energy(sigma->0) =     -471.644676
 

  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    40726.74  40741.67 -47425.33     12.93      0.00      0.00
  Hartree  40192.74  40195.81 -39445.31      2.66      0.00      0.00
  E(xc)     -779.74   -779.56   -807.27      0.16      0.00      0.00
  Local   -83212.66 -83224.73  84188.17    -10.46      0.00      0.00
  n-local   -215.72   -215.72   -203.81     -0.25      0.00      0.00
  augment     22.10     20.54     17.34     -1.35      0.00      0.00
  Kinetic   3168.27   3171.95   3582.11     -5.28      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.56      0.11     -0.18      0.59      0.00      0.00
  in kB       -0.34      0.07     -0.11      0.36      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
    12.349427562 -0.001638985  0.000000000     0.080981620  0.046769160  0.000000000
    -6.176139826 10.694094319  0.000000000     0.000012411  0.093516723  0.000000000
     0.000000000  0.000000000 19.976868891     0.000000000  0.000000000  0.050057895

  length of vectors
    12.349427671 12.349427374 19.976868891     0.093516721  0.093516724  0.050057895


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.621E-05 -.446E-04 -.961E+03   0.434E-05 -.274E-04 0.968E+03   0.425E-21 0.148E-23 -.783E+01   0.516E-06 -.300E-06 -.177E-03
   -.175E+02 -.304E+02 -.136E+03   0.184E+02 0.318E+02 0.139E+03   -.828E+00 -.143E+01 -.259E+01   -.756E-04 -.132E-03 0.294E-03
   0.175E+02 0.304E+02 -.136E+03   -.184E+02 -.318E+02 0.139E+03   0.828E+00 0.143E+01 -.259E+01   0.757E-04 0.132E-03 0.294E-03
   -.203E+01 0.117E+01 0.178E+02   0.203E+01 -.117E+01 -.178E+02   -.127E-01 0.732E-02 -.345E-02   0.381E-04 -.249E-04 -.724E-03
   0.570E+01 0.694E+01 0.203E+02   -.571E+01 -.697E+01 -.203E+02   0.334E-02 0.346E-01 -.198E-01   -.161E-02 0.557E-04 -.893E-03
   0.112E+02 0.505E+01 0.186E+02   -.112E+02 -.505E+01 -.185E+02   0.190E-01 0.120E-01 -.548E-01   -.152E-02 -.730E-03 -.375E-03
   0.447E+01 -.983E+00 0.163E+02   -.449E+01 0.100E+01 -.163E+02   0.159E-01 -.150E-01 -.229E-02   -.952E-03 0.868E-03 -.267E-03
   -.299E+01 -.233E+01 0.154E+02   0.300E+01 0.235E+01 -.154E+02   -.177E-01 -.129E-01 0.296E-02   -.182E-03 0.126E-02 -.201E-03
   0.526E+00 0.375E+01 0.154E+02   -.537E+00 -.377E+01 -.154E+02   0.232E-02 0.218E-01 0.296E-02   -.118E-02 -.476E-03 -.204E-03
   0.267E+01 0.182E+02 0.249E+02   -.269E+01 -.183E+02 -.249E+02   0.756E-02 0.116E+00 -.602E-02   -.602E-03 -.116E-02 -.639E-03
   0.214E+02 0.227E+02 0.396E+02   -.215E+02 -.229E+02 -.396E+02   0.114E+00 0.227E+00 -.162E-01   -.736E-03 0.131E-02 -.762E-03
   0.265E+02 -.444E+01 0.264E+02   -.267E+02 0.456E+01 -.264E+02   0.232E+00 -.118E+00 -.570E-01   -.426E-03 0.947E-03 -.388E-03
   0.906E+01 -.523E+01 0.155E+02   -.908E+01 0.524E+01 -.155E+02   0.154E-01 -.892E-02 0.460E-02   -.154E-02 0.886E-03 -.222E-03
   0.309E+01 -.338E+01 0.163E+02   -.312E+01 0.339E+01 -.163E+02   0.209E-01 -.629E-02 -.229E-02   -.123E-02 0.386E-03 -.276E-03
   -.610E+01 0.132E+02 0.199E+02   0.610E+01 -.133E+02 -.199E+02   -.113E-01 0.785E-01 -.101E-01   -.235E-03 -.155E-03 -.358E-03
   -.124E+02 0.336E+02 0.454E+02   0.125E+02 -.342E+02 -.457E+02   -.924E-01 0.681E+00 0.347E+00   -.598E-03 0.134E-02 -.871E-03
   0.264E+02 -.153E+02 0.687E+02   -.274E+02 0.158E+02 -.708E+02   0.975E+00 -.563E+00 0.210E+01   -.330E-03 0.188E-03 -.163E-02
   0.171E+02 -.207E+02 0.264E+02   -.173E+02 0.208E+02 -.264E+02   0.218E+00 -.142E+00 -.570E-01   -.103E-02 -.112E-03 -.393E-03
   0.122E+01 -.122E+02 0.186E+02   -.123E+01 0.122E+02 -.185E+02   -.902E-03 -.225E-01 -.548E-01   -.127E-03 0.168E-02 -.381E-03
   -.392E+01 0.160E+01 0.145E+02   0.392E+01 -.160E+01 -.145E+02   -.106E-01 0.389E-02 -.411E-01   0.211E-03 0.648E-03 -.207E-03
   -.183E+02 0.106E+02 0.205E+02   0.183E+02 -.106E+02 -.204E+02   -.670E-01 0.387E-01 -.129E+00   -.244E-03 0.144E-03 -.201E-03
   -.353E+02 -.607E+01 0.454E+02   0.359E+02 0.633E+01 -.457E+02   -.636E+00 -.260E+00 0.347E+00   -.145E-02 -.151E-03 -.867E-03
   -.896E+01 -.299E+02 0.396E+02   0.910E+01 0.301E+02 -.396E+02   -.140E+00 -.213E+00 -.162E-01   -.150E-02 -.212E-04 -.764E-03
   -.316E+01 -.840E+01 0.203E+02   0.318E+01 0.843E+01 -.203E+02   -.283E-01 -.202E-01 -.198E-01   -.853E-03 0.137E-02 -.894E-03
   0.120E+01 -.694E+00 0.154E+02   -.121E+01 0.696E+00 -.154E+02   -.438E-02 0.253E-02 -.279E-01   -.108E-02 0.625E-03 -.258E-03
   -.335E+01 0.259E+01 0.145E+02   0.335E+01 -.259E+01 -.145E+02   -.868E-02 0.726E-02 -.411E-01   -.454E-03 -.503E-03 -.202E-03
   -.145E+02 -.132E+01 0.199E+02   0.145E+02 0.135E+01 -.199E+02   -.736E-01 -.295E-01 -.101E-01   0.188E-04 0.280E-03 -.351E-03
   -.144E+02 -.114E+02 0.249E+02   0.145E+02 0.115E+02 -.249E+02   -.969E-01 -.647E-01 -.602E-02   0.709E-03 0.110E-02 -.636E-03
   0.316E+01 0.840E+01 0.203E+02   -.318E+01 -.843E+01 -.203E+02   0.283E-01 0.202E-01 -.198E-01   0.854E-03 -.137E-02 -.894E-03
   0.144E+02 0.114E+02 0.249E+02   -.145E+02 -.115E+02 -.249E+02   0.969E-01 0.647E-01 -.602E-02   -.709E-03 -.110E-02 -.636E-03
   0.145E+02 0.132E+01 0.199E+02   -.145E+02 -.135E+01 -.199E+02   0.736E-01 0.295E-01 -.101E-01   -.190E-04 -.280E-03 -.351E-03
   0.335E+01 -.259E+01 0.145E+02   -.335E+01 0.259E+01 -.145E+02   0.868E-02 -.726E-02 -.411E-01   0.454E-03 0.503E-03 -.202E-03
   -.120E+01 0.694E+00 0.154E+02   0.121E+01 -.696E+00 -.154E+02   0.438E-02 -.253E-02 -.279E-01   0.108E-02 -.625E-03 -.258E-03
   -.122E+01 0.122E+02 0.186E+02   0.123E+01 -.122E+02 -.185E+02   0.902E-03 0.225E-01 -.548E-01   0.127E-03 -.168E-02 -.381E-03
   0.896E+01 0.299E+02 0.396E+02   -.910E+01 -.301E+02 -.396E+02   0.140E+00 0.213E+00 -.162E-01   0.150E-02 0.211E-04 -.764E-03
   0.353E+02 0.607E+01 0.454E+02   -.359E+02 -.633E+01 -.457E+02   0.636E+00 0.260E+00 0.347E+00   0.145E-02 0.151E-03 -.867E-03
   0.183E+02 -.106E+02 0.205E+02   -.183E+02 0.106E+02 -.204E+02   0.670E-01 -.387E-01 -.129E+00   0.244E-03 -.144E-03 -.201E-03
   0.392E+01 -.160E+01 0.145E+02   -.392E+01 0.160E+01 -.145E+02   0.106E-01 -.389E-02 -.411E-01   -.211E-03 -.648E-03 -.207E-03
   -.309E+01 0.338E+01 0.163E+02   0.312E+01 -.339E+01 -.163E+02   -.209E-01 0.629E-02 -.229E-02   0.123E-02 -.386E-03 -.276E-03
   -.171E+02 0.207E+02 0.264E+02   0.173E+02 -.208E+02 -.264E+02   -.218E+00 0.142E+00 -.570E-01   0.103E-02 0.112E-03 -.393E-03
   -.264E+02 0.153E+02 0.687E+02   0.274E+02 -.158E+02 -.708E+02   -.975E+00 0.563E+00 0.210E+01   0.330E-03 -.188E-03 -.163E-02
   0.124E+02 -.336E+02 0.454E+02   -.125E+02 0.342E+02 -.457E+02   0.924E-01 -.681E+00 0.347E+00   0.598E-03 -.134E-02 -.871E-03
   0.610E+01 -.132E+02 0.199E+02   -.610E+01 0.133E+02 -.199E+02   0.113E-01 -.785E-01 -.101E-01   0.235E-03 0.156E-03 -.358E-03
   -.526E+00 -.375E+01 0.154E+02   0.537E+00 0.377E+01 -.154E+02   -.232E-02 -.218E-01 0.296E-02   0.118E-02 0.476E-03 -.204E-03
   -.906E+01 0.523E+01 0.155E+02   0.908E+01 -.524E+01 -.155E+02   -.154E-01 0.892E-02 0.460E-02   0.154E-02 -.885E-03 -.222E-03
   -.265E+02 0.444E+01 0.264E+02   0.267E+02 -.456E+01 -.264E+02   -.232E+00 0.118E+00 -.570E-01   0.426E-03 -.947E-03 -.388E-03
   -.214E+02 -.227E+02 0.396E+02   0.215E+02 0.229E+02 -.396E+02   -.114E+00 -.227E+00 -.162E-01   0.736E-03 -.131E-02 -.762E-03
   -.267E+01 -.182E+02 0.249E+02   0.269E+01 0.183E+02 -.249E+02   -.756E-02 -.116E+00 -.602E-02   0.602E-03 0.116E-02 -.639E-03
   0.203E+01 -.117E+01 0.178E+02   -.203E+01 0.117E+01 -.178E+02   0.127E-01 -.732E-02 -.345E-02   -.380E-04 0.248E-04 -.724E-03
   0.299E+01 0.233E+01 0.154E+02   -.300E+01 -.235E+01 -.154E+02   0.177E-01 0.129E-01 0.296E-02   0.181E-03 -.126E-02 -.201E-03
   -.447E+01 0.983E+00 0.163E+02   0.449E+01 -.101E+01 -.163E+02   -.159E-01 0.150E-01 -.229E-02   0.952E-03 -.868E-03 -.267E-03
   -.112E+02 -.505E+01 0.186E+02   0.112E+02 0.505E+01 -.185E+02   -.190E-01 -.120E-01 -.548E-01   0.152E-02 0.730E-03 -.375E-03
   -.570E+01 -.694E+01 0.203E+02   0.571E+01 0.697E+01 -.203E+02   -.334E-02 -.346E-01 -.198E-01   0.161E-02 -.558E-04 -.893E-03
 -----------------------------------------------------------------------------------------------
   -.182E-02 0.307E-03 0.859E+01   0.130E-12 0.146E-12 0.746E-13   0.213E-15 -.971E-16 -.854E+01   0.534E-06 -.298E-06 -.255E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85161      6.05928     12.31933         0.000000      0.000000      0.004191
      2.25781      6.76285     13.63945         0.010234      0.017726      0.019199
      1.44540      5.35570     13.63945        -0.010234     -0.017726      0.019199
      0.00071     -0.00041      9.93648        -0.010347      0.005974     -0.002376
     11.11354      2.13598      9.93901        -0.008436      0.002122     -0.003685
      9.87735      4.27541      9.95289        -0.014953      0.009233     -0.000564
      8.64320      6.41476      9.95324        -0.012346      0.007618     -0.001096
     -4.93916      8.55529      9.94650        -0.010721      0.004531      0.000593
      2.47075     -0.00186      9.94650        -0.009284      0.007019      0.000593
      1.23448      2.13525      9.95233        -0.008395      0.015524     -0.000133
     -0.00494      4.27424      9.98326        -0.009016     -0.003291      0.001383
     -1.24014      6.41519      9.99037        -0.012554      0.003315     -0.000720
     -2.46969      8.55418      9.96133        -0.006687      0.003861     -0.001065
      4.93956     -0.00016      9.95324        -0.012771      0.006883     -0.001096
      3.70509      2.13506      9.96160        -0.015114      0.009914     -0.000392
      2.47010      4.26162     10.02885        -0.005326      0.004431     -0.001226
      1.22695      6.41992     10.10201        -0.003520      0.002032     -0.006603
     -0.00250      8.55885      9.99037        -0.009148      0.009214     -0.000720
      7.40936      0.00072      9.95289        -0.015472      0.008333     -0.000564
      6.17403      2.13799      9.95349        -0.011598      0.003751     -0.000304
      4.94014      4.27611      9.98430        -0.007582      0.004378     -0.000096
      3.71767      6.42248     10.02885        -0.006501      0.002396     -0.001226
      2.46922      8.55961      9.98326        -0.001658      0.009454      0.001383
      9.88025     -0.00014      9.93901        -0.006056      0.006245     -0.003685
      8.64364      2.13790      9.94174        -0.009136      0.005275      0.001132
      7.40875      4.27659      9.95349        -0.009047      0.008168     -0.000304
      6.17682      6.41623      9.96160        -0.016143      0.008133     -0.000392
      4.94135      8.55574      9.95233        -0.017642     -0.000492     -0.000133
     -0.00090      1.42460      9.93901         0.006056     -0.006245     -0.003685
     -1.23814      3.56282      9.95233         0.017642      0.000492     -0.000133
     -2.47361      5.70233      9.96160         0.016143     -0.008133     -0.000392
     -3.70554      7.84196      9.95349         0.009047     -0.008168     -0.000304
     -4.94043      9.98066      9.94174         0.009136     -0.005275      0.001132
      2.46999      1.42374      9.95289         0.015472     -0.008333     -0.000564
      1.23399      3.55894      9.98326         0.001658     -0.009454      0.001383
     -0.01445      5.69608     10.02885         0.006501     -0.002396     -0.001226
     -1.23693      7.84244      9.98430         0.007582     -0.004378     -0.000096
     -2.47081      9.98056      9.95349         0.011598     -0.003751     -0.000304
      4.93980      1.42462      9.95324         0.012771     -0.006883     -0.001096
      3.70571      3.55970      9.99037         0.009148     -0.009214     -0.000720
      2.47626      5.69863     10.10201         0.003520     -0.002032     -0.006603
      1.23312      7.85693     10.02885         0.005326     -0.004431     -0.001226
     -0.00188      9.98350      9.96160         0.015114     -0.009914     -0.000392
      7.40861      1.42631      9.94650         0.009284     -0.007019      0.000593
      6.17290      3.56438      9.96133         0.006687     -0.003861     -0.001065
      4.94335      5.70336      9.99037         0.012554     -0.003315     -0.000720
      3.70815      7.84432      9.98326         0.009016      0.003291      0.001383
      2.46873      9.98331      9.95233         0.008395     -0.015524     -0.000133
      9.87864      1.42487      9.93648         0.010347     -0.005974     -0.002376
      8.64237      3.56326      9.94650         0.010721     -0.004531      0.000593
      7.40944      5.70216      9.95324         0.012346     -0.007618     -0.001096
      6.17529      7.84151      9.95289         0.014953     -0.009233     -0.000564
      4.93910      9.98094      9.93901         0.008436     -0.002122     -0.003685
 -----------------------------------------------------------------------------------
    total drift:                               -0.001821      0.000307      0.023540


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


 Conjugate gradient step on ions:
 trial-energy change:   -0.000119  1 .order   -0.000113   -0.001290    0.001064
  (g-gl).g = 0.164E-02      g.g   = 0.154E-02  gl.gl    = 0.336E-01
 g(Force)  = 0.576E-03   g(Stress)= 0.963E-03 ortho     =-0.993E-04
 gamma     =   0.04884
 trial     =   0.84094
 opt step  =   0.46081  (harmonic =   0.46081) maximal distance =0.00074877
 next E    =  -471.644910   (d E  =  -0.00035)


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


    WAVPRE:  VPU time    1.94: CPU time    1.94
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.34: CPU time    1.34
    ORTHCH:  VPU time  183.04: CPU time   91.87
     LOOP+:  VPU time 9273.06: CPU time 4781.55


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


    POTLOK:  VPU time    9.03: CPU time    9.03
    SETDIJ:  VPU time    0.33: CPU time    0.33
    EDDAV :  VPU time 1789.86: CPU time  927.59
 BZINTS: Fermi energy: -3.078953;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  114.70: CPU time   57.86
    MIXING:  VPU time    0.14: CPU time    0.14
    ------------------------------------------
      LOOP:  VPU time 1914.13: CPU time  994.99

 eigenvalue-minimisations  :  5952
 total energy-change (2. order) :-0.4716450E+03  (-0.9629909E-03)
 number of electron  212.0000066 magnetization    0.0000000
 augmentation part     7.9599396 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.45632E-02    rms(broyden)= 0.45623E-02
  rms(prec ) = 0.48949E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34042.31312960
  -1/2 Hartree   DENC   =    -40942.51166714
  -V(xc)+E(xc)   XCENC  =       726.61023510
  PAW double counting   =      4092.94802392    -4131.33314910
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.11139800
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64497203 eV

  energy without entropy =     -471.64497203  energy(sigma->0) =     -471.64497203


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




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


    POTLOK:  VPU time    9.14: CPU time    9.14
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1544.13: CPU time  798.87
 BZINTS: Fermi energy: -3.078875;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1553.69: CPU time  808.38

 eigenvalue-minimisations  :  4800
 total energy-change (2. order) : 0.3751455E-04  (-0.2316782E-04)
 number of electron  212.0000066 magnetization    0.0000000
 augmentation part     7.9599396 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34042.31312960
  -1/2 Hartree   DENC   =    -40942.48832376
  -V(xc)+E(xc)   XCENC  =       726.60851979
  PAW double counting   =      4092.88861640    -4131.27363710
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.13309305
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64493451 eV

  energy without entropy =     -471.64493451  energy(sigma->0) =     -471.64493451


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




 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 -58.5415       2 -39.9872       3 -39.9872       4 -58.2436       5 -58.2481
       6 -58.2554       7 -58.2463       8 -58.2442       9 -58.2442      10 -58.2604
      11 -58.3153      12 -58.2919      13 -58.2494      14 -58.2463      15 -58.2575
      16 -58.4373      17 -58.7312      18 -58.2920      19 -58.2554      20 -58.2497
      21 -58.2769      22 -58.4373      23 -58.3153      24 -58.2481      25 -58.2428
      26 -58.2497      27 -58.2575      28 -58.2604      29 -58.2480      30 -58.2603
      31 -58.2574      32 -58.2496      33 -58.2427      34 -58.2553      35 -58.3152
      36 -58.4372      37 -58.2768      38 -58.2496      39 -58.2462      40 -58.2918
      41 -58.7311      42 -58.4373      43 -58.2574      44 -58.2441      45 -58.2493
      46 -58.2918      47 -58.3152      48 -58.2603      49 -58.2435      50 -58.2441
      51 -58.2462      52 -58.2553      53 -58.2480
 
 
 
 E-fermi :  -3.0789     XC(G=0):  -2.3467     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     -22.3554      1.00000
      2     -21.5359      1.00000
      3     -21.4061      1.00000
      4     -21.4050      1.00000
      5     -21.3738      1.00000
      6     -21.3646      1.00000
      7     -21.3573      1.00000
      8     -19.6455      1.00000
      9     -19.5712      1.00000
     10     -19.5640      1.00000
     11     -19.5577      1.00000
     12     -19.5392      1.00000
     13     -19.5364      1.00000
     14     -18.7274      1.00000
     15     -18.6787      1.00000
     16     -18.6712      1.00000
     17     -18.6576      1.00000
     18     -18.6422      1.00000
     19     -18.6404      1.00000
     20     -16.5861      1.00000
     21     -16.5252      1.00000
     22     -16.5231      1.00000
     23     -16.5107      1.00000
     24     -16.4856      1.00000
     25     -16.4842      1.00000
     26     -15.5592      1.00000
     27     -15.5246      1.00000
     28     -15.5238      1.00000
     29     -15.4982      1.00000
     30     -15.4951      1.00000
     31     -15.4874      1.00000
     32     -14.2061      1.00000
     33     -14.1796      1.00000
     34     -14.1661      1.00000
     35     -14.1638      1.00000
     36     -14.1593      1.00000
     37     -14.1478      1.00000
     38     -11.8850      1.00000
     39     -11.8076      1.00000
     40     -11.7919      1.00000
     41     -11.7904      1.00000
     42     -11.7883      1.00000
     43     -11.7817      1.00000
     44     -11.7037      1.00000
     45     -11.6975      1.00000
     46     -11.6720      1.00000
     47     -11.6566      1.00000
     48     -11.6562      1.00000
     49     -11.6499      1.00000
     50     -10.6758      1.00000
     51     -10.3289      1.00000
     52     -10.3201      1.00000
     53     -10.3043      1.00000
     54     -10.3040      1.00000
     55     -10.2896      1.00000
     56     -10.2768      1.00000
     57      -9.9296      1.00000
     58      -9.3725      1.00000
     59      -9.3585      1.00000
     60      -9.2994      1.00000
     61      -9.2911      1.00000
     62      -9.2842      1.00000
     63      -9.0924      1.00000
     64      -9.0533      1.00000
     65      -9.0488      1.00000
     66      -9.0258      1.00000
     67      -9.0065      1.00000
     68      -9.0013      1.00000
     69      -8.9999      1.00000
     70      -8.9935      1.00000
     71      -8.9912      1.00000
     72      -8.9721      1.00000
     73      -8.9636      1.00000
     74      -8.9531      1.00000
     75      -8.5079      1.00000
     76      -7.5117      1.00000
     77      -7.4104      1.00000
     78      -7.4099      1.00000
     79      -7.4012      1.00000
     80      -7.3834      1.00000
     81      -7.3637      1.00000
     82      -7.3407      1.00000
     83      -7.3070      1.00000
     84      -7.2692      1.00000
     85      -7.2054      1.00000
     86      -7.1791      1.00000
     87      -7.1789      1.00000
     88      -7.0714      1.00000
     89      -6.5095      1.00000
     90      -6.4606      1.00000
     91      -6.3546      1.00000
     92      -6.2924      1.00000
     93      -6.2870      1.00000
     94      -6.2858      1.00000
     95      -5.8973      1.00000
     96      -5.8832      1.00000
     97      -5.0527      1.00000
     98      -4.9357      1.00000
     99      -4.5392      1.00000
    100      -4.3400      1.00000
    101      -4.3172      1.00000
    102      -4.3164      1.00000
    103      -4.1149      1.00000
    104      -3.9125      1.00000
    105      -3.9016      1.00000
    106      -3.8372      1.00000
    107      -1.6804      0.00000
    108      -1.6683      0.00000
    109      -1.5361      0.00000
    110      -1.5351      0.00000
    111      -1.5213      0.00000
    112      -1.5085      0.00000
    113      -0.5807      0.00000
    114       0.1338      0.00000
    115       0.2057      0.00000
    116       0.3247      0.00000
    117       0.3274      0.00000
    118       0.3346      0.00000
    119       0.4985      0.00000
    120       0.5947      0.00000
    121       1.2596      0.00000
    122       1.2734      0.00000
    123       1.5248      0.00000
    124       1.7934      0.00000
    125       1.8023      0.00000
    126       1.8057      0.00000
    127       1.8100      0.00000
    128       1.9454      0.00000
    129       1.9783      0.00000
    130       2.0324      0.00000
    131       2.0457      0.00000
    132       2.0508      0.00000
    133       2.0552      0.00000
    134       2.0598      0.00000
    135       2.3051      0.00000
    136       2.3236      0.00000
    137       2.6079      0.00000
    138       2.6157      0.00000
    139       2.6423      0.00000
    140       2.7221      0.00000
    141       2.8608      0.00000
    142       3.0239      0.00000
    143       3.0538      0.00000
    144       3.0807      0.00000
    145       3.0935      0.00000
    146       3.0948      0.00000
    147       3.0985      0.00000
    148       3.2288      0.00000
    149       3.4463      0.00000
    150       3.5379      0.00000
    151       3.7855      0.00000
    152       3.9397      0.00000
    153       3.9413      0.00000
    154       3.9523      0.00000
    155       3.9554      0.00000
    156       3.9971      0.00000
    157       4.1778      0.00000
    158       4.2649      0.00000
    159       4.2861      0.00000
    160       4.2863      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3188      1.00000
      2     -21.7603      1.00000
      3     -21.5696      1.00000
      4     -21.5368      1.00000
      5     -21.2068      1.00000
      6     -21.1618      1.00000
      7     -20.9861      1.00000
      8     -20.1008      1.00000
      9     -20.0566      1.00000
     10     -19.5455      1.00000
     11     -19.5205      1.00000
     12     -19.3481      1.00000
     13     -19.0239      1.00000
     14     -18.9885      1.00000
     15     -18.9804      1.00000
     16     -18.9681      1.00000
     17     -18.2965      1.00000
     18     -18.2770      1.00000
     19     -17.9512      1.00000
     20     -17.0092      1.00000
     21     -16.9588      1.00000
     22     -16.8779      1.00000
     23     -16.8673      1.00000
     24     -16.4042      1.00000
     25     -16.3888      1.00000
     26     -15.5521      1.00000
     27     -15.5343      1.00000
     28     -15.1977      1.00000
     29     -15.1681      1.00000
     30     -15.1134      1.00000
     31     -15.0263      1.00000
     32     -15.0015      1.00000
     33     -14.6357      1.00000
     34     -14.6235      1.00000
     35     -13.6669      1.00000
     36     -13.6512      1.00000
     37     -13.1686      1.00000
     38     -12.5505      1.00000
     39     -12.5165      1.00000
     40     -12.3901      1.00000
     41     -12.3766      1.00000
     42     -12.0572      1.00000
     43     -12.0339      1.00000
     44     -11.6590      1.00000
     45     -11.6165      1.00000
     46     -11.1810      1.00000
     47     -11.1553      1.00000
     48     -10.9647      1.00000
     49     -10.9395      1.00000
     50     -10.8738      1.00000
     51     -10.8363      1.00000
     52     -10.6034      1.00000
     53     -10.0932      1.00000
     54     -10.0873      1.00000
     55     -10.0463      1.00000
     56      -9.9708      1.00000
     57      -9.6543      1.00000
     58      -9.6281      1.00000
     59      -9.5914      1.00000
     60      -9.5290      1.00000
     61      -9.5105      1.00000
     62      -9.4777      1.00000
     63      -9.2647      1.00000
     64      -9.2403      1.00000
     65      -9.2204      1.00000
     66      -9.1656      1.00000
     67      -9.0677      1.00000
     68      -9.0457      1.00000
     69      -9.0401      1.00000
     70      -8.8824      1.00000
     71      -8.8058      1.00000
     72      -8.5804      1.00000
     73      -8.5218      1.00000
     74      -8.4650      1.00000
     75      -8.0343      1.00000
     76      -7.8123      1.00000
     77      -7.8065      1.00000
     78      -7.7924      1.00000
     79      -7.6992      1.00000
     80      -7.6899      1.00000
     81      -7.3604      1.00000
     82      -7.2737      1.00000
     83      -7.2637      1.00000
     84      -7.2141      1.00000
     85      -7.1716      1.00000
     86      -7.0074      1.00000
     87      -6.9469      1.00000
     88      -6.7470      1.00000
     89      -6.6717      1.00000
     90      -6.5931      1.00000
     91      -6.5585      1.00000
     92      -6.0500      1.00000
     93      -6.0471      1.00000
     94      -6.0214      1.00000
     95      -5.9579      1.00000
     96      -5.7357      1.00000
     97      -5.1589      1.00000
     98      -4.9893      1.00000
     99      -4.7184      1.00000
    100      -4.6102      1.00000
    101      -4.4402      1.00000
    102      -4.3732      1.00000
    103      -4.1220      1.00000
    104      -3.8679      1.00000
    105      -3.8368      1.00000
    106      -3.7906      1.00000
    107      -1.7853      0.00000
    108      -1.7378      0.00000
    109      -1.3934      0.00000
    110      -1.3461      0.00000
    111      -1.2633      0.00000
    112      -1.2254      0.00000
    113      -0.7429      0.00000
    114      -0.3773      0.00000
    115      -0.2202      0.00000
    116      -0.0157      0.00000
    117       0.5899      0.00000
    118       0.7361      0.00000
    119       0.7639      0.00000
    120       1.0501      0.00000
    121       1.1417      0.00000
    122       1.2510      0.00000
    123       1.2719      0.00000
    124       1.4139      0.00000
    125       1.4781      0.00000
    126       1.5840      0.00000
    127       1.7556      0.00000
    128       1.8391      0.00000
    129       1.8955      0.00000
    130       1.9590      0.00000
    131       2.1064      0.00000
    132       2.2329      0.00000
    133       2.2479      0.00000
    134       2.2930      0.00000
    135       2.4860      0.00000
    136       2.6116      0.00000
    137       2.6352      0.00000
    138       2.7641      0.00000
    139       2.7946      0.00000
    140       2.8550      0.00000
    141       2.8656      0.00000
    142       2.8919      0.00000
    143       2.9568      0.00000
    144       3.0783      0.00000
    145       3.2793      0.00000
    146       3.3008      0.00000
    147       3.3725      0.00000
    148       3.4056      0.00000
    149       3.4645      0.00000
    150       3.5829      0.00000
    151       3.6342      0.00000
    152       3.6681      0.00000
    153       3.7045      0.00000
    154       3.9026      0.00000
    155       3.9378      0.00000
    156       3.9800      0.00000
    157       4.0801      0.00000
    158       4.1990      0.00000
    159       4.2408      0.00000
    160       4.2951      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2132      1.00000
      2     -22.0068      1.00000
      3     -21.6482      1.00000
      4     -21.6112      1.00000
      5     -20.9121      1.00000
      6     -20.8656      1.00000
      7     -20.5448      1.00000
      8     -20.5052      1.00000
      9     -20.4949      1.00000
     10     -19.9626      1.00000
     11     -19.4417      1.00000
     12     -19.4143      1.00000
     13     -19.2407      1.00000
     14     -19.2261      1.00000
     15     -18.3833      1.00000
     16     -18.3390      1.00000
     17     -17.8593      1.00000
     18     -17.8379      1.00000
     19     -17.6972      1.00000
     20     -17.6544      1.00000
     21     -17.3713      1.00000
     22     -17.3549      1.00000
     23     -17.2738      1.00000
     24     -16.4005      1.00000
     25     -16.3855      1.00000
     26     -15.8950      1.00000
     27     -15.3526      1.00000
     28     -15.3359      1.00000
     29     -15.0345      1.00000
     30     -15.0198      1.00000
     31     -14.7995      1.00000
     32     -14.7743      1.00000
     33     -14.2208      1.00000
     34     -14.1887      1.00000
     35     -13.3702      1.00000
     36     -13.3361      1.00000
     37     -13.1195      1.00000
     38     -13.1017      1.00000
     39     -12.9152      1.00000
     40     -12.9015      1.00000
     41     -12.5565      1.00000
     42     -12.5382      1.00000
     43     -12.1322      1.00000
     44     -11.5220      1.00000
     45     -11.4734      1.00000
     46     -11.2537      1.00000
     47     -11.2192      1.00000
     48     -11.0788      1.00000
     49     -10.6612      1.00000
     50     -10.5877      1.00000
     51     -10.5238      1.00000
     52     -10.2565      1.00000
     53     -10.2484      1.00000
     54     -10.1226      1.00000
     55     -10.0480      1.00000
     56     -10.0404      1.00000
     57      -9.7703      1.00000
     58      -9.7041      1.00000
     59      -9.6794      1.00000
     60      -9.6299      1.00000
     61      -9.6248      1.00000
     62      -9.5870      1.00000
     63      -9.2941      1.00000
     64      -9.2843      1.00000
     65      -9.2531      1.00000
     66      -9.0911      1.00000
     67      -8.8958      1.00000
     68      -8.8832      1.00000
     69      -8.7242      1.00000
     70      -8.5907      1.00000
     71      -8.5137      1.00000
     72      -8.3304      1.00000
     73      -8.3022      1.00000
     74      -8.2641      1.00000
     75      -8.2318      1.00000
     76      -8.1944      1.00000
     77      -8.1856      1.00000
     78      -8.1704      1.00000
     79      -8.1059      1.00000
     80      -7.6882      1.00000
     81      -7.3537      1.00000
     82      -7.3093      1.00000
     83      -7.2630      1.00000
     84      -7.1866      1.00000
     85      -7.1237      1.00000
     86      -7.0761      1.00000
     87      -6.9064      1.00000
     88      -6.8818      1.00000
     89      -6.5491      1.00000
     90      -6.4915      1.00000
     91      -6.2096      1.00000
     92      -6.0699      1.00000
     93      -5.9419      1.00000
     94      -5.7158      1.00000
     95      -5.6323      1.00000
     96      -5.4520      1.00000
     97      -5.3050      1.00000
     98      -5.2335      1.00000
     99      -5.1514      1.00000
    100      -5.1509      1.00000
    101      -4.5246      1.00000
    102      -4.4698      1.00000
    103      -4.1433      1.00000
    104      -3.8398      1.00000
    105      -3.7572      1.00000
    106      -3.6792      1.00000
    107      -1.8710      0.00000
    108      -1.8234      0.00000
    109      -1.2754      0.00000
    110      -1.0363      0.00000
    111      -1.0110      0.00000
    112      -0.7109      0.00000
    113      -0.6399      0.00000
    114      -0.5878      0.00000
    115      -0.5455      0.00000
    116      -0.1981      0.00000
    117       0.2531      0.00000
    118       0.2791      0.00000
    119       0.7598      0.00000
    120       0.9453      0.00000
    121       1.1320      0.00000
    122       1.2258      0.00000
    123       1.3205      0.00000
    124       1.4124      0.00000
    125       1.5994      0.00000
    126       1.6336      0.00000
    127       1.6986      0.00000
    128       1.8242      0.00000
    129       1.9171      0.00000
    130       2.0091      0.00000
    131       2.1049      0.00000
    132       2.3277      0.00000
    133       2.3956      0.00000
    134       2.4311      0.00000
    135       2.5396      0.00000
    136       2.6330      0.00000
    137       2.7538      0.00000
    138       2.8176      0.00000
    139       2.8313      0.00000
    140       2.8864      0.00000
    141       3.0400      0.00000
    142       3.0879      0.00000
    143       3.1838      0.00000
    144       3.2365      0.00000
    145       3.3832      0.00000
    146       3.4203      0.00000
    147       3.4781      0.00000
    148       3.5723      0.00000
    149       3.5970      0.00000
    150       3.6265      0.00000
    151       3.6499      0.00000
    152       3.7410      0.00000
    153       3.7692      0.00000
    154       3.7839      0.00000
    155       3.8042      0.00000
    156       3.8932      0.00000
    157       3.9738      0.00000
    158       4.0049      0.00000
    159       4.1723      0.00000
    160       4.2364      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2470      1.00000
      2     -21.8927      1.00000
      3     -21.8220      1.00000
      4     -21.3107      1.00000
      5     -21.2804      1.00000
      6     -20.7695      1.00000
      7     -20.7035      1.00000
      8     -20.5551      1.00000
      9     -20.0078      1.00000
     10     -20.0005      1.00000
     11     -19.6468      1.00000
     12     -19.6225      1.00000
     13     -18.9285      1.00000
     14     -18.9201      1.00000
     15     -18.5695      1.00000
     16     -18.5557      1.00000
     17     -18.3928      1.00000
     18     -17.6144      1.00000
     19     -17.5578      1.00000
     20     -17.5526      1.00000
     21     -17.5109      1.00000
     22     -17.0548      1.00000
     23     -17.0373      1.00000
     24     -16.8897      1.00000
     25     -15.9279      1.00000
     26     -15.8678      1.00000
     27     -15.5150      1.00000
     28     -15.5140      1.00000
     29     -15.2290      1.00000
     30     -14.7931      1.00000
     31     -14.7658      1.00000
     32     -14.5144      1.00000
     33     -14.4699      1.00000
     34     -14.1017      1.00000
     35     -14.0903      1.00000
     36     -13.0746      1.00000
     37     -13.0316      1.00000
     38     -12.9656      1.00000
     39     -12.9536      1.00000
     40     -12.6441      1.00000
     41     -12.6376      1.00000
     42     -12.2733      1.00000
     43     -12.2417      1.00000
     44     -11.5881      1.00000
     45     -11.5605      1.00000
     46     -11.5063      1.00000
     47     -10.9050      1.00000
     48     -10.8504      1.00000
     49     -10.6230      1.00000
     50     -10.5580      1.00000
     51     -10.4835      1.00000
     52     -10.4328      1.00000
     53     -10.4228      1.00000
     54     -10.3694      1.00000
     55     -10.2921      1.00000
     56     -10.0656      1.00000
     57      -9.8323      1.00000
     58      -9.5471      1.00000
     59      -9.4864      1.00000
     60      -9.4731      1.00000
     61      -9.3457      1.00000
     62      -9.3299      1.00000
     63      -9.3086      1.00000
     64      -9.3069      1.00000
     65      -9.2137      1.00000
     66      -9.1121      1.00000
     67      -9.0808      1.00000
     68      -9.0495      1.00000
     69      -8.8503      1.00000
     70      -8.7924      1.00000
     71      -8.7737      1.00000
     72      -8.5263      1.00000
     73      -8.4761      1.00000
     74      -8.2252      1.00000
     75      -8.1104      1.00000
     76      -8.0990      1.00000
     77      -7.8078      1.00000
     78      -7.7826      1.00000
     79      -7.7799      1.00000
     80      -7.6738      1.00000
     81      -7.6307      1.00000
     82      -7.6297      1.00000
     83      -7.3985      1.00000
     84      -7.3241      1.00000
     85      -7.1957      1.00000
     86      -6.8388      1.00000
     87      -6.8288      1.00000
     88      -6.6627      1.00000
     89      -6.5377      1.00000
     90      -6.3433      1.00000
     91      -6.3070      1.00000
     92      -6.1835      1.00000
     93      -6.1478      1.00000
     94      -5.9766      1.00000
     95      -5.5714      1.00000
     96      -5.4255      1.00000
     97      -5.2580      1.00000
     98      -5.2530      1.00000
     99      -5.1485      1.00000
    100      -4.6953      1.00000
    101      -4.6641      1.00000
    102      -4.3480      1.00000
    103      -4.3171      1.00000
    104      -3.9648      1.00000
    105      -3.8336      1.00000
    106      -3.3886      1.00000
    107      -2.2202      0.00000
    108      -1.3767      0.00000
    109      -1.2856      0.00000
    110      -1.1725      0.00000
    111      -1.0767      0.00000
    112      -0.8931      0.00000
    113      -0.7672      0.00000
    114      -0.7565      0.00000
    115      -0.2132      0.00000
    116       0.1135      0.00000
    117       0.2636      0.00000
    118       0.3464      0.00000
    119       0.7334      0.00000
    120       0.9036      0.00000
    121       0.9721      0.00000
    122       1.0941      0.00000
    123       1.2087      0.00000
    124       1.5289      0.00000
    125       1.5597      0.00000
    126       1.7149      0.00000
    127       1.8389      0.00000
    128       1.8627      0.00000
    129       1.9678      0.00000
    130       1.9951      0.00000
    131       2.1581      0.00000
    132       2.2660      0.00000
    133       2.4530      0.00000
    134       2.4648      0.00000
    135       2.5060      0.00000
    136       2.6659      0.00000
    137       2.6860      0.00000
    138       2.7309      0.00000
    139       2.7425      0.00000
    140       2.8902      0.00000
    141       3.0206      0.00000
    142       3.0796      0.00000
    143       3.1924      0.00000
    144       3.2508      0.00000
    145       3.2560      0.00000
    146       3.2664      0.00000
    147       3.3569      0.00000
    148       3.4789      0.00000
    149       3.5263      0.00000
    150       3.6963      0.00000
    151       3.7497      0.00000
    152       3.7702      0.00000
    153       3.8320      0.00000
    154       3.8765      0.00000
    155       3.9392      0.00000
    156       3.9823      0.00000
    157       4.0222      0.00000
    158       4.0457      0.00000
    159       4.0527      0.00000
    160       4.1227      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1411      1.00000
      2     -22.0457      1.00000
      3     -21.8856      1.00000
      4     -21.3337      1.00000
      5     -20.9808      1.00000
      6     -20.9422      1.00000
      7     -20.4325      1.00000
      8     -20.3897      1.00000
      9     -20.2256      1.00000
     10     -20.2041      1.00000
     11     -19.8882      1.00000
     12     -19.8205      1.00000
     13     -18.8140      1.00000
     14     -18.7428      1.00000
     15     -18.2892      1.00000
     16     -18.2355      1.00000
     17     -18.0850      1.00000
     18     -18.0647      1.00000
     19     -17.7608      1.00000
     20     -17.7182      1.00000
     21     -17.1883      1.00000
     22     -17.1687      1.00000
     23     -17.0992      1.00000
     24     -17.0629      1.00000
     25     -16.0363      1.00000
     26     -15.8230      1.00000
     27     -15.7984      1.00000
     28     -15.7637      1.00000
     29     -15.1734      1.00000
     30     -14.4908      1.00000
     31     -14.4576      1.00000
     32     -14.2176      1.00000
     33     -13.8941      1.00000
     34     -13.8890      1.00000
     35     -13.7554      1.00000
     36     -13.7345      1.00000
     37     -13.5512      1.00000
     38     -13.5024      1.00000
     39     -13.2988      1.00000
     40     -12.5631      1.00000
     41     -12.1251      1.00000
     42     -12.0654      1.00000
     43     -12.0097      1.00000
     44     -11.9508      1.00000
     45     -11.6102      1.00000
     46     -11.5870      1.00000
     47     -11.0853      1.00000
     48     -11.0511      1.00000
     49     -10.7537      1.00000
     50     -10.6634      1.00000
     51     -10.5278      1.00000
     52     -10.1476      1.00000
     53     -10.1379      1.00000
     54     -10.0952      1.00000
     55      -9.9523      1.00000
     56      -9.9469      1.00000
     57      -9.9163      1.00000
     58      -9.7376      1.00000
     59      -9.7298      1.00000
     60      -9.7006      1.00000
     61      -9.6893      1.00000
     62      -9.4308      1.00000
     63      -9.3628      1.00000
     64      -9.0879      1.00000
     65      -9.0057      1.00000
     66      -8.9739      1.00000
     67      -8.8877      1.00000
     68      -8.8104      1.00000
     69      -8.6582      1.00000
     70      -8.6341      1.00000
     71      -8.5807      1.00000
     72      -8.4780      1.00000
     73      -8.4674      1.00000
     74      -8.3978      1.00000
     75      -8.3935      1.00000
     76      -8.1831      1.00000
     77      -8.1155      1.00000
     78      -7.9762      1.00000
     79      -7.9167      1.00000
     80      -7.8458      1.00000
     81      -7.6185      1.00000
     82      -7.5297      1.00000
     83      -7.4687      1.00000
     84      -7.2510      1.00000
     85      -6.9338      1.00000
     86      -6.8567      1.00000
     87      -6.8099      1.00000
     88      -6.5754      1.00000
     89      -6.4669      1.00000
     90      -6.4200      1.00000
     91      -6.3558      1.00000
     92      -6.0523      1.00000
     93      -5.8778      1.00000
     94      -5.7526      1.00000
     95      -5.7210      1.00000
     96      -5.4772      1.00000
     97      -5.3458      1.00000
     98      -5.1797      1.00000
     99      -5.1555      1.00000
    100      -5.1539      1.00000
    101      -4.7077      1.00000
    102      -4.4400      1.00000
    103      -4.2571      1.00000
    104      -3.9964      1.00000
    105      -3.8324      1.00000
    106      -3.1553      1.00000
    107      -2.4627      0.00000
    108      -1.3773      0.00000
    109      -1.2413      0.00000
    110      -1.1454      0.00000
    111      -1.1142      0.00000
    112      -0.5614      0.00000
    113      -0.4340      0.00000
    114      -0.4286      0.00000
    115      -0.3101      0.00000
    116      -0.1886      0.00000
    117       0.0624      0.00000
    118       0.1188      0.00000
    119       0.5404      0.00000
    120       0.6845      0.00000
    121       0.8706      0.00000
    122       0.9675      0.00000
    123       1.1106      0.00000
    124       1.4950      0.00000
    125       1.6616      0.00000
    126       1.7987      0.00000
    127       1.8743      0.00000
    128       2.0907      0.00000
    129       2.1352      0.00000
    130       2.1950      0.00000
    131       2.2140      0.00000
    132       2.3402      0.00000
    133       2.3603      0.00000
    134       2.4871      0.00000
    135       2.5799      0.00000
    136       2.6668      0.00000
    137       2.8780      0.00000
    138       2.9381      0.00000
    139       2.9652      0.00000
    140       2.9889      0.00000
    141       3.0398      0.00000
    142       3.1487      0.00000
    143       3.1794      0.00000
    144       3.2428      0.00000
    145       3.2891      0.00000
    146       3.3310      0.00000
    147       3.3490      0.00000
    148       3.3787      0.00000
    149       3.4060      0.00000
    150       3.4942      0.00000
    151       3.5487      0.00000
    152       3.6284      0.00000
    153       3.6919      0.00000
    154       3.7071      0.00000
    155       3.7214      0.00000
    156       3.9186      0.00000
    157       3.9329      0.00000
    158       4.0560      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     -22.2468      1.00000
      2     -21.8942      1.00000
      3     -21.8205      1.00000
      4     -21.3153      1.00000
      5     -21.2764      1.00000
      6     -20.7706      1.00000
      7     -20.7015      1.00000
      8     -20.5536      1.00000
      9     -20.0220      1.00000
     10     -19.9894      1.00000
     11     -19.6494      1.00000
     12     -19.6182      1.00000
     13     -18.9426      1.00000
     14     -18.9076      1.00000
     15     -18.5832      1.00000
     16     -18.5456      1.00000
     17     -18.3912      1.00000
     18     -17.6014      1.00000
     19     -17.5696      1.00000
     20     -17.5402      1.00000
     21     -17.5074      1.00000
     22     -17.0738      1.00000
     23     -17.0265      1.00000
     24     -16.8995      1.00000
     25     -15.9451      1.00000
     26     -15.8495      1.00000
     27     -15.5328      1.00000
     28     -15.5057      1.00000
     29     -15.2077      1.00000
     30     -14.8134      1.00000
     31     -14.7606      1.00000
     32     -14.5091      1.00000
     33     -14.4667      1.00000
     34     -14.0950      1.00000
     35     -14.0919      1.00000
     36     -13.1046      1.00000
     37     -13.0290      1.00000
     38     -12.9563      1.00000
     39     -12.9483      1.00000
     40     -12.6554      1.00000
     41     -12.6265      1.00000
     42     -12.2734      1.00000
     43     -12.2460      1.00000
     44     -11.5723      1.00000
     45     -11.5523      1.00000
     46     -11.4992      1.00000
     47     -10.8780      1.00000
     48     -10.8678      1.00000
     49     -10.6846      1.00000
     50     -10.5250      1.00000
     51     -10.5194      1.00000
     52     -10.4322      1.00000
     53     -10.4152      1.00000
     54     -10.3696      1.00000
     55     -10.2874      1.00000
     56     -10.0609      1.00000
     57      -9.8311      1.00000
     58      -9.5594      1.00000
     59      -9.4840      1.00000
     60      -9.4458      1.00000
     61      -9.3543      1.00000
     62      -9.3386      1.00000
     63      -9.3070      1.00000
     64      -9.3019      1.00000
     65      -9.2054      1.00000
     66      -9.0984      1.00000
     67      -9.0670      1.00000
     68      -9.0479      1.00000
     69      -8.8537      1.00000
     70      -8.7952      1.00000
     71      -8.7779      1.00000
     72      -8.5264      1.00000
     73      -8.4979      1.00000
     74      -8.2303      1.00000
     75      -8.1285      1.00000
     76      -8.0923      1.00000
     77      -7.8065      1.00000
     78      -7.7667      1.00000
     79      -7.7384      1.00000
     80      -7.7042      1.00000
     81      -7.6356      1.00000
     82      -7.6233      1.00000
     83      -7.3865      1.00000
     84      -7.3432      1.00000
     85      -7.2156      1.00000
     86      -6.8432      1.00000
     87      -6.8191      1.00000
     88      -6.6403      1.00000
     89      -6.5285      1.00000
     90      -6.3412      1.00000
     91      -6.2724      1.00000
     92      -6.1950      1.00000
     93      -6.1305      1.00000
     94      -6.0212      1.00000
     95      -5.6385      1.00000
     96      -5.5079      1.00000
     97      -5.2972      1.00000
     98      -5.1553      1.00000
     99      -5.0395      1.00000
    100      -4.7269      1.00000
    101      -4.6847      1.00000
    102      -4.3671      1.00000
    103      -4.1866      1.00000
    104      -4.0095      1.00000
    105      -3.8319      1.00000
    106      -3.4836      1.00000
    107      -2.1635      0.00000
    108      -1.3820      0.00000
    109      -1.2356      0.00000
    110      -1.1838      0.00000
    111      -1.0130      0.00000
    112      -0.9559      0.00000
    113      -0.7971      0.00000
    114      -0.7516      0.00000
    115      -0.3615      0.00000
    116       0.2454      0.00000
    117       0.2773      0.00000
    118       0.3658      0.00000
    119       0.6995      0.00000
    120       0.8690      0.00000
    121       0.9661      0.00000
    122       1.1264      0.00000
    123       1.2353      0.00000
    124       1.4558      0.00000
    125       1.5528      0.00000
    126       1.7816      0.00000
    127       1.8509      0.00000
    128       1.8828      0.00000
    129       1.9831      0.00000
    130       2.0292      0.00000
    131       2.1963      0.00000
    132       2.2095      0.00000
    133       2.4006      0.00000
    134       2.4495      0.00000
    135       2.5531      0.00000
    136       2.6582      0.00000
    137       2.6850      0.00000
    138       2.7268      0.00000
    139       2.7661      0.00000
    140       2.8533      0.00000
    141       2.9642      0.00000
    142       3.0786      0.00000
    143       3.1887      0.00000
    144       3.2378      0.00000
    145       3.2529      0.00000
    146       3.2914      0.00000
    147       3.3278      0.00000
    148       3.4794      0.00000
    149       3.5064      0.00000
    150       3.7086      0.00000
    151       3.7197      0.00000
    152       3.7696      0.00000
    153       3.8592      0.00000
    154       3.8728      0.00000
    155       3.8963      0.00000
    156       3.9957      0.00000
    157       3.9971      0.00000
    158       4.0480      0.00000
    159       4.0635      0.00000
    160       4.1050      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3188      1.00000
      2     -21.7607      1.00000
      3     -21.5668      1.00000
      4     -21.5396      1.00000
      5     -21.2041      1.00000
      6     -21.1651      1.00000
      7     -20.9848      1.00000
      8     -20.0978      1.00000
      9     -20.0589      1.00000
     10     -19.5454      1.00000
     11     -19.5252      1.00000
     12     -19.3439      1.00000
     13     -19.0273      1.00000
     14     -18.9872      1.00000
     15     -18.9766      1.00000
     16     -18.9709      1.00000
     17     -18.2951      1.00000
     18     -18.2816      1.00000
     19     -17.9453      1.00000
     20     -16.9998      1.00000
     21     -16.9585      1.00000
     22     -16.8819      1.00000
     23     -16.8691      1.00000
     24     -16.4157      1.00000
     25     -16.3927      1.00000
     26     -15.5395      1.00000
     27     -15.5360      1.00000
     28     -15.1713      1.00000
     29     -15.1698      1.00000
     30     -15.1311      1.00000
     31     -15.0364      1.00000
     32     -15.0010      1.00000
     33     -14.6323      1.00000
     34     -14.6252      1.00000
     35     -13.6619      1.00000
     36     -13.6517      1.00000
     37     -13.1709      1.00000
     38     -12.5734      1.00000
     39     -12.5130      1.00000
     40     -12.3852      1.00000
     41     -12.3847      1.00000
     42     -12.0341      1.00000
     43     -12.0297      1.00000
     44     -11.6536      1.00000
     45     -11.6131      1.00000
     46     -11.2068      1.00000
     47     -11.1566      1.00000
     48     -10.9550      1.00000
     49     -10.9418      1.00000
     50     -10.8591      1.00000
     51     -10.8266      1.00000
     52     -10.6265      1.00000
     53     -10.1478      1.00000
     54     -10.0842      1.00000
     55     -10.0251      1.00000
     56      -9.9462      1.00000
     57      -9.6307      1.00000
     58      -9.6286      1.00000
     59      -9.6023      1.00000
     60      -9.5403      1.00000
     61      -9.5021      1.00000
     62      -9.4776      1.00000
     63      -9.2733      1.00000
     64      -9.2349      1.00000
     65      -9.2068      1.00000
     66      -9.1782      1.00000
     67      -9.0615      1.00000
     68      -9.0466      1.00000
     69      -9.0429      1.00000
     70      -8.8765      1.00000
     71      -8.8072      1.00000
     72      -8.5392      1.00000
     73      -8.5319      1.00000
     74      -8.5042      1.00000
     75      -8.0313      1.00000
     76      -7.8310      1.00000
     77      -7.8019      1.00000
     78      -7.7730      1.00000
     79      -7.7027      1.00000
     80      -7.6840      1.00000
     81      -7.4098      1.00000
     82      -7.2879      1.00000
     83      -7.2515      1.00000
     84      -7.2025      1.00000
     85      -7.0821      1.00000
     86      -7.0724      1.00000
     87      -6.9363      1.00000
     88      -6.7118      1.00000
     89      -6.6739      1.00000
     90      -6.6282      1.00000
     91      -6.5563      1.00000
     92      -6.0719      1.00000
     93      -6.0314      1.00000
     94      -6.0008      1.00000
     95      -5.9355      1.00000
     96      -5.8008      1.00000
     97      -5.1830      1.00000
     98      -4.8952      1.00000
     99      -4.7934      1.00000
    100      -4.6101      1.00000
    101      -4.5114      1.00000
    102      -4.1401      1.00000
    103      -4.0925      1.00000
    104      -3.9308      1.00000
    105      -3.9161      1.00000
    106      -3.8308      1.00000
    107      -1.7509      0.00000
    108      -1.6950      0.00000
    109      -1.4091      0.00000
    110      -1.3712      0.00000
    111      -1.2638      0.00000
    112      -1.2358      0.00000
    113      -0.6200      0.00000
    114      -0.5984      0.00000
    115      -0.1899      0.00000
    116       0.0453      0.00000
    117       0.5831      0.00000
    118       0.7404      0.00000
    119       0.8511      0.00000
    120       0.9286      0.00000
    121       1.1678      0.00000
    122       1.2105      0.00000
    123       1.2469      0.00000
    124       1.4181      0.00000
    125       1.5985      0.00000
    126       1.6368      0.00000
    127       1.7034      0.00000
    128       1.8038      0.00000
    129       1.9230      0.00000
    130       1.9406      0.00000
    131       2.1477      0.00000
    132       2.1712      0.00000
    133       2.2598      0.00000
    134       2.2978      0.00000
    135       2.5406      0.00000
    136       2.5563      0.00000
    137       2.6321      0.00000
    138       2.7591      0.00000
    139       2.8052      0.00000
    140       2.8454      0.00000
    141       2.8935      0.00000
    142       2.9423      0.00000
    143       3.0132      0.00000
    144       3.0258      0.00000
    145       3.0820      0.00000
    146       3.3072      0.00000
    147       3.3685      0.00000
    148       3.4152      0.00000
    149       3.4771      0.00000
    150       3.5977      0.00000
    151       3.6560      0.00000
    152       3.6618      0.00000
    153       3.6776      0.00000
    154       3.8895      0.00000
    155       3.9744      0.00000
    156       4.0235      0.00000
    157       4.0699      0.00000
    158       4.2325      0.00000
    159       4.2545      0.00000
    160       4.2638      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1401      1.00000
      2     -22.0472      1.00000
      3     -21.8851      1.00000
      4     -21.3345      1.00000
      5     -20.9758      1.00000
      6     -20.9464      1.00000
      7     -20.4272      1.00000
      8     -20.3952      1.00000
      9     -20.2151      1.00000
     10     -20.2133      1.00000
     11     -19.8870      1.00000
     12     -19.8230      1.00000
     13     -18.8170      1.00000
     14     -18.7459      1.00000
     15     -18.2649      1.00000
     16     -18.2510      1.00000
     17     -18.0794      1.00000
     18     -18.0729      1.00000
     19     -17.7450      1.00000
     20     -17.7294      1.00000
     21     -17.1945      1.00000
     22     -17.1710      1.00000
     23     -17.0873      1.00000
     24     -17.0672      1.00000
     25     -16.0546      1.00000
     26     -15.8070      1.00000
     27     -15.7975      1.00000
     28     -15.7775      1.00000
     29     -15.1577      1.00000
     30     -14.4846      1.00000
     31     -14.4631      1.00000
     32     -14.2027      1.00000
     33     -13.9168      1.00000
     34     -13.8865      1.00000
     35     -13.7592      1.00000
     36     -13.7386      1.00000
     37     -13.5352      1.00000
     38     -13.5093      1.00000
     39     -13.3008      1.00000
     40     -12.5767      1.00000
     41     -12.1002      1.00000
     42     -12.0761      1.00000
     43     -11.9973      1.00000
     44     -11.9493      1.00000
     45     -11.6060      1.00000
     46     -11.5980      1.00000
     47     -11.0843      1.00000
     48     -11.0604      1.00000
     49     -10.7314      1.00000
     50     -10.6629      1.00000
     51     -10.5615      1.00000
     52     -10.1394      1.00000
     53     -10.1347      1.00000
     54     -10.1001      1.00000
     55      -9.9659      1.00000
     56      -9.9250      1.00000
     57      -9.9207      1.00000
     58      -9.7510      1.00000
     59      -9.7288      1.00000
     60      -9.6970      1.00000
     61      -9.6945      1.00000
     62      -9.4022      1.00000
     63      -9.3879      1.00000
     64      -9.0705      1.00000
     65      -8.9819      1.00000
     66      -8.9813      1.00000
     67      -8.9051      1.00000
     68      -8.8110      1.00000
     69      -8.6499      1.00000
     70      -8.6334      1.00000
     71      -8.5511      1.00000
     72      -8.5009      1.00000
     73      -8.4813      1.00000
     74      -8.3935      1.00000
     75      -8.3813      1.00000
     76      -8.2096      1.00000
     77      -8.1029      1.00000
     78      -8.0067      1.00000
     79      -7.9023      1.00000
     80      -7.8446      1.00000
     81      -7.6213      1.00000
     82      -7.5327      1.00000
     83      -7.4551      1.00000
     84      -7.2482      1.00000
     85      -6.9432      1.00000
     86      -6.8693      1.00000
     87      -6.8098      1.00000
     88      -6.4771      1.00000
     89      -6.4679      1.00000
     90      -6.4076      1.00000
     91      -6.3593      1.00000
     92      -6.1934      1.00000
     93      -5.8575      1.00000
     94      -5.7369      1.00000
     95      -5.7106      1.00000
     96      -5.5244      1.00000
     97      -5.3283      1.00000
     98      -5.1716      1.00000
     99      -5.1669      1.00000
    100      -5.1334      1.00000
    101      -4.6951      1.00000
    102      -4.3474      1.00000
    103      -4.2833      1.00000
    104      -4.0297      1.00000
    105      -3.8334      1.00000
    106      -3.2328      1.00000
    107      -2.4041      0.00000
    108      -1.3437      0.00000
    109      -1.2439      0.00000
    110      -1.1524      0.00000
    111      -1.1078      0.00000
    112      -0.5801      0.00000
    113      -0.5217      0.00000
    114      -0.4336      0.00000
    115      -0.2746      0.00000
    116      -0.0679      0.00000
    117      -0.0098      0.00000
    118       0.0599      0.00000
    119       0.5833      0.00000
    120       0.7115      0.00000
    121       0.8092      0.00000
    122       0.9437      0.00000
    123       1.1828      0.00000
    124       1.5072      0.00000
    125       1.6211      0.00000
    126       1.8558      0.00000
    127       2.0021      0.00000
    128       2.0495      0.00000
    129       2.1097      0.00000
    130       2.1494      0.00000
    131       2.2611      0.00000
    132       2.2863      0.00000
    133       2.3480      0.00000
    134       2.4617      0.00000
    135       2.6094      0.00000
    136       2.6989      0.00000
    137       2.8163      0.00000
    138       2.9147      0.00000
    139       2.9420      0.00000
    140       3.0123      0.00000
    141       3.0460      0.00000
    142       3.1551      0.00000
    143       3.1621      0.00000
    144       3.2213      0.00000
    145       3.2979      0.00000
    146       3.3096      0.00000
    147       3.3521      0.00000
    148       3.3722      0.00000
    149       3.4149      0.00000
    150       3.4413      0.00000
    151       3.5564      0.00000
    152       3.6099      0.00000
    153       3.6994      0.00000
    154       3.7216      0.00000
    155       3.8453      0.00000
    156       3.9024      0.00000
    157       3.9302      0.00000
    158       3.9585      0.00000
    159       4.1422      0.00000
    160       4.1779      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2128      1.00000
      2     -22.0076      1.00000
      3     -21.6455      1.00000
      4     -21.6142      1.00000
      5     -20.9092      1.00000
      6     -20.8684      1.00000
      7     -20.5385      1.00000
      8     -20.5059      1.00000
      9     -20.4990      1.00000
     10     -19.9617      1.00000
     11     -19.4402      1.00000
     12     -19.4182      1.00000
     13     -19.2393      1.00000
     14     -19.2320      1.00000
     15     -18.3755      1.00000
     16     -18.3403      1.00000
     17     -17.8583      1.00000
     18     -17.8421      1.00000
     19     -17.6907      1.00000
     20     -17.6546      1.00000
     21     -17.3718      1.00000
     22     -17.3574      1.00000
     23     -17.2661      1.00000
     24     -16.4133      1.00000
     25     -16.3894      1.00000
     26     -15.9052      1.00000
     27     -15.3425      1.00000
     28     -15.3374      1.00000
     29     -15.0302      1.00000
     30     -15.0202      1.00000
     31     -14.7750      1.00000
     32     -14.7728      1.00000
     33     -14.2379      1.00000
     34     -14.1870      1.00000
     35     -13.3880      1.00000
     36     -13.3334      1.00000
     37     -13.1104      1.00000
     38     -13.1020      1.00000
     39     -12.9178      1.00000
     40     -12.9120      1.00000
     41     -12.5445      1.00000
     42     -12.5365      1.00000
     43     -12.1337      1.00000
     44     -11.5126      1.00000
     45     -11.4679      1.00000
     46     -11.2434      1.00000
     47     -11.2117      1.00000
     48     -11.0870      1.00000
     49     -10.7087      1.00000
     50     -10.5950      1.00000
     51     -10.5090      1.00000
     52     -10.2512      1.00000
     53     -10.2470      1.00000
     54     -10.1213      1.00000
     55     -10.0536      1.00000
     56     -10.0382      1.00000
     57      -9.7858      1.00000
     58      -9.6868      1.00000
     59      -9.6730      1.00000
     60      -9.6375      1.00000
     61      -9.6278      1.00000
     62      -9.5849      1.00000
     63      -9.2960      1.00000
     64      -9.2833      1.00000
     65      -9.2518      1.00000
     66      -9.0682      1.00000
     67      -8.8944      1.00000
     68      -8.8832      1.00000
     69      -8.7179      1.00000
     70      -8.5838      1.00000
     71      -8.5249      1.00000
     72      -8.3508      1.00000
     73      -8.3043      1.00000
     74      -8.2427      1.00000
     75      -8.2373      1.00000
     76      -8.1935      1.00000
     77      -8.1801      1.00000
     78      -8.1683      1.00000
     79      -8.1124      1.00000
     80      -7.6901      1.00000
     81      -7.4147      1.00000
     82      -7.3444      1.00000
     83      -7.2578      1.00000
     84      -7.1690      1.00000
     85      -7.1100      1.00000
     86      -7.0025      1.00000
     87      -6.9035      1.00000
     88      -6.8461      1.00000
     89      -6.5404      1.00000
     90      -6.4990      1.00000
     91      -6.2155      1.00000
     92      -6.2001      1.00000
     93      -5.8939      1.00000
     94      -5.6733      1.00000
     95      -5.6089      1.00000
     96      -5.5798      1.00000
     97      -5.2526      1.00000
     98      -5.2307      1.00000
     99      -5.1642      1.00000
    100      -5.1339      1.00000
    101      -4.5985      1.00000
    102      -4.2530      1.00000
    103      -4.0461      1.00000
    104      -3.8839      1.00000
    105      -3.8451      1.00000
    106      -3.8010      1.00000
    107      -1.8070      0.00000
    108      -1.7795      0.00000
    109      -1.2233      0.00000
    110      -1.1759      0.00000
    111      -0.9733      0.00000
    112      -0.7331      0.00000
    113      -0.6502      0.00000
    114      -0.5934      0.00000
    115      -0.5495      0.00000
    116      -0.1475      0.00000
    117       0.1763      0.00000
    118       0.2883      0.00000
    119       0.7044      0.00000
    120       0.9486      0.00000
    121       1.1683      0.00000
    122       1.2789      0.00000
    123       1.3467      0.00000
    124       1.5106      0.00000
    125       1.6073      0.00000
    126       1.6266      0.00000
    127       1.6921      0.00000
    128       1.7733      0.00000
    129       1.8588      0.00000
    130       2.0772      0.00000
    131       2.1628      0.00000
    132       2.3173      0.00000
    133       2.3901      0.00000
    134       2.4217      0.00000
    135       2.5540      0.00000
    136       2.6232      0.00000
    137       2.6847      0.00000
    138       2.7452      0.00000
    139       2.8128      0.00000
    140       2.9073      0.00000
    141       3.0502      0.00000
    142       3.0602      0.00000
    143       3.1799      0.00000
    144       3.2770      0.00000
    145       3.3766      0.00000
    146       3.4101      0.00000
    147       3.4571      0.00000
    148       3.5463      0.00000
    149       3.5695      0.00000
    150       3.6307      0.00000
    151       3.6608      0.00000
    152       3.7013      0.00000
    153       3.7820      0.00000
    154       3.7958      0.00000
    155       3.8220      0.00000
    156       3.8911      0.00000
    157       3.9027      0.00000
    158       3.9748      0.00000
    159       4.1867      0.00000
    160       4.2291      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3554      1.00000
      2     -21.5359      1.00000
      3     -21.4061      1.00000
      4     -21.4050      1.00000
      5     -21.3738      1.00000
      6     -21.3646      1.00000
      7     -21.3573      1.00000
      8     -19.6455      1.00000
      9     -19.5712      1.00000
     10     -19.5640      1.00000
     11     -19.5577      1.00000
     12     -19.5392      1.00000
     13     -19.5364      1.00000
     14     -18.7274      1.00000
     15     -18.6787      1.00000
     16     -18.6712      1.00000
     17     -18.6576      1.00000
     18     -18.6422      1.00000
     19     -18.6404      1.00000
     20     -16.5861      1.00000
     21     -16.5252      1.00000
     22     -16.5231      1.00000
     23     -16.5107      1.00000
     24     -16.4856      1.00000
     25     -16.4842      1.00000
     26     -15.5592      1.00000
     27     -15.5246      1.00000
     28     -15.5238      1.00000
     29     -15.4982      1.00000
     30     -15.4951      1.00000
     31     -15.4874      1.00000
     32     -14.2061      1.00000
     33     -14.1796      1.00000
     34     -14.1661      1.00000
     35     -14.1638      1.00000
     36     -14.1593      1.00000
     37     -14.1478      1.00000
     38     -11.8850      1.00000
     39     -11.8076      1.00000
     40     -11.7919      1.00000
     41     -11.7904      1.00000
     42     -11.7883      1.00000
     43     -11.7817      1.00000
     44     -11.7037      1.00000
     45     -11.6975      1.00000
     46     -11.6720      1.00000
     47     -11.6566      1.00000
     48     -11.6562      1.00000
     49     -11.6499      1.00000
     50     -10.6758      1.00000
     51     -10.3289      1.00000
     52     -10.3201      1.00000
     53     -10.3043      1.00000
     54     -10.3040      1.00000
     55     -10.2896      1.00000
     56     -10.2768      1.00000
     57      -9.9296      1.00000
     58      -9.3725      1.00000
     59      -9.3585      1.00000
     60      -9.2994      1.00000
     61      -9.2911      1.00000
     62      -9.2842      1.00000
     63      -9.0924      1.00000
     64      -9.0533      1.00000
     65      -9.0488      1.00000
     66      -9.0258      1.00000
     67      -9.0065      1.00000
     68      -9.0013      1.00000
     69      -8.9999      1.00000
     70      -8.9935      1.00000
     71      -8.9912      1.00000
     72      -8.9721      1.00000
     73      -8.9636      1.00000
     74      -8.9531      1.00000
     75      -8.5079      1.00000
     76      -7.5117      1.00000
     77      -7.4104      1.00000
     78      -7.4099      1.00000
     79      -7.4012      1.00000
     80      -7.3834      1.00000
     81      -7.3637      1.00000
     82      -7.3407      1.00000
     83      -7.3070      1.00000
     84      -7.2692      1.00000
     85      -7.2054      1.00000
     86      -7.1791      1.00000
     87      -7.1789      1.00000
     88      -7.0714      1.00000
     89      -6.5095      1.00000
     90      -6.4606      1.00000
     91      -6.3546      1.00000
     92      -6.2924      1.00000
     93      -6.2870      1.00000
     94      -6.2858      1.00000
     95      -5.8973      1.00000
     96      -5.8832      1.00000
     97      -5.0527      1.00000
     98      -4.9357      1.00000
     99      -4.5392      1.00000
    100      -4.3400      1.00000
    101      -4.3172      1.00000
    102      -4.3164      1.00000
    103      -4.1149      1.00000
    104      -3.9125      1.00000
    105      -3.9016      1.00000
    106      -3.8372      1.00000
    107      -1.6804      0.00000
    108      -1.6683      0.00000
    109      -1.5361      0.00000
    110      -1.5351      0.00000
    111      -1.5213      0.00000
    112      -1.5085      0.00000
    113      -0.5807      0.00000
    114       0.1338      0.00000
    115       0.2057      0.00000
    116       0.3247      0.00000
    117       0.3274      0.00000
    118       0.3346      0.00000
    119       0.4985      0.00000
    120       0.5947      0.00000
    121       1.2596      0.00000
    122       1.2734      0.00000
    123       1.5248      0.00000
    124       1.7934      0.00000
    125       1.8023      0.00000
    126       1.8057      0.00000
    127       1.8100      0.00000
    128       1.9454      0.00000
    129       1.9783      0.00000
    130       2.0324      0.00000
    131       2.0457      0.00000
    132       2.0508      0.00000
    133       2.0552      0.00000
    134       2.0598      0.00000
    135       2.3051      0.00000
    136       2.3236      0.00000
    137       2.6079      0.00000
    138       2.6157      0.00000
    139       2.6423      0.00000
    140       2.7221      0.00000
    141       2.8608      0.00000
    142       3.0239      0.00000
    143       3.0538      0.00000
    144       3.0807      0.00000
    145       3.0935      0.00000
    146       3.0948      0.00000
    147       3.0985      0.00000
    148       3.2288      0.00000
    149       3.4463      0.00000
    150       3.5379      0.00000
    151       3.7855      0.00000
    152       3.9397      0.00000
    153       3.9413      0.00000
    154       3.9523      0.00000
    155       3.9554      0.00000
    156       3.9971      0.00000
    157       4.1778      0.00000
    158       4.2649      0.00000
    159       4.2861      0.00000
    160       4.2863      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3188      1.00000
      2     -21.7603      1.00000
      3     -21.5696      1.00000
      4     -21.5368      1.00000
      5     -21.2068      1.00000
      6     -21.1618      1.00000
      7     -20.9861      1.00000
      8     -20.1008      1.00000
      9     -20.0566      1.00000
     10     -19.5455      1.00000
     11     -19.5205      1.00000
     12     -19.3481      1.00000
     13     -19.0239      1.00000
     14     -18.9885      1.00000
     15     -18.9804      1.00000
     16     -18.9681      1.00000
     17     -18.2965      1.00000
     18     -18.2770      1.00000
     19     -17.9512      1.00000
     20     -17.0092      1.00000
     21     -16.9588      1.00000
     22     -16.8779      1.00000
     23     -16.8673      1.00000
     24     -16.4042      1.00000
     25     -16.3888      1.00000
     26     -15.5521      1.00000
     27     -15.5343      1.00000
     28     -15.1977      1.00000
     29     -15.1681      1.00000
     30     -15.1134      1.00000
     31     -15.0263      1.00000
     32     -15.0015      1.00000
     33     -14.6357      1.00000
     34     -14.6235      1.00000
     35     -13.6669      1.00000
     36     -13.6512      1.00000
     37     -13.1686      1.00000
     38     -12.5505      1.00000
     39     -12.5165      1.00000
     40     -12.3901      1.00000
     41     -12.3766      1.00000
     42     -12.0572      1.00000
     43     -12.0339      1.00000
     44     -11.6590      1.00000
     45     -11.6165      1.00000
     46     -11.1810      1.00000
     47     -11.1553      1.00000
     48     -10.9647      1.00000
     49     -10.9395      1.00000
     50     -10.8738      1.00000
     51     -10.8363      1.00000
     52     -10.6034      1.00000
     53     -10.0932      1.00000
     54     -10.0873      1.00000
     55     -10.0463      1.00000
     56      -9.9708      1.00000
     57      -9.6543      1.00000
     58      -9.6281      1.00000
     59      -9.5914      1.00000
     60      -9.5290      1.00000
     61      -9.5105      1.00000
     62      -9.4777      1.00000
     63      -9.2647      1.00000
     64      -9.2403      1.00000
     65      -9.2204      1.00000
     66      -9.1656      1.00000
     67      -9.0677      1.00000
     68      -9.0457      1.00000
     69      -9.0401      1.00000
     70      -8.8824      1.00000
     71      -8.8058      1.00000
     72      -8.5804      1.00000
     73      -8.5218      1.00000
     74      -8.4650      1.00000
     75      -8.0343      1.00000
     76      -7.8123      1.00000
     77      -7.8065      1.00000
     78      -7.7924      1.00000
     79      -7.6992      1.00000
     80      -7.6899      1.00000
     81      -7.3604      1.00000
     82      -7.2737      1.00000
     83      -7.2637      1.00000
     84      -7.2141      1.00000
     85      -7.1716      1.00000
     86      -7.0074      1.00000
     87      -6.9469      1.00000
     88      -6.7470      1.00000
     89      -6.6717      1.00000
     90      -6.5931      1.00000
     91      -6.5585      1.00000
     92      -6.0500      1.00000
     93      -6.0471      1.00000
     94      -6.0214      1.00000
     95      -5.9579      1.00000
     96      -5.7357      1.00000
     97      -5.1589      1.00000
     98      -4.9893      1.00000
     99      -4.7184      1.00000
    100      -4.6102      1.00000
    101      -4.4402      1.00000
    102      -4.3732      1.00000
    103      -4.1220      1.00000
    104      -3.8679      1.00000
    105      -3.8368      1.00000
    106      -3.7906      1.00000
    107      -1.7853      0.00000
    108      -1.7378      0.00000
    109      -1.3934      0.00000
    110      -1.3461      0.00000
    111      -1.2633      0.00000
    112      -1.2254      0.00000
    113      -0.7429      0.00000
    114      -0.3773      0.00000
    115      -0.2202      0.00000
    116      -0.0157      0.00000
    117       0.5899      0.00000
    118       0.7361      0.00000
    119       0.7639      0.00000
    120       1.0501      0.00000
    121       1.1417      0.00000
    122       1.2510      0.00000
    123       1.2719      0.00000
    124       1.4139      0.00000
    125       1.4781      0.00000
    126       1.5840      0.00000
    127       1.7556      0.00000
    128       1.8391      0.00000
    129       1.8955      0.00000
    130       1.9590      0.00000
    131       2.1064      0.00000
    132       2.2329      0.00000
    133       2.2479      0.00000
    134       2.2930      0.00000
    135       2.4860      0.00000
    136       2.6116      0.00000
    137       2.6352      0.00000
    138       2.7641      0.00000
    139       2.7946      0.00000
    140       2.8550      0.00000
    141       2.8656      0.00000
    142       2.8919      0.00000
    143       2.9568      0.00000
    144       3.0783      0.00000
    145       3.2794      0.00000
    146       3.3008      0.00000
    147       3.3725      0.00000
    148       3.4056      0.00000
    149       3.4645      0.00000
    150       3.5829      0.00000
    151       3.6342      0.00000
    152       3.6681      0.00000
    153       3.7045      0.00000
    154       3.9026      0.00000
    155       3.9378      0.00000
    156       3.9800      0.00000
    157       4.0801      0.00000
    158       4.1990      0.00000
    159       4.2408      0.00000
    160       4.2951      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2132      1.00000
      2     -22.0068      1.00000
      3     -21.6482      1.00000
      4     -21.6112      1.00000
      5     -20.9121      1.00000
      6     -20.8656      1.00000
      7     -20.5448      1.00000
      8     -20.5052      1.00000
      9     -20.4949      1.00000
     10     -19.9626      1.00000
     11     -19.4417      1.00000
     12     -19.4143      1.00000
     13     -19.2407      1.00000
     14     -19.2261      1.00000
     15     -18.3833      1.00000
     16     -18.3390      1.00000
     17     -17.8593      1.00000
     18     -17.8379      1.00000
     19     -17.6972      1.00000
     20     -17.6544      1.00000
     21     -17.3713      1.00000
     22     -17.3549      1.00000
     23     -17.2738      1.00000
     24     -16.4005      1.00000
     25     -16.3855      1.00000
     26     -15.8950      1.00000
     27     -15.3526      1.00000
     28     -15.3359      1.00000
     29     -15.0345      1.00000
     30     -15.0198      1.00000
     31     -14.7995      1.00000
     32     -14.7743      1.00000
     33     -14.2208      1.00000
     34     -14.1887      1.00000
     35     -13.3702      1.00000
     36     -13.3361      1.00000
     37     -13.1195      1.00000
     38     -13.1017      1.00000
     39     -12.9152      1.00000
     40     -12.9015      1.00000
     41     -12.5565      1.00000
     42     -12.5382      1.00000
     43     -12.1322      1.00000
     44     -11.5220      1.00000
     45     -11.4734      1.00000
     46     -11.2537      1.00000
     47     -11.2192      1.00000
     48     -11.0788      1.00000
     49     -10.6612      1.00000
     50     -10.5877      1.00000
     51     -10.5238      1.00000
     52     -10.2565      1.00000
     53     -10.2484      1.00000
     54     -10.1226      1.00000
     55     -10.0480      1.00000
     56     -10.0404      1.00000
     57      -9.7703      1.00000
     58      -9.7041      1.00000
     59      -9.6794      1.00000
     60      -9.6299      1.00000
     61      -9.6248      1.00000
     62      -9.5870      1.00000
     63      -9.2941      1.00000
     64      -9.2843      1.00000
     65      -9.2531      1.00000
     66      -9.0911      1.00000
     67      -8.8958      1.00000
     68      -8.8832      1.00000
     69      -8.7242      1.00000
     70      -8.5907      1.00000
     71      -8.5137      1.00000
     72      -8.3304      1.00000
     73      -8.3022      1.00000
     74      -8.2641      1.00000
     75      -8.2318      1.00000
     76      -8.1944      1.00000
     77      -8.1856      1.00000
     78      -8.1704      1.00000
     79      -8.1059      1.00000
     80      -7.6882      1.00000
     81      -7.3537      1.00000
     82      -7.3093      1.00000
     83      -7.2630      1.00000
     84      -7.1866      1.00000
     85      -7.1237      1.00000
     86      -7.0761      1.00000
     87      -6.9064      1.00000
     88      -6.8818      1.00000
     89      -6.5491      1.00000
     90      -6.4915      1.00000
     91      -6.2096      1.00000
     92      -6.0699      1.00000
     93      -5.9419      1.00000
     94      -5.7158      1.00000
     95      -5.6323      1.00000
     96      -5.4520      1.00000
     97      -5.3050      1.00000
     98      -5.2335      1.00000
     99      -5.1514      1.00000
    100      -5.1509      1.00000
    101      -4.5246      1.00000
    102      -4.4698      1.00000
    103      -4.1433      1.00000
    104      -3.8398      1.00000
    105      -3.7572      1.00000
    106      -3.6792      1.00000
    107      -1.8710      0.00000
    108      -1.8234      0.00000
    109      -1.2754      0.00000
    110      -1.0363      0.00000
    111      -1.0110      0.00000
    112      -0.7109      0.00000
    113      -0.6399      0.00000
    114      -0.5878      0.00000
    115      -0.5455      0.00000
    116      -0.1981      0.00000
    117       0.2531      0.00000
    118       0.2791      0.00000
    119       0.7598      0.00000
    120       0.9453      0.00000
    121       1.1320      0.00000
    122       1.2258      0.00000
    123       1.3205      0.00000
    124       1.4124      0.00000
    125       1.5994      0.00000
    126       1.6336      0.00000
    127       1.6986      0.00000
    128       1.8242      0.00000
    129       1.9171      0.00000
    130       2.0091      0.00000
    131       2.1049      0.00000
    132       2.3277      0.00000
    133       2.3956      0.00000
    134       2.4311      0.00000
    135       2.5396      0.00000
    136       2.6330      0.00000
    137       2.7538      0.00000
    138       2.8176      0.00000
    139       2.8313      0.00000
    140       2.8864      0.00000
    141       3.0400      0.00000
    142       3.0879      0.00000
    143       3.1838      0.00000
    144       3.2365      0.00000
    145       3.3832      0.00000
    146       3.4203      0.00000
    147       3.4781      0.00000
    148       3.5723      0.00000
    149       3.5970      0.00000
    150       3.6265      0.00000
    151       3.6499      0.00000
    152       3.7410      0.00000
    153       3.7692      0.00000
    154       3.7839      0.00000
    155       3.8042      0.00000
    156       3.8932      0.00000
    157       3.9738      0.00000
    158       4.0049      0.00000
    159       4.1723      0.00000
    160       4.2364      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2470      1.00000
      2     -21.8927      1.00000
      3     -21.8220      1.00000
      4     -21.3107      1.00000
      5     -21.2804      1.00000
      6     -20.7695      1.00000
      7     -20.7035      1.00000
      8     -20.5551      1.00000
      9     -20.0078      1.00000
     10     -20.0005      1.00000
     11     -19.6468      1.00000
     12     -19.6225      1.00000
     13     -18.9285      1.00000
     14     -18.9201      1.00000
     15     -18.5695      1.00000
     16     -18.5557      1.00000
     17     -18.3928      1.00000
     18     -17.6144      1.00000
     19     -17.5578      1.00000
     20     -17.5526      1.00000
     21     -17.5109      1.00000
     22     -17.0548      1.00000
     23     -17.0373      1.00000
     24     -16.8897      1.00000
     25     -15.9279      1.00000
     26     -15.8678      1.00000
     27     -15.5150      1.00000
     28     -15.5140      1.00000
     29     -15.2290      1.00000
     30     -14.7931      1.00000
     31     -14.7658      1.00000
     32     -14.5144      1.00000
     33     -14.4699      1.00000
     34     -14.1017      1.00000
     35     -14.0903      1.00000
     36     -13.0746      1.00000
     37     -13.0316      1.00000
     38     -12.9656      1.00000
     39     -12.9536      1.00000
     40     -12.6441      1.00000
     41     -12.6376      1.00000
     42     -12.2733      1.00000
     43     -12.2417      1.00000
     44     -11.5881      1.00000
     45     -11.5605      1.00000
     46     -11.5063      1.00000
     47     -10.9050      1.00000
     48     -10.8504      1.00000
     49     -10.6230      1.00000
     50     -10.5580      1.00000
     51     -10.4835      1.00000
     52     -10.4328      1.00000
     53     -10.4228      1.00000
     54     -10.3694      1.00000
     55     -10.2921      1.00000
     56     -10.0656      1.00000
     57      -9.8323      1.00000
     58      -9.5471      1.00000
     59      -9.4864      1.00000
     60      -9.4731      1.00000
     61      -9.3457      1.00000
     62      -9.3299      1.00000
     63      -9.3086      1.00000
     64      -9.3069      1.00000
     65      -9.2137      1.00000
     66      -9.1121      1.00000
     67      -9.0808      1.00000
     68      -9.0495      1.00000
     69      -8.8503      1.00000
     70      -8.7924      1.00000
     71      -8.7737      1.00000
     72      -8.5263      1.00000
     73      -8.4761      1.00000
     74      -8.2252      1.00000
     75      -8.1104      1.00000
     76      -8.0990      1.00000
     77      -7.8078      1.00000
     78      -7.7826      1.00000
     79      -7.7799      1.00000
     80      -7.6738      1.00000
     81      -7.6307      1.00000
     82      -7.6297      1.00000
     83      -7.3985      1.00000
     84      -7.3241      1.00000
     85      -7.1957      1.00000
     86      -6.8388      1.00000
     87      -6.8288      1.00000
     88      -6.6627      1.00000
     89      -6.5377      1.00000
     90      -6.3433      1.00000
     91      -6.3070      1.00000
     92      -6.1835      1.00000
     93      -6.1478      1.00000
     94      -5.9766      1.00000
     95      -5.5714      1.00000
     96      -5.4255      1.00000
     97      -5.2580      1.00000
     98      -5.2530      1.00000
     99      -5.1485      1.00000
    100      -4.6953      1.00000
    101      -4.6641      1.00000
    102      -4.3480      1.00000
    103      -4.3171      1.00000
    104      -3.9648      1.00000
    105      -3.8336      1.00000
    106      -3.3886      1.00000
    107      -2.2202      0.00000
    108      -1.3767      0.00000
    109      -1.2856      0.00000
    110      -1.1725      0.00000
    111      -1.0767      0.00000
    112      -0.8931      0.00000
    113      -0.7672      0.00000
    114      -0.7565      0.00000
    115      -0.2132      0.00000
    116       0.1135      0.00000
    117       0.2636      0.00000
    118       0.3464      0.00000
    119       0.7334      0.00000
    120       0.9036      0.00000
    121       0.9721      0.00000
    122       1.0941      0.00000
    123       1.2087      0.00000
    124       1.5289      0.00000
    125       1.5597      0.00000
    126       1.7149      0.00000
    127       1.8389      0.00000
    128       1.8627      0.00000
    129       1.9678      0.00000
    130       1.9951      0.00000
    131       2.1581      0.00000
    132       2.2660      0.00000
    133       2.4530      0.00000
    134       2.4648      0.00000
    135       2.5060      0.00000
    136       2.6659      0.00000
    137       2.6860      0.00000
    138       2.7309      0.00000
    139       2.7425      0.00000
    140       2.8902      0.00000
    141       3.0206      0.00000
    142       3.0796      0.00000
    143       3.1924      0.00000
    144       3.2508      0.00000
    145       3.2560      0.00000
    146       3.2664      0.00000
    147       3.3569      0.00000
    148       3.4789      0.00000
    149       3.5263      0.00000
    150       3.6963      0.00000
    151       3.7497      0.00000
    152       3.7702      0.00000
    153       3.8320      0.00000
    154       3.8765      0.00000
    155       3.9392      0.00000
    156       3.9823      0.00000
    157       4.0222      0.00000
    158       4.0457      0.00000
    159       4.0527      0.00000
    160       4.1227      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1411      1.00000
      2     -22.0457      1.00000
      3     -21.8856      1.00000
      4     -21.3337      1.00000
      5     -20.9808      1.00000
      6     -20.9422      1.00000
      7     -20.4325      1.00000
      8     -20.3897      1.00000
      9     -20.2256      1.00000
     10     -20.2041      1.00000
     11     -19.8882      1.00000
     12     -19.8205      1.00000
     13     -18.8140      1.00000
     14     -18.7428      1.00000
     15     -18.2892      1.00000
     16     -18.2355      1.00000
     17     -18.0850      1.00000
     18     -18.0647      1.00000
     19     -17.7608      1.00000
     20     -17.7182      1.00000
     21     -17.1883      1.00000
     22     -17.1687      1.00000
     23     -17.0992      1.00000
     24     -17.0629      1.00000
     25     -16.0363      1.00000
     26     -15.8230      1.00000
     27     -15.7984      1.00000
     28     -15.7637      1.00000
     29     -15.1734      1.00000
     30     -14.4908      1.00000
     31     -14.4576      1.00000
     32     -14.2176      1.00000
     33     -13.8941      1.00000
     34     -13.8890      1.00000
     35     -13.7554      1.00000
     36     -13.7345      1.00000
     37     -13.5512      1.00000
     38     -13.5024      1.00000
     39     -13.2988      1.00000
     40     -12.5631      1.00000
     41     -12.1251      1.00000
     42     -12.0654      1.00000
     43     -12.0097      1.00000
     44     -11.9508      1.00000
     45     -11.6102      1.00000
     46     -11.5870      1.00000
     47     -11.0853      1.00000
     48     -11.0511      1.00000
     49     -10.7537      1.00000
     50     -10.6634      1.00000
     51     -10.5278      1.00000
     52     -10.1476      1.00000
     53     -10.1379      1.00000
     54     -10.0952      1.00000
     55      -9.9523      1.00000
     56      -9.9469      1.00000
     57      -9.9163      1.00000
     58      -9.7376      1.00000
     59      -9.7298      1.00000
     60      -9.7006      1.00000
     61      -9.6893      1.00000
     62      -9.4308      1.00000
     63      -9.3628      1.00000
     64      -9.0879      1.00000
     65      -9.0057      1.00000
     66      -8.9739      1.00000
     67      -8.8877      1.00000
     68      -8.8104      1.00000
     69      -8.6582      1.00000
     70      -8.6341      1.00000
     71      -8.5807      1.00000
     72      -8.4780      1.00000
     73      -8.4674      1.00000
     74      -8.3978      1.00000
     75      -8.3935      1.00000
     76      -8.1831      1.00000
     77      -8.1155      1.00000
     78      -7.9762      1.00000
     79      -7.9167      1.00000
     80      -7.8458      1.00000
     81      -7.6185      1.00000
     82      -7.5297      1.00000
     83      -7.4687      1.00000
     84      -7.2510      1.00000
     85      -6.9338      1.00000
     86      -6.8567      1.00000
     87      -6.8099      1.00000
     88      -6.5754      1.00000
     89      -6.4669      1.00000
     90      -6.4200      1.00000
     91      -6.3558      1.00000
     92      -6.0523      1.00000
     93      -5.8778      1.00000
     94      -5.7526      1.00000
     95      -5.7210      1.00000
     96      -5.4772      1.00000
     97      -5.3458      1.00000
     98      -5.1797      1.00000
     99      -5.1555      1.00000
    100      -5.1539      1.00000
    101      -4.7077      1.00000
    102      -4.4400      1.00000
    103      -4.2571      1.00000
    104      -3.9964      1.00000
    105      -3.8324      1.00000
    106      -3.1553      1.00000
    107      -2.4627      0.00000
    108      -1.3773      0.00000
    109      -1.2413      0.00000
    110      -1.1454      0.00000
    111      -1.1142      0.00000
    112      -0.5614      0.00000
    113      -0.4340      0.00000
    114      -0.4286      0.00000
    115      -0.3101      0.00000
    116      -0.1886      0.00000
    117       0.0624      0.00000
    118       0.1188      0.00000
    119       0.5404      0.00000
    120       0.6845      0.00000
    121       0.8706      0.00000
    122       0.9675      0.00000
    123       1.1106      0.00000
    124       1.4950      0.00000
    125       1.6616      0.00000
    126       1.7987      0.00000
    127       1.8743      0.00000
    128       2.0907      0.00000
    129       2.1352      0.00000
    130       2.1950      0.00000
    131       2.2140      0.00000
    132       2.3402      0.00000
    133       2.3603      0.00000
    134       2.4871      0.00000
    135       2.5799      0.00000
    136       2.6668      0.00000
    137       2.8780      0.00000
    138       2.9381      0.00000
    139       2.9652      0.00000
    140       2.9889      0.00000
    141       3.0398      0.00000
    142       3.1487      0.00000
    143       3.1794      0.00000
    144       3.2428      0.00000
    145       3.2891      0.00000
    146       3.3310      0.00000
    147       3.3490      0.00000
    148       3.3787      0.00000
    149       3.4060      0.00000
    150       3.4942      0.00000
    151       3.5487      0.00000
    152       3.6284      0.00000
    153       3.6919      0.00000
    154       3.7071      0.00000
    155       3.7214      0.00000
    156       3.9186      0.00000
    157       3.9330      0.00000
    158       4.0560      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     -22.2468      1.00000
      2     -21.8942      1.00000
      3     -21.8205      1.00000
      4     -21.3153      1.00000
      5     -21.2764      1.00000
      6     -20.7706      1.00000
      7     -20.7015      1.00000
      8     -20.5536      1.00000
      9     -20.0220      1.00000
     10     -19.9894      1.00000
     11     -19.6494      1.00000
     12     -19.6182      1.00000
     13     -18.9426      1.00000
     14     -18.9076      1.00000
     15     -18.5832      1.00000
     16     -18.5456      1.00000
     17     -18.3912      1.00000
     18     -17.6014      1.00000
     19     -17.5696      1.00000
     20     -17.5402      1.00000
     21     -17.5074      1.00000
     22     -17.0738      1.00000
     23     -17.0265      1.00000
     24     -16.8995      1.00000
     25     -15.9451      1.00000
     26     -15.8495      1.00000
     27     -15.5328      1.00000
     28     -15.5057      1.00000
     29     -15.2077      1.00000
     30     -14.8134      1.00000
     31     -14.7606      1.00000
     32     -14.5091      1.00000
     33     -14.4667      1.00000
     34     -14.0950      1.00000
     35     -14.0919      1.00000
     36     -13.1046      1.00000
     37     -13.0290      1.00000
     38     -12.9563      1.00000
     39     -12.9483      1.00000
     40     -12.6554      1.00000
     41     -12.6265      1.00000
     42     -12.2734      1.00000
     43     -12.2460      1.00000
     44     -11.5723      1.00000
     45     -11.5523      1.00000
     46     -11.4992      1.00000
     47     -10.8780      1.00000
     48     -10.8678      1.00000
     49     -10.6846      1.00000
     50     -10.5250      1.00000
     51     -10.5194      1.00000
     52     -10.4322      1.00000
     53     -10.4152      1.00000
     54     -10.3696      1.00000
     55     -10.2874      1.00000
     56     -10.0609      1.00000
     57      -9.8311      1.00000
     58      -9.5594      1.00000
     59      -9.4840      1.00000
     60      -9.4458      1.00000
     61      -9.3543      1.00000
     62      -9.3386      1.00000
     63      -9.3070      1.00000
     64      -9.3019      1.00000
     65      -9.2054      1.00000
     66      -9.0984      1.00000
     67      -9.0670      1.00000
     68      -9.0479      1.00000
     69      -8.8537      1.00000
     70      -8.7952      1.00000
     71      -8.7779      1.00000
     72      -8.5264      1.00000
     73      -8.4979      1.00000
     74      -8.2303      1.00000
     75      -8.1285      1.00000
     76      -8.0923      1.00000
     77      -7.8065      1.00000
     78      -7.7667      1.00000
     79      -7.7384      1.00000
     80      -7.7042      1.00000
     81      -7.6356      1.00000
     82      -7.6233      1.00000
     83      -7.3865      1.00000
     84      -7.3432      1.00000
     85      -7.2156      1.00000
     86      -6.8432      1.00000
     87      -6.8191      1.00000
     88      -6.6403      1.00000
     89      -6.5285      1.00000
     90      -6.3412      1.00000
     91      -6.2724      1.00000
     92      -6.1950      1.00000
     93      -6.1305      1.00000
     94      -6.0212      1.00000
     95      -5.6385      1.00000
     96      -5.5079      1.00000
     97      -5.2972      1.00000
     98      -5.1553      1.00000
     99      -5.0395      1.00000
    100      -4.7269      1.00000
    101      -4.6847      1.00000
    102      -4.3671      1.00000
    103      -4.1866      1.00000
    104      -4.0095      1.00000
    105      -3.8319      1.00000
    106      -3.4836      1.00000
    107      -2.1635      0.00000
    108      -1.3820      0.00000
    109      -1.2356      0.00000
    110      -1.1838      0.00000
    111      -1.0130      0.00000
    112      -0.9559      0.00000
    113      -0.7971      0.00000
    114      -0.7516      0.00000
    115      -0.3615      0.00000
    116       0.2454      0.00000
    117       0.2773      0.00000
    118       0.3658      0.00000
    119       0.6995      0.00000
    120       0.8690      0.00000
    121       0.9661      0.00000
    122       1.1264      0.00000
    123       1.2353      0.00000
    124       1.4558      0.00000
    125       1.5528      0.00000
    126       1.7816      0.00000
    127       1.8509      0.00000
    128       1.8828      0.00000
    129       1.9831      0.00000
    130       2.0292      0.00000
    131       2.1963      0.00000
    132       2.2095      0.00000
    133       2.4006      0.00000
    134       2.4495      0.00000
    135       2.5531      0.00000
    136       2.6582      0.00000
    137       2.6850      0.00000
    138       2.7268      0.00000
    139       2.7661      0.00000
    140       2.8533      0.00000
    141       2.9642      0.00000
    142       3.0786      0.00000
    143       3.1887      0.00000
    144       3.2378      0.00000
    145       3.2529      0.00000
    146       3.2914      0.00000
    147       3.3278      0.00000
    148       3.4794      0.00000
    149       3.5064      0.00000
    150       3.7086      0.00000
    151       3.7197      0.00000
    152       3.7696      0.00000
    153       3.8592      0.00000
    154       3.8728      0.00000
    155       3.8963      0.00000
    156       3.9957      0.00000
    157       3.9971      0.00000
    158       4.0480      0.00000
    159       4.0635      0.00000
    160       4.1052      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3188      1.00000
      2     -21.7607      1.00000
      3     -21.5668      1.00000
      4     -21.5396      1.00000
      5     -21.2041      1.00000
      6     -21.1651      1.00000
      7     -20.9848      1.00000
      8     -20.0978      1.00000
      9     -20.0589      1.00000
     10     -19.5454      1.00000
     11     -19.5252      1.00000
     12     -19.3439      1.00000
     13     -19.0273      1.00000
     14     -18.9872      1.00000
     15     -18.9766      1.00000
     16     -18.9709      1.00000
     17     -18.2951      1.00000
     18     -18.2816      1.00000
     19     -17.9453      1.00000
     20     -16.9998      1.00000
     21     -16.9585      1.00000
     22     -16.8819      1.00000
     23     -16.8691      1.00000
     24     -16.4157      1.00000
     25     -16.3927      1.00000
     26     -15.5395      1.00000
     27     -15.5360      1.00000
     28     -15.1713      1.00000
     29     -15.1698      1.00000
     30     -15.1311      1.00000
     31     -15.0364      1.00000
     32     -15.0010      1.00000
     33     -14.6323      1.00000
     34     -14.6252      1.00000
     35     -13.6619      1.00000
     36     -13.6517      1.00000
     37     -13.1709      1.00000
     38     -12.5734      1.00000
     39     -12.5130      1.00000
     40     -12.3852      1.00000
     41     -12.3847      1.00000
     42     -12.0341      1.00000
     43     -12.0297      1.00000
     44     -11.6536      1.00000
     45     -11.6131      1.00000
     46     -11.2068      1.00000
     47     -11.1566      1.00000
     48     -10.9550      1.00000
     49     -10.9418      1.00000
     50     -10.8591      1.00000
     51     -10.8266      1.00000
     52     -10.6265      1.00000
     53     -10.1478      1.00000
     54     -10.0842      1.00000
     55     -10.0251      1.00000
     56      -9.9462      1.00000
     57      -9.6307      1.00000
     58      -9.6286      1.00000
     59      -9.6023      1.00000
     60      -9.5403      1.00000
     61      -9.5021      1.00000
     62      -9.4776      1.00000
     63      -9.2733      1.00000
     64      -9.2349      1.00000
     65      -9.2068      1.00000
     66      -9.1782      1.00000
     67      -9.0615      1.00000
     68      -9.0466      1.00000
     69      -9.0429      1.00000
     70      -8.8765      1.00000
     71      -8.8072      1.00000
     72      -8.5392      1.00000
     73      -8.5319      1.00000
     74      -8.5042      1.00000
     75      -8.0313      1.00000
     76      -7.8310      1.00000
     77      -7.8019      1.00000
     78      -7.7730      1.00000
     79      -7.7027      1.00000
     80      -7.6840      1.00000
     81      -7.4098      1.00000
     82      -7.2879      1.00000
     83      -7.2515      1.00000
     84      -7.2025      1.00000
     85      -7.0821      1.00000
     86      -7.0724      1.00000
     87      -6.9363      1.00000
     88      -6.7118      1.00000
     89      -6.6739      1.00000
     90      -6.6282      1.00000
     91      -6.5563      1.00000
     92      -6.0719      1.00000
     93      -6.0314      1.00000
     94      -6.0008      1.00000
     95      -5.9355      1.00000
     96      -5.8008      1.00000
     97      -5.1830      1.00000
     98      -4.8952      1.00000
     99      -4.7934      1.00000
    100      -4.6101      1.00000
    101      -4.5114      1.00000
    102      -4.1401      1.00000
    103      -4.0925      1.00000
    104      -3.9308      1.00000
    105      -3.9161      1.00000
    106      -3.8308      1.00000
    107      -1.7509      0.00000
    108      -1.6950      0.00000
    109      -1.4091      0.00000
    110      -1.3712      0.00000
    111      -1.2638      0.00000
    112      -1.2358      0.00000
    113      -0.6200      0.00000
    114      -0.5984      0.00000
    115      -0.1899      0.00000
    116       0.0453      0.00000
    117       0.5831      0.00000
    118       0.7404      0.00000
    119       0.8511      0.00000
    120       0.9286      0.00000
    121       1.1678      0.00000
    122       1.2105      0.00000
    123       1.2469      0.00000
    124       1.4181      0.00000
    125       1.5985      0.00000
    126       1.6368      0.00000
    127       1.7034      0.00000
    128       1.8038      0.00000
    129       1.9230      0.00000
    130       1.9406      0.00000
    131       2.1477      0.00000
    132       2.1712      0.00000
    133       2.2598      0.00000
    134       2.2978      0.00000
    135       2.5406      0.00000
    136       2.5563      0.00000
    137       2.6321      0.00000
    138       2.7591      0.00000
    139       2.8052      0.00000
    140       2.8454      0.00000
    141       2.8935      0.00000
    142       2.9423      0.00000
    143       3.0132      0.00000
    144       3.0258      0.00000
    145       3.0820      0.00000
    146       3.3072      0.00000
    147       3.3685      0.00000
    148       3.4152      0.00000
    149       3.4771      0.00000
    150       3.5977      0.00000
    151       3.6560      0.00000
    152       3.6618      0.00000
    153       3.6776      0.00000
    154       3.8895      0.00000
    155       3.9745      0.00000
    156       4.0236      0.00000
    157       4.0699      0.00000
    158       4.2325      0.00000
    159       4.2545      0.00000
    160       4.2638      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1401      1.00000
      2     -22.0472      1.00000
      3     -21.8851      1.00000
      4     -21.3345      1.00000
      5     -20.9758      1.00000
      6     -20.9464      1.00000
      7     -20.4272      1.00000
      8     -20.3952      1.00000
      9     -20.2151      1.00000
     10     -20.2133      1.00000
     11     -19.8870      1.00000
     12     -19.8230      1.00000
     13     -18.8170      1.00000
     14     -18.7459      1.00000
     15     -18.2649      1.00000
     16     -18.2510      1.00000
     17     -18.0794      1.00000
     18     -18.0729      1.00000
     19     -17.7450      1.00000
     20     -17.7294      1.00000
     21     -17.1945      1.00000
     22     -17.1710      1.00000
     23     -17.0873      1.00000
     24     -17.0672      1.00000
     25     -16.0546      1.00000
     26     -15.8070      1.00000
     27     -15.7975      1.00000
     28     -15.7775      1.00000
     29     -15.1577      1.00000
     30     -14.4846      1.00000
     31     -14.4631      1.00000
     32     -14.2027      1.00000
     33     -13.9168      1.00000
     34     -13.8865      1.00000
     35     -13.7592      1.00000
     36     -13.7386      1.00000
     37     -13.5352      1.00000
     38     -13.5093      1.00000
     39     -13.3008      1.00000
     40     -12.5767      1.00000
     41     -12.1002      1.00000
     42     -12.0761      1.00000
     43     -11.9973      1.00000
     44     -11.9493      1.00000
     45     -11.6060      1.00000
     46     -11.5980      1.00000
     47     -11.0843      1.00000
     48     -11.0604      1.00000
     49     -10.7314      1.00000
     50     -10.6629      1.00000
     51     -10.5615      1.00000
     52     -10.1394      1.00000
     53     -10.1347      1.00000
     54     -10.1001      1.00000
     55      -9.9659      1.00000
     56      -9.9250      1.00000
     57      -9.9207      1.00000
     58      -9.7510      1.00000
     59      -9.7288      1.00000
     60      -9.6970      1.00000
     61      -9.6945      1.00000
     62      -9.4022      1.00000
     63      -9.3879      1.00000
     64      -9.0705      1.00000
     65      -8.9819      1.00000
     66      -8.9813      1.00000
     67      -8.9051      1.00000
     68      -8.8110      1.00000
     69      -8.6499      1.00000
     70      -8.6334      1.00000
     71      -8.5511      1.00000
     72      -8.5009      1.00000
     73      -8.4813      1.00000
     74      -8.3935      1.00000
     75      -8.3813      1.00000
     76      -8.2096      1.00000
     77      -8.1029      1.00000
     78      -8.0067      1.00000
     79      -7.9023      1.00000
     80      -7.8446      1.00000
     81      -7.6213      1.00000
     82      -7.5327      1.00000
     83      -7.4551      1.00000
     84      -7.2482      1.00000
     85      -6.9432      1.00000
     86      -6.8693      1.00000
     87      -6.8098      1.00000
     88      -6.4771      1.00000
     89      -6.4679      1.00000
     90      -6.4076      1.00000
     91      -6.3593      1.00000
     92      -6.1934      1.00000
     93      -5.8575      1.00000
     94      -5.7369      1.00000
     95      -5.7106      1.00000
     96      -5.5244      1.00000
     97      -5.3283      1.00000
     98      -5.1716      1.00000
     99      -5.1669      1.00000
    100      -5.1334      1.00000
    101      -4.6951      1.00000
    102      -4.3474      1.00000
    103      -4.2833      1.00000
    104      -4.0297      1.00000
    105      -3.8334      1.00000
    106      -3.2328      1.00000
    107      -2.4041      0.00000
    108      -1.3437      0.00000
    109      -1.2439      0.00000
    110      -1.1524      0.00000
    111      -1.1078      0.00000
    112      -0.5801      0.00000
    113      -0.5217      0.00000
    114      -0.4336      0.00000
    115      -0.2746      0.00000
    116      -0.0679      0.00000
    117      -0.0098      0.00000
    118       0.0599      0.00000
    119       0.5833      0.00000
    120       0.7115      0.00000
    121       0.8092      0.00000
    122       0.9437      0.00000
    123       1.1828      0.00000
    124       1.5072      0.00000
    125       1.6211      0.00000
    126       1.8558      0.00000
    127       2.0021      0.00000
    128       2.0495      0.00000
    129       2.1097      0.00000
    130       2.1494      0.00000
    131       2.2611      0.00000
    132       2.2863      0.00000
    133       2.3480      0.00000
    134       2.4617      0.00000
    135       2.6094      0.00000
    136       2.6989      0.00000
    137       2.8163      0.00000
    138       2.9147      0.00000
    139       2.9420      0.00000
    140       3.0123      0.00000
    141       3.0460      0.00000
    142       3.1551      0.00000
    143       3.1621      0.00000
    144       3.2213      0.00000
    145       3.2979      0.00000
    146       3.3096      0.00000
    147       3.3521      0.00000
    148       3.3722      0.00000
    149       3.4149      0.00000
    150       3.4413      0.00000
    151       3.5564      0.00000
    152       3.6099      0.00000
    153       3.6994      0.00000
    154       3.7216      0.00000
    155       3.8453      0.00000
    156       3.9024      0.00000
    157       3.9302      0.00000
    158       3.9585      0.00000
    159       4.1422      0.00000
    160       4.1779      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2128      1.00000
      2     -22.0076      1.00000
      3     -21.6455      1.00000
      4     -21.6142      1.00000
      5     -20.9092      1.00000
      6     -20.8684      1.00000
      7     -20.5385      1.00000
      8     -20.5059      1.00000
      9     -20.4990      1.00000
     10     -19.9617      1.00000
     11     -19.4402      1.00000
     12     -19.4182      1.00000
     13     -19.2393      1.00000
     14     -19.2320      1.00000
     15     -18.3755      1.00000
     16     -18.3403      1.00000
     17     -17.8583      1.00000
     18     -17.8421      1.00000
     19     -17.6907      1.00000
     20     -17.6546      1.00000
     21     -17.3718      1.00000
     22     -17.3574      1.00000
     23     -17.2661      1.00000
     24     -16.4133      1.00000
     25     -16.3894      1.00000
     26     -15.9052      1.00000
     27     -15.3425      1.00000
     28     -15.3374      1.00000
     29     -15.0302      1.00000
     30     -15.0202      1.00000
     31     -14.7750      1.00000
     32     -14.7728      1.00000
     33     -14.2379      1.00000
     34     -14.1870      1.00000
     35     -13.3880      1.00000
     36     -13.3334      1.00000
     37     -13.1104      1.00000
     38     -13.1020      1.00000
     39     -12.9178      1.00000
     40     -12.9120      1.00000
     41     -12.5445      1.00000
     42     -12.5365      1.00000
     43     -12.1337      1.00000
     44     -11.5126      1.00000
     45     -11.4679      1.00000
     46     -11.2434      1.00000
     47     -11.2117      1.00000
     48     -11.0870      1.00000
     49     -10.7087      1.00000
     50     -10.5950      1.00000
     51     -10.5090      1.00000
     52     -10.2512      1.00000
     53     -10.2470      1.00000
     54     -10.1213      1.00000
     55     -10.0536      1.00000
     56     -10.0382      1.00000
     57      -9.7858      1.00000
     58      -9.6868      1.00000
     59      -9.6730      1.00000
     60      -9.6375      1.00000
     61      -9.6278      1.00000
     62      -9.5849      1.00000
     63      -9.2960      1.00000
     64      -9.2833      1.00000
     65      -9.2518      1.00000
     66      -9.0682      1.00000
     67      -8.8944      1.00000
     68      -8.8832      1.00000
     69      -8.7179      1.00000
     70      -8.5838      1.00000
     71      -8.5249      1.00000
     72      -8.3508      1.00000
     73      -8.3043      1.00000
     74      -8.2427      1.00000
     75      -8.2373      1.00000
     76      -8.1935      1.00000
     77      -8.1801      1.00000
     78      -8.1683      1.00000
     79      -8.1124      1.00000
     80      -7.6901      1.00000
     81      -7.4147      1.00000
     82      -7.3444      1.00000
     83      -7.2578      1.00000
     84      -7.1690      1.00000
     85      -7.1100      1.00000
     86      -7.0025      1.00000
     87      -6.9035      1.00000
     88      -6.8461      1.00000
     89      -6.5404      1.00000
     90      -6.4990      1.00000
     91      -6.2155      1.00000
     92      -6.2001      1.00000
     93      -5.8939      1.00000
     94      -5.6733      1.00000
     95      -5.6089      1.00000
     96      -5.5798      1.00000
     97      -5.2526      1.00000
     98      -5.2307      1.00000
     99      -5.1642      1.00000
    100      -5.1339      1.00000
    101      -4.5985      1.00000
    102      -4.2530      1.00000
    103      -4.0461      1.00000
    104      -3.8839      1.00000
    105      -3.8451      1.00000
    106      -3.8010      1.00000
    107      -1.8070      0.00000
    108      -1.7795      0.00000
    109      -1.2233      0.00000
    110      -1.1759      0.00000
    111      -0.9733      0.00000
    112      -0.7331      0.00000
    113      -0.6502      0.00000
    114      -0.5934      0.00000
    115      -0.5495      0.00000
    116      -0.1475      0.00000
    117       0.1763      0.00000
    118       0.2883      0.00000
    119       0.7044      0.00000
    120       0.9486      0.00000
    121       1.1683      0.00000
    122       1.2789      0.00000
    123       1.3467      0.00000
    124       1.5106      0.00000
    125       1.6073      0.00000
    126       1.6266      0.00000
    127       1.6921      0.00000
    128       1.7733      0.00000
    129       1.8588      0.00000
    130       2.0772      0.00000
    131       2.1628      0.00000
    132       2.3173      0.00000
    133       2.3901      0.00000
    134       2.4217      0.00000
    135       2.5540      0.00000
    136       2.6232      0.00000
    137       2.6847      0.00000
    138       2.7452      0.00000
    139       2.8128      0.00000
    140       2.9073      0.00000
    141       3.0502      0.00000
    142       3.0602      0.00000
    143       3.1799      0.00000
    144       3.2770      0.00000
    145       3.3766      0.00000
    146       3.4101      0.00000
    147       3.4571      0.00000
    148       3.5463      0.00000
    149       3.5695      0.00000
    150       3.6307      0.00000
    151       3.6608      0.00000
    152       3.7013      0.00000
    153       3.7820      0.00000
    154       3.7958      0.00000
    155       3.8220      0.00000
    156       3.8911      0.00000
    157       3.9027      0.00000
    158       3.9748      0.00000
    159       4.1868      0.00000
    160       4.2291      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    3.9854   -1.1338   -0.1860   17.3799    0.4874   -0.8138    0.7719   -0.4785
x    -3.1239   -0.0256   -0.0216   -0.0249    0.0901   -3.0534    0.0301   -0.0244    0.0085    0.0018
x    -0.0955   -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   204.0401    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   -0.0035    0.0000    0.0004    0.0007    0.0028   -0.0985   -0.0317    0.0618    0.0186
y     0.0233   -3.2429   -0.1782    0.1694   -2.4145   -0.6648
z   204.0401    1.7469    0.2948    0.0872    0.0010    0.0707   -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    0.0987    0.0006   -0.0010   -0.0001   -0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0012   -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  -16.5927
z     0.1411    0.2360   -0.0281    0.0577   -0.0951    0.0006
 total charge-density along one line
x   212.0000  -10.0888    5.9319   -1.9425   -0.4215   19.2937   -0.6614    0.2079    0.0676   -0.1084
x    -2.7039   -0.0094    0.0006   -0.0435    0.0956   -2.3449    0.0476   -0.0345    0.0119    0.0025
x    -0.0856   -0.0053    0.0082   -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  -10.0888    5.9319   -1.9425   -0.4215   19.2937   -0.6614    0.2079    0.0676   -0.1084
y    -2.7039   -0.0094    0.0006   -0.0435    0.0956   -2.3449    0.0476   -0.0345    0.0119    0.0025
y    -0.0856   -0.0053    0.0082   -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 -205.3398  188.9521 -170.2180  154.0237 -140.2253  126.2672 -110.8009   94.5742  -78.9549
z    64.6296  -51.7203   40.4796  -31.3892   24.6229  -19.6860   15.7202  -12.1273    8.8624   -6.1894
z     4.2560   -2.9248    1.9368   -1.1392    0.5330   -0.1485   -0.0645    0.2139   -0.3662    0.4998
z    -0.5561    0.5195   -0.4365    0.3674   -0.3340    0.3152   -0.2838    0.2367   -0.1899    0.1566
z    -0.1346    0.1145   -0.0922    0.0716   -0.0576    0.0499   -0.0441    0.0370   -0.0296    0.0239
z    -0.0207    0.0185   -0.0159    0.0129   -0.0103    0.0084   -0.0068    0.0053   -0.0039    0.0028
z    -0.0020    0.0012   -0.0004   -0.0002    0.0004   -0.0004    0.0004   -0.0006    0.0007   -0.0007
z     0.0004   -0.0002    0.0001    0.0000    0.0000    0.0001   -0.0002    0.0003   -0.0003    0.0003
z    -0.0003    0.0002   -0.0002    0.0001   -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0000   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.940   0.000   0.041   0.000   0.002   0.199   0.000  -0.005
  0.000 -11.269   0.000  -0.100   0.000   0.000   0.239   0.000
  0.041   0.000 -11.246   0.000  -0.023  -0.005   0.000   0.238
  0.000  -0.100   0.000 -11.153   0.000   0.000   0.012   0.000
  0.002   0.000  -0.023   0.000 -10.938   0.000   0.000   0.003
  0.199   0.000  -0.005   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
 -0.005   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
  0.035   0.000   0.101   0.000  -0.020  -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
-10.940   0.000   0.041   0.000   0.002   0.199   0.000  -0.005
  0.000 -11.269   0.000  -0.100   0.000   0.000   0.239   0.000
  0.041   0.000 -11.246   0.000  -0.023  -0.005   0.000   0.238
  0.000  -0.100   0.000 -11.153   0.000   0.000   0.012   0.000
  0.002   0.000  -0.023   0.000 -10.938   0.000   0.000   0.003
  0.199   0.000  -0.005   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
 -0.005   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
  0.035   0.000   0.101   0.000  -0.020  -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   0.021   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   0.258   0.000   0.000   0.000   0.160   0.000   0.106  -0.035
 -0.026   0.000   1.788   0.000   0.018   0.044   0.000   0.358   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   0.258   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   0.190  -0.052   0.000   0.115   0.000   0.000
  0.000   0.594   0.000   0.258   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   0.358   0.000  -0.035   0.101   0.000   0.569   0.000  -0.057   0.705  -0.295   0.000   0.088   0.000   0.000
  0.000   0.258   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  -0.027   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   0.190   0.000   0.705   0.000  -0.108   1.351  -0.433   0.000   0.265   0.000   0.000
  0.025   0.000  -0.044   0.000  -0.015  -0.052   0.000  -0.295   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   0.011  -0.004
 -0.001   0.000   0.096   0.000   0.003   0.115   0.000   0.088   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   0.011   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   8.027   8.944
  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   1.783   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   2.646
 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   1.773   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   2.645
 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   1.773   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   2.646
 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       44.831  89.434   8.027 142.291
 


 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  112.51: CPU time   56.78
    FORLOC:  VPU time    1.24: CPU time    1.24
    FORNL :  VPU time  439.06: CPU time  220.71
    STRESS:  VPU time 1353.41: CPU time  681.60
    FORCOR:  VPU time    8.57: CPU time    8.57
    FORHAR:  VPU time    2.27: CPU time    2.27
    MIXING:  VPU time    0.14: CPU time    0.15
 d Force = 0.1157978E-04[-0.653E-04, 0.885E-04]  d Energy = 0.2588614E-03-0.247E-03
 d Force =-0.6683842E+00[-0.668E+00,-0.669E+00]  d Ewald  = 0.7874515E+00-0.146E+01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.644935 eV

  energy  without entropy=     -471.644935  energy(sigma->0) =     -471.644935
 

  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    40725.47  40741.23 -47424.41     13.65      0.00      0.00
  Hartree  40191.97  40195.01 -39444.54      2.63      0.00      0.00
  E(xc)     -779.75   -779.55   -807.27      0.17      0.00      0.00
  Local   -83210.77 -83223.36  84186.46    -10.90      0.00      0.00
  n-local   -215.76   -215.65   -203.80     -0.16      0.00      0.00
  augment     22.09     20.54     17.34     -1.34      0.00      0.00
  Kinetic   3168.66   3171.48   3582.05     -6.02      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.37     -0.13     -0.24      0.21      0.00      0.00
  in kB       -0.23     -0.08     -0.14      0.13      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
    12.347733029  0.001471498  0.000000000     0.080980956  0.046741578  0.000000000
    -6.172598803 10.694182054  0.000000000    -0.000011143  0.093502356  0.000000000
     0.000000000  0.000000000 19.976541021     0.000000000  0.000000000  0.050058716

  length of vectors
    12.347733117 12.347732819 19.976541021     0.093502355  0.093502357  0.050058716


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.501E-05 -.454E-04 -.961E+03   0.436E-05 -.275E-04 0.969E+03   0.137E-23 0.137E-23 -.780E+01   -.278E-06 0.168E-06 -.335E-02
   -.175E+02 -.303E+02 -.136E+03   0.183E+02 0.318E+02 0.139E+03   -.827E+00 -.143E+01 -.258E+01   0.692E-03 0.120E-02 -.470E-03
   0.175E+02 0.303E+02 -.136E+03   -.183E+02 -.318E+02 0.139E+03   0.827E+00 0.143E+01 -.258E+01   -.692E-03 -.120E-02 -.470E-03
   -.195E+01 0.113E+01 0.178E+02   0.197E+01 -.114E+01 -.178E+02   -.718E-02 0.415E-02 -.356E-02   -.786E-02 0.453E-02 -.645E-03
   0.579E+01 0.688E+01 0.203E+02   -.579E+01 -.692E+01 -.203E+02   0.757E-02 0.319E-01 -.206E-01   -.903E-02 0.526E-02 -.866E-03
   0.113E+02 0.504E+01 0.186E+02   -.113E+02 -.505E+01 -.185E+02   0.242E-01 0.943E-02 -.545E-01   -.756E-02 0.237E-02 0.160E-03
   0.453E+01 -.102E+01 0.163E+02   -.455E+01 0.104E+01 -.163E+02   0.205E-01 -.173E-01 -.201E-02   -.762E-02 0.450E-02 -.675E-03
   -.291E+01 -.239E+01 0.154E+02   0.294E+01 0.240E+01 -.154E+02   -.129E-01 -.155E-01 0.294E-02   -.800E-02 0.581E-02 0.256E-03
   0.617E+00 0.372E+01 0.154E+02   -.611E+00 -.375E+01 -.154E+02   0.695E-02 0.189E-01 0.294E-02   -.904E-02 0.401E-02 0.252E-03
   0.275E+01 0.182E+02 0.249E+02   -.275E+01 -.183E+02 -.249E+02   0.119E-01 0.110E+00 -.652E-02   -.837E-02 0.235E-02 0.653E-03
   0.215E+02 0.226E+02 0.397E+02   -.216E+02 -.229E+02 -.396E+02   0.118E+00 0.226E+00 -.158E-01   -.613E-02 0.643E-02 0.281E-02
   0.265E+02 -.450E+01 0.265E+02   -.268E+02 0.462E+01 -.264E+02   0.238E+00 -.120E+00 -.568E-01   -.743E-02 0.502E-02 -.170E-02
   0.917E+01 -.529E+01 0.155E+02   -.917E+01 0.529E+01 -.155E+02   0.195E-01 -.113E-01 0.523E-02   -.984E-02 0.567E-02 -.936E-03
   0.315E+01 -.342E+01 0.163E+02   -.317E+01 0.342E+01 -.163E+02   0.252E-01 -.910E-02 -.201E-02   -.771E-02 0.435E-02 -.684E-03
   -.604E+01 0.132E+02 0.199E+02   0.605E+01 -.133E+02 -.199E+02   -.461E-02 0.754E-01 -.108E-01   -.736E-02 0.386E-02 -.637E-03
   -.123E+02 0.335E+02 0.454E+02   0.124E+02 -.342E+02 -.457E+02   -.883E-01 0.680E+00 0.348E+00   -.111E-01 0.614E-02 -.739E-03
   0.265E+02 -.153E+02 0.687E+02   -.275E+02 0.159E+02 -.708E+02   0.980E+00 -.566E+00 0.210E+01   -.529E-02 0.305E-02 -.430E-02
   0.172E+02 -.207E+02 0.265E+02   -.174E+02 0.209E+02 -.264E+02   0.223E+00 -.146E+00 -.568E-01   -.806E-02 0.392E-02 -.170E-02
   0.127E+01 -.123E+02 0.186E+02   -.126E+01 0.123E+02 -.185E+02   0.395E-02 -.257E-01 -.545E-01   -.583E-02 0.536E-02 0.155E-03
   -.386E+01 0.155E+01 0.145E+02   0.388E+01 -.156E+01 -.144E+02   -.530E-02 0.193E-02 -.423E-01   -.661E-02 0.509E-02 -.592E-03
   -.182E+02 0.105E+02 0.206E+02   0.183E+02 -.106E+02 -.204E+02   -.626E-01 0.361E-01 -.128E+00   -.866E-02 0.501E-02 -.125E-02
   -.352E+02 -.613E+01 0.454E+02   0.358E+02 0.638E+01 -.457E+02   -.633E+00 -.263E+00 0.348E+00   -.109E-01 0.657E-02 -.736E-03
   -.887E+01 -.299E+02 0.397E+02   0.902E+01 0.301E+02 -.396E+02   -.137E+00 -.215E+00 -.158E-01   -.863E-02 0.209E-02 0.280E-02
   -.306E+01 -.846E+01 0.203E+02   0.310E+01 0.847E+01 -.203E+02   -.238E-01 -.225E-01 -.206E-01   -.907E-02 0.519E-02 -.867E-03
   0.127E+01 -.736E+00 0.155E+02   -.126E+01 0.729E+00 -.154E+02   -.326E-03 0.188E-03 -.270E-01   -.797E-02 0.460E-02 0.683E-03
   -.328E+01 0.257E+01 0.145E+02   0.329E+01 -.258E+01 -.144E+02   -.432E-02 0.362E-02 -.423E-01   -.771E-02 0.318E-02 -.587E-03
   -.144E+02 -.136E+01 0.199E+02   0.145E+02 0.138E+01 -.199E+02   -.676E-01 -.337E-01 -.108E-01   -.702E-02 0.444E-02 -.629E-03
   -.143E+02 -.115E+02 0.249E+02   0.144E+02 0.115E+02 -.249E+02   -.896E-01 -.654E-01 -.652E-02   -.622E-02 0.607E-02 0.656E-03
   0.306E+01 0.846E+01 0.203E+02   -.310E+01 -.847E+01 -.203E+02   0.238E-01 0.225E-01 -.206E-01   0.907E-02 -.519E-02 -.867E-03
   0.143E+02 0.115E+02 0.249E+02   -.144E+02 -.115E+02 -.249E+02   0.896E-01 0.654E-01 -.652E-02   0.622E-02 -.607E-02 0.656E-03
   0.144E+02 0.136E+01 0.199E+02   -.145E+02 -.138E+01 -.199E+02   0.676E-01 0.337E-01 -.108E-01   0.702E-02 -.444E-02 -.629E-03
   0.328E+01 -.257E+01 0.145E+02   -.329E+01 0.258E+01 -.144E+02   0.432E-02 -.362E-02 -.423E-01   0.771E-02 -.318E-02 -.587E-03
   -.127E+01 0.736E+00 0.155E+02   0.126E+01 -.729E+00 -.154E+02   0.326E-03 -.188E-03 -.270E-01   0.797E-02 -.460E-02 0.683E-03
   -.127E+01 0.123E+02 0.186E+02   0.126E+01 -.123E+02 -.185E+02   -.395E-02 0.257E-01 -.545E-01   0.583E-02 -.536E-02 0.155E-03
   0.887E+01 0.299E+02 0.397E+02   -.902E+01 -.301E+02 -.396E+02   0.137E+00 0.215E+00 -.158E-01   0.863E-02 -.209E-02 0.280E-02
   0.352E+02 0.613E+01 0.454E+02   -.358E+02 -.638E+01 -.457E+02   0.633E+00 0.263E+00 0.348E+00   0.109E-01 -.657E-02 -.736E-03
   0.182E+02 -.105E+02 0.206E+02   -.183E+02 0.106E+02 -.204E+02   0.626E-01 -.361E-01 -.128E+00   0.866E-02 -.501E-02 -.125E-02
   0.386E+01 -.155E+01 0.145E+02   -.388E+01 0.156E+01 -.144E+02   0.530E-02 -.193E-02 -.423E-01   0.661E-02 -.509E-02 -.592E-03
   -.315E+01 0.342E+01 0.163E+02   0.317E+01 -.342E+01 -.163E+02   -.252E-01 0.910E-02 -.201E-02   0.771E-02 -.435E-02 -.684E-03
   -.172E+02 0.207E+02 0.265E+02   0.174E+02 -.209E+02 -.264E+02   -.223E+00 0.146E+00 -.568E-01   0.806E-02 -.392E-02 -.170E-02
   -.265E+02 0.153E+02 0.687E+02   0.275E+02 -.159E+02 -.708E+02   -.980E+00 0.566E+00 0.210E+01   0.529E-02 -.305E-02 -.430E-02
   0.123E+02 -.335E+02 0.454E+02   -.124E+02 0.342E+02 -.457E+02   0.883E-01 -.680E+00 0.348E+00   0.111E-01 -.614E-02 -.739E-03
   0.604E+01 -.132E+02 0.199E+02   -.605E+01 0.133E+02 -.199E+02   0.461E-02 -.754E-01 -.108E-01   0.736E-02 -.386E-02 -.637E-03
   -.617E+00 -.372E+01 0.154E+02   0.611E+00 0.375E+01 -.154E+02   -.695E-02 -.189E-01 0.294E-02   0.904E-02 -.401E-02 0.252E-03
   -.917E+01 0.529E+01 0.155E+02   0.917E+01 -.529E+01 -.155E+02   -.195E-01 0.113E-01 0.523E-02   0.984E-02 -.567E-02 -.936E-03
   -.265E+02 0.450E+01 0.265E+02   0.268E+02 -.462E+01 -.264E+02   -.238E+00 0.120E+00 -.568E-01   0.743E-02 -.502E-02 -.170E-02
   -.215E+02 -.226E+02 0.397E+02   0.216E+02 0.229E+02 -.396E+02   -.118E+00 -.226E+00 -.158E-01   0.613E-02 -.643E-02 0.281E-02
   -.275E+01 -.182E+02 0.249E+02   0.275E+01 0.183E+02 -.249E+02   -.119E-01 -.110E+00 -.652E-02   0.837E-02 -.235E-02 0.653E-03
   0.195E+01 -.113E+01 0.178E+02   -.197E+01 0.114E+01 -.178E+02   0.718E-02 -.415E-02 -.356E-02   0.786E-02 -.453E-02 -.645E-03
   0.291E+01 0.239E+01 0.154E+02   -.294E+01 -.240E+01 -.154E+02   0.129E-01 0.155E-01 0.294E-02   0.800E-02 -.581E-02 0.256E-03
   -.453E+01 0.102E+01 0.163E+02   0.455E+01 -.104E+01 -.163E+02   -.205E-01 0.173E-01 -.201E-02   0.762E-02 -.450E-02 -.675E-03
   -.113E+02 -.504E+01 0.186E+02   0.113E+02 0.505E+01 -.185E+02   -.242E-01 -.943E-02 -.545E-01   0.756E-02 -.237E-02 0.160E-03
   -.579E+01 -.688E+01 0.203E+02   0.579E+01 0.692E+01 -.203E+02   -.757E-02 -.319E-01 -.206E-01   0.903E-02 -.526E-02 -.866E-03
 -----------------------------------------------------------------------------------------------
   -.183E-02 0.314E-03 0.856E+01   0.256E-12 0.711E-14 -.888E-13   0.231E-15 0.340E-15 -.851E+01   -.220E-06 0.150E-06 -.225E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85288      6.06067     12.31851         0.000000      0.000000      0.026524
      2.25911      6.76429     13.63911         0.008030      0.013908      0.013205
      1.44664      5.35705     13.63911        -0.008030     -0.013908      0.013205
      0.00054     -0.00031      9.93636         0.004308     -0.002487     -0.002238
     11.11244      2.13919      9.93893         0.004031     -0.004417     -0.004106
      9.87693      4.27866      9.95272         0.000403     -0.000323     -0.000468
      8.64348      6.41799      9.95309         0.002148     -0.000395     -0.001054
     -4.93649      8.55543      9.94632         0.003757     -0.002310      0.000424
      2.47027     -0.00112      9.94632         0.003879     -0.002099      0.000424
      1.23470      2.13607      9.95217         0.004681      0.001372     -0.000639
     -0.00400      4.27491      9.98302         0.003538     -0.006040      0.001844
     -1.23854      6.41592      9.99021         0.003464     -0.002968     -0.000416
     -2.46731      8.55493      9.96117         0.005133     -0.002964     -0.000631
      4.93874      0.00118      9.95309         0.001416     -0.001663     -0.001054
      3.70492      2.13641      9.96148         0.001843      0.000028     -0.001217
      2.47070      4.26292     10.02871         0.006453     -0.000975     -0.001163
      1.22824      6.42131     10.10207         0.007582     -0.004378     -0.008572
     -0.00049      8.56030      9.99021         0.004303     -0.001516     -0.000416
      7.40818      0.00265      9.95272         0.000481     -0.000188     -0.000468
      6.17354      2.13994      9.95336         0.003438     -0.002811     -0.001342
      4.94040      4.27809      9.98414         0.005022     -0.002899     -0.000242
      3.71869      6.42450     10.02871         0.004071     -0.005101     -0.001163
      2.47096      8.56166      9.98302         0.007000     -0.000044      0.001844
      9.87877      0.00241      9.93893         0.005841     -0.001283     -0.004106
      8.64287      2.14048      9.94153         0.003699     -0.002136      0.001491
      7.40867      4.27925      9.95336         0.004154     -0.001572     -0.001342
      6.17741      6.41889      9.96148         0.000897     -0.001610     -0.001217
      4.94260      8.55833      9.95217         0.001152     -0.004740     -0.000639
     -0.00041      1.42475      9.93893        -0.005841      0.001283     -0.004106
     -1.23684      3.56302      9.95217        -0.001152      0.004740     -0.000639
     -2.47165      5.70246      9.96148        -0.000897      0.001610     -0.001217
     -3.70291      7.84210      9.95336        -0.004154      0.001572     -0.001342
     -4.93711      9.98087      9.94153        -0.003699      0.002136      0.001491
      2.47018      1.42452      9.95272        -0.000481      0.000188     -0.000468
      1.23480      3.55969      9.98302        -0.007000      0.000044      0.001844
     -0.01293      5.69685     10.02871        -0.004071      0.005101     -0.001163
     -1.23465      7.84326      9.98414        -0.005022      0.002899     -0.000242
     -2.46778      9.98141      9.95336        -0.003438      0.002811     -0.001342
      4.93961      1.42598      9.95309        -0.001416      0.001663     -0.001054
      3.70624      3.56105      9.99021        -0.004303      0.001516     -0.000416
      2.47752      5.70004     10.10207        -0.007582      0.004378     -0.008572
      1.23506      7.85843     10.02871        -0.006453      0.000975     -0.001163
      0.00084      9.98494      9.96148        -0.001843     -0.000028     -0.001217
      7.40808      1.42829      9.94632        -0.003879      0.002099      0.000424
      6.17307      3.56642      9.96117        -0.005133      0.002964     -0.000631
      4.94430      5.70543      9.99021        -0.003464      0.002968     -0.000416
      3.70976      7.84644      9.98302        -0.003538      0.006040      0.001844
      2.47105      9.98528      9.95217        -0.004681     -0.001372     -0.000639
      9.87782      1.42748      9.93636        -0.004308      0.002487     -0.002238
      8.64225      3.56592      9.94632        -0.003757      0.002310      0.000424
      7.41001      5.70483      9.95309        -0.002148      0.000395     -0.001054
      6.17656      7.84416      9.95272        -0.000403      0.000323     -0.000468
      4.94105      9.98363      9.93893        -0.004031      0.004417     -0.004106
 -----------------------------------------------------------------------------------
    total drift:                               -0.001833      0.000314      0.031421


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




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


    WAVPRE:  VPU time    1.95: CPU time    1.96
    FEWALD:  VPU time    0.02: CPU time    0.01
    GENKIN:  VPU time    1.35: CPU time    1.35
    ORTHCH:  VPU time  182.59: CPU time   91.68
     LOOP+:  VPU time 5571.48: CPU time 2870.12


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


    POTLOK:  VPU time    9.16: CPU time    9.03
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1525.86: CPU time  791.54
 BZINTS: Fermi energy: -3.154449;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  115.27: CPU time   58.16
    MIXING:  VPU time    0.14: CPU time    0.15
    ------------------------------------------
      LOOP:  VPU time 1650.83: CPU time  859.25

 eigenvalue-minimisations  :  4752
 total energy-change (2. order) :-0.4716449E+03  (-0.2299412E-04)
 number of electron  212.0000067 magnetization    0.0000000
 augmentation part     7.9600014 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.68838E-03    rms(broyden)= 0.68817E-03
  rms(prec ) = 0.73379E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34042.20548961
  -1/2 Hartree   DENC   =    -40942.36360520
  -V(xc)+E(xc)   XCENC  =       726.60667520
  PAW double counting   =      4092.81324557    -4131.19832948
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.14824015
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64491086 eV

  energy without entropy =     -471.64491086  energy(sigma->0) =     -471.64491086


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




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


    POTLOK:  VPU time    9.13: CPU time    9.13
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1386.10: CPU time  716.60
 BZINTS: Fermi energy: -3.154078;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1395.63: CPU time  726.10

 eigenvalue-minimisations  :  4096
 total energy-change (2. order) :-0.9212381E-06  (-0.1654115E-05)
 number of electron  212.0000067 magnetization    0.0000000
 augmentation part     7.9600014 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34042.20548961
  -1/2 Hartree   DENC   =    -40942.36108345
  -V(xc)+E(xc)   XCENC  =       726.60646163
  PAW double counting   =      4092.80151429    -4131.18665127
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.15049618
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64491178 eV

  energy without entropy =     -471.64491178  energy(sigma->0) =     -471.64491178


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




 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 -58.5423       2 -39.9887       3 -39.9887       4 -58.2439       5 -58.2483
       6 -58.2555       7 -58.2464       8 -58.2446       9 -58.2446      10 -58.2605
      11 -58.3151      12 -58.2919      13 -58.2496      14 -58.2464      15 -58.2573
      16 -58.4376      17 -58.7318      18 -58.2919      19 -58.2555      20 -58.2500
      21 -58.2770      22 -58.4376      23 -58.3151      24 -58.2484      25 -58.2433
      26 -58.2500      27 -58.2573      28 -58.2605      29 -58.2482      30 -58.2604
      31 -58.2572      32 -58.2499      33 -58.2432      34 -58.2554      35 -58.3150
      36 -58.4376      37 -58.2769      38 -58.2499      39 -58.2463      40 -58.2918
      41 -58.7317      42 -58.4376      43 -58.2572      44 -58.2445      45 -58.2495
      46 -58.2918      47 -58.3150      48 -58.2604      49 -58.2438      50 -58.2445
      51 -58.2463      52 -58.2554      53 -58.2483
 
 
 
 E-fermi :  -3.1541     XC(G=0):  -2.3446     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3555      1.00000
      2     -21.5360      1.00000
      3     -21.4060      1.00000
      4     -21.4051      1.00000
      5     -21.3739      1.00000
      6     -21.3646      1.00000
      7     -21.3573      1.00000
      8     -19.6457      1.00000
      9     -19.5711      1.00000
     10     -19.5643      1.00000
     11     -19.5577      1.00000
     12     -19.5392      1.00000
     13     -19.5365      1.00000
     14     -18.7275      1.00000
     15     -18.6785      1.00000
     16     -18.6714      1.00000
     17     -18.6578      1.00000
     18     -18.6423      1.00000
     19     -18.6403      1.00000
     20     -16.5861      1.00000
     21     -16.5255      1.00000
     22     -16.5232      1.00000
     23     -16.5106      1.00000
     24     -16.4858      1.00000
     25     -16.4842      1.00000
     26     -15.5579      1.00000
     27     -15.5254      1.00000
     28     -15.5246      1.00000
     29     -15.4990      1.00000
     30     -15.4938      1.00000
     31     -15.4881      1.00000
     32     -14.2059      1.00000
     33     -14.1797      1.00000
     34     -14.1667      1.00000
     35     -14.1644      1.00000
     36     -14.1588      1.00000
     37     -14.1476      1.00000
     38     -11.8848      1.00000
     39     -11.8075      1.00000
     40     -11.7918      1.00000
     41     -11.7911      1.00000
     42     -11.7881      1.00000
     43     -11.7824      1.00000
     44     -11.7042      1.00000
     45     -11.6971      1.00000
     46     -11.6716      1.00000
     47     -11.6574      1.00000
     48     -11.6567      1.00000
     49     -11.6494      1.00000
     50     -10.6758      1.00000
     51     -10.3284      1.00000
     52     -10.3206      1.00000
     53     -10.3049      1.00000
     54     -10.3031      1.00000
     55     -10.2902      1.00000
     56     -10.2771      1.00000
     57      -9.9296      1.00000
     58      -9.3724      1.00000
     59      -9.3586      1.00000
     60      -9.2994      1.00000
     61      -9.2911      1.00000
     62      -9.2842      1.00000
     63      -9.0919      1.00000
     64      -9.0550      1.00000
     65      -9.0484      1.00000
     66      -9.0267      1.00000
     67      -9.0056      1.00000
     68      -9.0008      1.00000
     69      -8.9993      1.00000
     70      -8.9949      1.00000
     71      -8.9912      1.00000
     72      -8.9717      1.00000
     73      -8.9643      1.00000
     74      -8.9530      1.00000
     75      -8.5081      1.00000
     76      -7.5127      1.00000
     77      -7.4107      1.00000
     78      -7.4100      1.00000
     79      -7.4012      1.00000
     80      -7.3830      1.00000
     81      -7.3630      1.00000
     82      -7.3408      1.00000
     83      -7.3080      1.00000
     84      -7.2693      1.00000
     85      -7.2054      1.00000
     86      -7.1791      1.00000
     87      -7.1788      1.00000
     88      -7.0719      1.00000
     89      -6.5094      1.00000
     90      -6.4607      1.00000
     91      -6.3546      1.00000
     92      -6.2925      1.00000
     93      -6.2869      1.00000
     94      -6.2858      1.00000
     95      -5.8959      1.00000
     96      -5.8848      1.00000
     97      -5.0526      1.00000
     98      -4.9365      1.00000
     99      -4.5394      1.00000
    100      -4.3400      1.00000
    101      -4.3172      1.00000
    102      -4.3164      1.00000
    103      -4.1154      1.00000
    104      -3.9127      1.00000
    105      -3.9014      1.00000
    106      -3.8366      1.00000
    107      -1.6809      0.00000
    108      -1.6679      0.00000
    109      -1.5364      0.00000
    110      -1.5345      0.00000
    111      -1.5215      0.00000
    112      -1.5087      0.00000
    113      -0.5816      0.00000
    114       0.1344      0.00000
    115       0.2055      0.00000
    116       0.3254      0.00000
    117       0.3270      0.00000
    118       0.3343      0.00000
    119       0.4980      0.00000
    120       0.5960      0.00000
    121       1.2602      0.00000
    122       1.2750      0.00000
    123       1.5263      0.00000
    124       1.7952      0.00000
    125       1.8036      0.00000
    126       1.8069      0.00000
    127       1.8116      0.00000
    128       1.9455      0.00000
    129       1.9794      0.00000
    130       2.0322      0.00000
    131       2.0456      0.00000
    132       2.0509      0.00000
    133       2.0555      0.00000
    134       2.0605      0.00000
    135       2.3067      0.00000
    136       2.3235      0.00000
    137       2.6106      0.00000
    138       2.6184      0.00000
    139       2.6461      0.00000
    140       2.7238      0.00000
    141       2.8615      0.00000
    142       3.0250      0.00000
    143       3.0545      0.00000
    144       3.0838      0.00000
    145       3.0969      0.00000
    146       3.0988      0.00000
    147       3.1002      0.00000
    148       3.2306      0.00000
    149       3.4492      0.00000
    150       3.5387      0.00000
    151       3.7841      0.00000
    152       3.9404      0.00000
    153       3.9416      0.00000
    154       3.9516      0.00000
    155       3.9555      0.00000
    156       3.9972      0.00000
    157       4.1809      0.00000
    158       4.2679      0.00000
    159       4.2877      0.00000
    160       4.2878      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3189      1.00000
      2     -21.7604      1.00000
      3     -21.5696      1.00000
      4     -21.5368      1.00000
      5     -21.2068      1.00000
      6     -21.1618      1.00000
      7     -20.9862      1.00000
      8     -20.1009      1.00000
      9     -20.0566      1.00000
     10     -19.5454      1.00000
     11     -19.5205      1.00000
     12     -19.3483      1.00000
     13     -19.0241      1.00000
     14     -18.9885      1.00000
     15     -18.9805      1.00000
     16     -18.9681      1.00000
     17     -18.2966      1.00000
     18     -18.2770      1.00000
     19     -17.9513      1.00000
     20     -17.0094      1.00000
     21     -16.9589      1.00000
     22     -16.8780      1.00000
     23     -16.8675      1.00000
     24     -16.4041      1.00000
     25     -16.3889      1.00000
     26     -15.5510      1.00000
     27     -15.5349      1.00000
     28     -15.1972      1.00000
     29     -15.1683      1.00000
     30     -15.1141      1.00000
     31     -15.0269      1.00000
     32     -15.0021      1.00000
     33     -14.6353      1.00000
     34     -14.6235      1.00000
     35     -13.6666      1.00000
     36     -13.6511      1.00000
     37     -13.1692      1.00000
     38     -12.5508      1.00000
     39     -12.5171      1.00000
     40     -12.3903      1.00000
     41     -12.3772      1.00000
     42     -12.0570      1.00000
     43     -12.0336      1.00000
     44     -11.6585      1.00000
     45     -11.6159      1.00000
     46     -11.1803      1.00000
     47     -11.1562      1.00000
     48     -10.9648      1.00000
     49     -10.9403      1.00000
     50     -10.8732      1.00000
     51     -10.8362      1.00000
     52     -10.6034      1.00000
     53     -10.0931      1.00000
     54     -10.0885      1.00000
     55     -10.0466      1.00000
     56      -9.9712      1.00000
     57      -9.6538      1.00000
     58      -9.6291      1.00000
     59      -9.5910      1.00000
     60      -9.5294      1.00000
     61      -9.5094      1.00000
     62      -9.4779      1.00000
     63      -9.2648      1.00000
     64      -9.2412      1.00000
     65      -9.2203      1.00000
     66      -9.1649      1.00000
     67      -9.0678      1.00000
     68      -9.0469      1.00000
     69      -9.0397      1.00000
     70      -8.8824      1.00000
     71      -8.8051      1.00000
     72      -8.5800      1.00000
     73      -8.5220      1.00000
     74      -8.4647      1.00000
     75      -8.0351      1.00000
     76      -7.8125      1.00000
     77      -7.8065      1.00000
     78      -7.7919      1.00000
     79      -7.6995      1.00000
     80      -7.6903      1.00000
     81      -7.3611      1.00000
     82      -7.2743      1.00000
     83      -7.2634      1.00000
     84      -7.2145      1.00000
     85      -7.1718      1.00000
     86      -7.0076      1.00000
     87      -6.9463      1.00000
     88      -6.7469      1.00000
     89      -6.6718      1.00000
     90      -6.5931      1.00000
     91      -6.5585      1.00000
     92      -6.0505      1.00000
     93      -6.0473      1.00000
     94      -6.0213      1.00000
     95      -5.9576      1.00000
     96      -5.7358      1.00000
     97      -5.1589      1.00000
     98      -4.9898      1.00000
     99      -4.7185      1.00000
    100      -4.6102      1.00000
    101      -4.4402      1.00000
    102      -4.3737      1.00000
    103      -4.1224      1.00000
    104      -3.8681      1.00000
    105      -3.8362      1.00000
    106      -3.7905      1.00000
    107      -1.7851      0.00000
    108      -1.7379      0.00000
    109      -1.3938      0.00000
    110      -1.3456      0.00000
    111      -1.2635      0.00000
    112      -1.2255      0.00000
    113      -0.7435      0.00000
    114      -0.3778      0.00000
    115      -0.2194      0.00000
    116      -0.0163      0.00000
    117       0.5909      0.00000
    118       0.7368      0.00000
    119       0.7640      0.00000
    120       1.0501      0.00000
    121       1.1417      0.00000
    122       1.2512      0.00000
    123       1.2727      0.00000
    124       1.4150      0.00000
    125       1.4793      0.00000
    126       1.5854      0.00000
    127       1.7571      0.00000
    128       1.8401      0.00000
    129       1.8962      0.00000
    130       1.9594      0.00000
    131       2.1077      0.00000
    132       2.2349      0.00000
    133       2.2491      0.00000
    134       2.2951      0.00000
    135       2.4870      0.00000
    136       2.6132      0.00000
    137       2.6371      0.00000
    138       2.7659      0.00000
    139       2.7963      0.00000
    140       2.8560      0.00000
    141       2.8665      0.00000
    142       2.8923      0.00000
    143       2.9593      0.00000
    144       3.0810      0.00000
    145       3.2808      0.00000
    146       3.3048      0.00000
    147       3.3736      0.00000
    148       3.4075      0.00000
    149       3.4658      0.00000
    150       3.5844      0.00000
    151       3.6356      0.00000
    152       3.6678      0.00000
    153       3.7051      0.00000
    154       3.9048      0.00000
    155       3.9409      0.00000
    156       3.9814      0.00000
    157       4.0838      0.00000
    158       4.2018      0.00000
    159       4.2411      0.00000
    160       4.2972      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2133      1.00000
      2     -22.0069      1.00000
      3     -21.6483      1.00000
      4     -21.6112      1.00000
      5     -20.9122      1.00000
      6     -20.8656      1.00000
      7     -20.5449      1.00000
      8     -20.5054      1.00000
      9     -20.4949      1.00000
     10     -19.9627      1.00000
     11     -19.4417      1.00000
     12     -19.4142      1.00000
     13     -19.2407      1.00000
     14     -19.2261      1.00000
     15     -18.3835      1.00000
     16     -18.3391      1.00000
     17     -17.8594      1.00000
     18     -17.8379      1.00000
     19     -17.6974      1.00000
     20     -17.6545      1.00000
     21     -17.3715      1.00000
     22     -17.3550      1.00000
     23     -17.2738      1.00000
     24     -16.4004      1.00000
     25     -16.3854      1.00000
     26     -15.8957      1.00000
     27     -15.3517      1.00000
     28     -15.3363      1.00000
     29     -15.0338      1.00000
     30     -15.0200      1.00000
     31     -14.7993      1.00000
     32     -14.7742      1.00000
     33     -14.2214      1.00000
     34     -14.1892      1.00000
     35     -13.3707      1.00000
     36     -13.3366      1.00000
     37     -13.1193      1.00000
     38     -13.1016      1.00000
     39     -12.9155      1.00000
     40     -12.9020      1.00000
     41     -12.5563      1.00000
     42     -12.5380      1.00000
     43     -12.1329      1.00000
     44     -11.5215      1.00000
     45     -11.4728      1.00000
     46     -11.2531      1.00000
     47     -11.2188      1.00000
     48     -11.0795      1.00000
     49     -10.6609      1.00000
     50     -10.5882      1.00000
     51     -10.5236      1.00000
     52     -10.2579      1.00000
     53     -10.2481      1.00000
     54     -10.1225      1.00000
     55     -10.0481      1.00000
     56     -10.0401      1.00000
     57      -9.7702      1.00000
     58      -9.7056      1.00000
     59      -9.6789      1.00000
     60      -9.6293      1.00000
     61      -9.6264      1.00000
     62      -9.5870      1.00000
     63      -9.2944      1.00000
     64      -9.2850      1.00000
     65      -9.2524      1.00000
     66      -9.0911      1.00000
     67      -8.8972      1.00000
     68      -8.8825      1.00000
     69      -8.7242      1.00000
     70      -8.5907      1.00000
     71      -8.5131      1.00000
     72      -8.3305      1.00000
     73      -8.3022      1.00000
     74      -8.2641      1.00000
     75      -8.2320      1.00000
     76      -8.1945      1.00000
     77      -8.1852      1.00000
     78      -8.1699      1.00000
     79      -8.1060      1.00000
     80      -7.6884      1.00000
     81      -7.3546      1.00000
     82      -7.3096      1.00000
     83      -7.2637      1.00000
     84      -7.1873      1.00000
     85      -7.1240      1.00000
     86      -7.0762      1.00000
     87      -6.9064      1.00000
     88      -6.8818      1.00000
     89      -6.5485      1.00000
     90      -6.4924      1.00000
     91      -6.2090      1.00000
     92      -6.0700      1.00000
     93      -5.9420      1.00000
     94      -5.7158      1.00000
     95      -5.6324      1.00000
     96      -5.4521      1.00000
     97      -5.3050      1.00000
     98      -5.2336      1.00000
     99      -5.1515      1.00000
    100      -5.1509      1.00000
    101      -4.5246      1.00000
    102      -4.4706      1.00000
    103      -4.1436      1.00000
    104      -3.8393      1.00000
    105      -3.7572      1.00000
    106      -3.6790      1.00000
    107      -1.8709      0.00000
    108      -1.8234      0.00000
    109      -1.2760      0.00000
    110      -1.0356      0.00000
    111      -1.0113      0.00000
    112      -0.7113      0.00000
    113      -0.6394      0.00000
    114      -0.5879      0.00000
    115      -0.5456      0.00000
    116      -0.1987      0.00000
    117       0.2529      0.00000
    118       0.2789      0.00000
    119       0.7610      0.00000
    120       0.9462      0.00000
    121       1.1328      0.00000
    122       1.2263      0.00000
    123       1.3211      0.00000
    124       1.4134      0.00000
    125       1.6005      0.00000
    126       1.6339      0.00000
    127       1.7003      0.00000
    128       1.8249      0.00000
    129       1.9190      0.00000
    130       2.0112      0.00000
    131       2.1072      0.00000
    132       2.3295      0.00000
    133       2.3958      0.00000
    134       2.4328      0.00000
    135       2.5410      0.00000
    136       2.6338      0.00000
    137       2.7553      0.00000
    138       2.8201      0.00000
    139       2.8327      0.00000
    140       2.8870      0.00000
    141       3.0400      0.00000
    142       3.0892      0.00000
    143       3.1858      0.00000
    144       3.2384      0.00000
    145       3.3863      0.00000
    146       3.4215      0.00000
    147       3.4796      0.00000
    148       3.5723      0.00000
    149       3.5988      0.00000
    150       3.6273      0.00000
    151       3.6509      0.00000
    152       3.7422      0.00000
    153       3.7712      0.00000
    154       3.7864      0.00000
    155       3.8061      0.00000
    156       3.8962      0.00000
    157       3.9759      0.00000
    158       4.0088      0.00000
    159       4.1748      0.00000
    160       4.2381      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2471      1.00000
      2     -21.8927      1.00000
      3     -21.8220      1.00000
      4     -21.3107      1.00000
      5     -21.2804      1.00000
      6     -20.7697      1.00000
      7     -20.7036      1.00000
      8     -20.5553      1.00000
      9     -20.0077      1.00000
     10     -20.0004      1.00000
     11     -19.6470      1.00000
     12     -19.6226      1.00000
     13     -18.9285      1.00000
     14     -18.9201      1.00000
     15     -18.5693      1.00000
     16     -18.5555      1.00000
     17     -18.3932      1.00000
     18     -17.6147      1.00000
     19     -17.5580      1.00000
     20     -17.5528      1.00000
     21     -17.5112      1.00000
     22     -17.0548      1.00000
     23     -17.0372      1.00000
     24     -16.8900      1.00000
     25     -15.9283      1.00000
     26     -15.8664      1.00000
     27     -15.5156      1.00000
     28     -15.5146      1.00000
     29     -15.2279      1.00000
     30     -14.7936      1.00000
     31     -14.7662      1.00000
     32     -14.5150      1.00000
     33     -14.4704      1.00000
     34     -14.1007      1.00000
     35     -14.0893      1.00000
     36     -13.0753      1.00000
     37     -13.0325      1.00000
     38     -12.9663      1.00000
     39     -12.9542      1.00000
     40     -12.6448      1.00000
     41     -12.6382      1.00000
     42     -12.2731      1.00000
     43     -12.2415      1.00000
     44     -11.5871      1.00000
     45     -11.5595      1.00000
     46     -11.5054      1.00000
     47     -10.9046      1.00000
     48     -10.8498      1.00000
     49     -10.6232      1.00000
     50     -10.5588      1.00000
     51     -10.4840      1.00000
     52     -10.4324      1.00000
     53     -10.4224      1.00000
     54     -10.3704      1.00000
     55     -10.2937      1.00000
     56     -10.0656      1.00000
     57      -9.8323      1.00000
     58      -9.5487      1.00000
     59      -9.4880      1.00000
     60      -9.4730      1.00000
     61      -9.3451      1.00000
     62      -9.3299      1.00000
     63      -9.3101      1.00000
     64      -9.3077      1.00000
     65      -9.2136      1.00000
     66      -9.1112      1.00000
     67      -9.0797      1.00000
     68      -9.0485      1.00000
     69      -8.8501      1.00000
     70      -8.7917      1.00000
     71      -8.7732      1.00000
     72      -8.5263      1.00000
     73      -8.4763      1.00000
     74      -8.2253      1.00000
     75      -8.1098      1.00000
     76      -8.0983      1.00000
     77      -7.8080      1.00000
     78      -7.7836      1.00000
     79      -7.7813      1.00000
     80      -7.6738      1.00000
     81      -7.6313      1.00000
     82      -7.6300      1.00000
     83      -7.3989      1.00000
     84      -7.3241      1.00000
     85      -7.1963      1.00000
     86      -6.8387      1.00000
     87      -6.8284      1.00000
     88      -6.6627      1.00000
     89      -6.5377      1.00000
     90      -6.3445      1.00000
     91      -6.3072      1.00000
     92      -6.1833      1.00000
     93      -6.1466      1.00000
     94      -5.9767      1.00000
     95      -5.5717      1.00000
     96      -5.4256      1.00000
     97      -5.2581      1.00000
     98      -5.2529      1.00000
     99      -5.1486      1.00000
    100      -4.6953      1.00000
    101      -4.6643      1.00000
    102      -4.3488      1.00000
    103      -4.3170      1.00000
    104      -3.9650      1.00000
    105      -3.8330      1.00000
    106      -3.3886      1.00000
    107      -2.2200      0.00000
    108      -1.3766      0.00000
    109      -1.2855      0.00000
    110      -1.1726      0.00000
    111      -1.0770      0.00000
    112      -0.8935      0.00000
    113      -0.7675      0.00000
    114      -0.7569      0.00000
    115      -0.2139      0.00000
    116       0.1141      0.00000
    117       0.2643      0.00000
    118       0.3462      0.00000
    119       0.7345      0.00000
    120       0.9037      0.00000
    121       0.9721      0.00000
    122       1.0951      0.00000
    123       1.2098      0.00000
    124       1.5299      0.00000
    125       1.5622      0.00000
    126       1.7157      0.00000
    127       1.8388      0.00000
    128       1.8625      0.00000
    129       1.9699      0.00000
    130       1.9977      0.00000
    131       2.1593      0.00000
    132       2.2675      0.00000
    133       2.4547      0.00000
    134       2.4671      0.00000
    135       2.5076      0.00000
    136       2.6664      0.00000
    137       2.6868      0.00000
    138       2.7324      0.00000
    139       2.7426      0.00000
    140       2.8922      0.00000
    141       3.0218      0.00000
    142       3.0806      0.00000
    143       3.1940      0.00000
    144       3.2540      0.00000
    145       3.2571      0.00000
    146       3.2683      0.00000
    147       3.3575      0.00000
    148       3.4820      0.00000
    149       3.5284      0.00000
    150       3.6976      0.00000
    151       3.7550      0.00000
    152       3.7701      0.00000
    153       3.8340      0.00000
    154       3.8784      0.00000
    155       3.9414      0.00000
    156       3.9827      0.00000
    157       4.0221      0.00000
    158       4.0478      0.00000
    159       4.0550      0.00000
    160       4.1232      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1412      1.00000
      2     -22.0458      1.00000
      3     -21.8856      1.00000
      4     -21.3337      1.00000
      5     -20.9809      1.00000
      6     -20.9423      1.00000
      7     -20.4326      1.00000
      8     -20.3898      1.00000
      9     -20.2257      1.00000
     10     -20.2042      1.00000
     11     -19.8882      1.00000
     12     -19.8204      1.00000
     13     -18.8140      1.00000
     14     -18.7427      1.00000
     15     -18.2894      1.00000
     16     -18.2357      1.00000
     17     -18.0851      1.00000
     18     -18.0648      1.00000
     19     -17.7609      1.00000
     20     -17.7184      1.00000
     21     -17.1884      1.00000
     22     -17.1688      1.00000
     23     -17.0991      1.00000
     24     -17.0628      1.00000
     25     -16.0371      1.00000
     26     -15.8221      1.00000
     27     -15.7988      1.00000
     28     -15.7637      1.00000
     29     -15.1733      1.00000
     30     -14.4904      1.00000
     31     -14.4575      1.00000
     32     -14.2174      1.00000
     33     -13.8948      1.00000
     34     -13.8895      1.00000
     35     -13.7556      1.00000
     36     -13.7350      1.00000
     37     -13.5511      1.00000
     38     -13.5023      1.00000
     39     -13.2991      1.00000
     40     -12.5636      1.00000
     41     -12.1249      1.00000
     42     -12.0653      1.00000
     43     -12.0093      1.00000
     44     -11.9505      1.00000
     45     -11.6109      1.00000
     46     -11.5877      1.00000
     47     -11.0850      1.00000
     48     -11.0512      1.00000
     49     -10.7533      1.00000
     50     -10.6628      1.00000
     51     -10.5278      1.00000
     52     -10.1489      1.00000
     53     -10.1375      1.00000
     54     -10.0953      1.00000
     55      -9.9525      1.00000
     56      -9.9475      1.00000
     57      -9.9164      1.00000
     58      -9.7369      1.00000
     59      -9.7314      1.00000
     60      -9.6999      1.00000
     61      -9.6903      1.00000
     62      -9.4306      1.00000
     63      -9.3624      1.00000
     64      -9.0879      1.00000
     65      -9.0068      1.00000
     66      -8.9738      1.00000
     67      -8.8873      1.00000
     68      -8.8104      1.00000
     69      -8.6583      1.00000
     70      -8.6350      1.00000
     71      -8.5805      1.00000
     72      -8.4774      1.00000
     73      -8.4669      1.00000
     74      -8.3977      1.00000
     75      -8.3937      1.00000
     76      -8.1831      1.00000
     77      -8.1155      1.00000
     78      -7.9763      1.00000
     79      -7.9168      1.00000
     80      -7.8465      1.00000
     81      -7.6185      1.00000
     82      -7.5296      1.00000
     83      -7.4682      1.00000
     84      -7.2518      1.00000
     85      -6.9345      1.00000
     86      -6.8575      1.00000
     87      -6.8107      1.00000
     88      -6.5754      1.00000
     89      -6.4664      1.00000
     90      -6.4195      1.00000
     91      -6.3557      1.00000
     92      -6.0524      1.00000
     93      -5.8778      1.00000
     94      -5.7525      1.00000
     95      -5.7210      1.00000
     96      -5.4772      1.00000
     97      -5.3459      1.00000
     98      -5.1797      1.00000
     99      -5.1556      1.00000
    100      -5.1539      1.00000
    101      -4.7077      1.00000
    102      -4.4409      1.00000
    103      -4.2571      1.00000
    104      -3.9966      1.00000
    105      -3.8318      1.00000
    106      -3.1553      1.00000
    107      -2.4626      0.00000
    108      -1.3779      0.00000
    109      -1.2409      0.00000
    110      -1.1456      0.00000
    111      -1.1140      0.00000
    112      -0.5619      0.00000
    113      -0.4342      0.00000
    114      -0.4288      0.00000
    115      -0.3095      0.00000
    116      -0.1889      0.00000
    117       0.0622      0.00000
    118       0.1184      0.00000
    119       0.5408      0.00000
    120       0.6845      0.00000
    121       0.8718      0.00000
    122       0.9687      0.00000
    123       1.1118      0.00000
    124       1.4962      0.00000
    125       1.6628      0.00000
    126       1.8016      0.00000
    127       1.8760      0.00000
    128       2.0922      0.00000
    129       2.1379      0.00000
    130       2.1970      0.00000
    131       2.2146      0.00000
    132       2.3403      0.00000
    133       2.3616      0.00000
    134       2.4884      0.00000
    135       2.5813      0.00000
    136       2.6679      0.00000
    137       2.8787      0.00000
    138       2.9379      0.00000
    139       2.9660      0.00000
    140       2.9889      0.00000
    141       3.0399      0.00000
    142       3.1501      0.00000
    143       3.1809      0.00000
    144       3.2433      0.00000
    145       3.2902      0.00000
    146       3.3321      0.00000
    147       3.3500      0.00000
    148       3.3796      0.00000
    149       3.4112      0.00000
    150       3.4958      0.00000
    151       3.5521      0.00000
    152       3.6317      0.00000
    153       3.6938      0.00000
    154       3.7091      0.00000
    155       3.7247      0.00000
    156       3.9201      0.00000
    157       3.9335      0.00000
    158       4.0579      0.00000
    159       4.0882      0.00000
    160       4.2000      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2469      1.00000
      2     -21.8942      1.00000
      3     -21.8205      1.00000
      4     -21.3154      1.00000
      5     -21.2764      1.00000
      6     -20.7706      1.00000
      7     -20.7015      1.00000
      8     -20.5536      1.00000
      9     -20.0221      1.00000
     10     -19.9895      1.00000
     11     -19.6494      1.00000
     12     -19.6182      1.00000
     13     -18.9427      1.00000
     14     -18.9077      1.00000
     15     -18.5833      1.00000
     16     -18.5458      1.00000
     17     -18.3911      1.00000
     18     -17.6014      1.00000
     19     -17.5695      1.00000
     20     -17.5402      1.00000
     21     -17.5073      1.00000
     22     -17.0739      1.00000
     23     -17.0267      1.00000
     24     -16.8995      1.00000
     25     -15.9450      1.00000
     26     -15.8503      1.00000
     27     -15.5324      1.00000
     28     -15.5057      1.00000
     29     -15.2084      1.00000
     30     -14.8132      1.00000
     31     -14.7605      1.00000
     32     -14.5088      1.00000
     33     -14.4668      1.00000
     34     -14.0957      1.00000
     35     -14.0924      1.00000
     36     -13.1044      1.00000
     37     -13.0287      1.00000
     38     -12.9556      1.00000
     39     -12.9486      1.00000
     40     -12.6551      1.00000
     41     -12.6264      1.00000
     42     -12.2734      1.00000
     43     -12.2465      1.00000
     44     -11.5730      1.00000
     45     -11.5530      1.00000
     46     -11.4998      1.00000
     47     -10.8775      1.00000
     48     -10.8691      1.00000
     49     -10.6846      1.00000
     50     -10.5241      1.00000
     51     -10.5199      1.00000
     52     -10.4332      1.00000
     53     -10.4149      1.00000
     54     -10.3692      1.00000
     55     -10.2868      1.00000
     56     -10.0608      1.00000
     57      -9.8311      1.00000
     58      -9.5589      1.00000
     59      -9.4833      1.00000
     60      -9.4455      1.00000
     61      -9.3559      1.00000
     62      -9.3379      1.00000
     63      -9.3066      1.00000
     64      -9.3013      1.00000
     65      -9.2055      1.00000
     66      -9.0990      1.00000
     67      -9.0677      1.00000
     68      -9.0486      1.00000
     69      -8.8536      1.00000
     70      -8.7969      1.00000
     71      -8.7774      1.00000
     72      -8.5263      1.00000
     73      -8.4980      1.00000
     74      -8.2303      1.00000
     75      -8.1295      1.00000
     76      -8.0923      1.00000
     77      -7.8061      1.00000
     78      -7.7665      1.00000
     79      -7.7382      1.00000
     80      -7.7044      1.00000
     81      -7.6347      1.00000
     82      -7.6240      1.00000
     83      -7.3867      1.00000
     84      -7.3432      1.00000
     85      -7.2162      1.00000
     86      -6.8429      1.00000
     87      -6.8200      1.00000
     88      -6.6403      1.00000
     89      -6.5286      1.00000
     90      -6.3405      1.00000
     91      -6.2726      1.00000
     92      -6.1951      1.00000
     93      -6.1313      1.00000
     94      -6.0212      1.00000
     95      -5.6384      1.00000
     96      -5.5080      1.00000
     97      -5.2971      1.00000
     98      -5.1553      1.00000
     99      -5.0397      1.00000
    100      -4.7269      1.00000
    101      -4.6849      1.00000
    102      -4.3677      1.00000
    103      -4.1866      1.00000
    104      -4.0097      1.00000
    105      -3.8313      1.00000
    106      -3.4836      1.00000
    107      -2.1636      0.00000
    108      -1.3825      0.00000
    109      -1.2354      0.00000
    110      -1.1840      0.00000
    111      -1.0134      0.00000
    112      -0.9553      0.00000
    113      -0.7969      0.00000
    114      -0.7515      0.00000
    115      -0.3622      0.00000
    116       0.2452      0.00000
    117       0.2770      0.00000
    118       0.3657      0.00000
    119       0.7008      0.00000
    120       0.8694      0.00000
    121       0.9660      0.00000
    122       1.1275      0.00000
    123       1.2364      0.00000
    124       1.4566      0.00000
    125       1.5550      0.00000
    126       1.7823      0.00000
    127       1.8515      0.00000
    128       1.8835      0.00000
    129       1.9854      0.00000
    130       2.0313      0.00000
    131       2.1974      0.00000
    132       2.2111      0.00000
    133       2.4023      0.00000
    134       2.4521      0.00000
    135       2.5544      0.00000
    136       2.6582      0.00000
    137       2.6850      0.00000
    138       2.7285      0.00000
    139       2.7666      0.00000
    140       2.8547      0.00000
    141       2.9656      0.00000
    142       3.0799      0.00000
    143       3.1896      0.00000
    144       3.2400      0.00000
    145       3.2557      0.00000
    146       3.2933      0.00000
    147       3.3290      0.00000
    148       3.4817      0.00000
    149       3.5086      0.00000
    150       3.7124      0.00000
    151       3.7224      0.00000
    152       3.7701      0.00000
    153       3.8611      0.00000
    154       3.8743      0.00000
    155       3.8972      0.00000
    156       3.9968      0.00000
    157       3.9982      0.00000
    158       4.0497      0.00000
    159       4.0642      0.00000
    160       4.1012      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3188      1.00000
      2     -21.7607      1.00000
      3     -21.5669      1.00000
      4     -21.5397      1.00000
      5     -21.2042      1.00000
      6     -21.1652      1.00000
      7     -20.9847      1.00000
      8     -20.0978      1.00000
      9     -20.0589      1.00000
     10     -19.5457      1.00000
     11     -19.5255      1.00000
     12     -19.3438      1.00000
     13     -19.0274      1.00000
     14     -18.9873      1.00000
     15     -18.9767      1.00000
     16     -18.9709      1.00000
     17     -18.2953      1.00000
     18     -18.2817      1.00000
     19     -17.9451      1.00000
     20     -16.9998      1.00000
     21     -16.9585      1.00000
     22     -16.8819      1.00000
     23     -16.8690      1.00000
     24     -16.4159      1.00000
     25     -16.3928      1.00000
     26     -15.5403      1.00000
     27     -15.5368      1.00000
     28     -15.1719      1.00000
     29     -15.1704      1.00000
     30     -15.1301      1.00000
     31     -15.0354      1.00000
     32     -15.0000      1.00000
     33     -14.6330      1.00000
     34     -14.6258      1.00000
     35     -13.6625      1.00000
     36     -13.6523      1.00000
     37     -13.1699      1.00000
     38     -12.5728      1.00000
     39     -12.5124      1.00000
     40     -12.3847      1.00000
     41     -12.3842      1.00000
     42     -12.0349      1.00000
     43     -12.0305      1.00000
     44     -11.6550      1.00000
     45     -11.6144      1.00000
     46     -11.2069      1.00000
     47     -11.1567      1.00000
     48     -10.9545      1.00000
     49     -10.9412      1.00000
     50     -10.8602      1.00000
     51     -10.8276      1.00000
     52     -10.6266      1.00000
     53     -10.1473      1.00000
     54     -10.0834      1.00000
     55     -10.0241      1.00000
     56      -9.9457      1.00000
     57      -9.6308      1.00000
     58      -9.6287      1.00000
     59      -9.6023      1.00000
     60      -9.5408      1.00000
     61      -9.5027      1.00000
     62      -9.4779      1.00000
     63      -9.2730      1.00000
     64      -9.2343      1.00000
     65      -9.2064      1.00000
     66      -9.1798      1.00000
     67      -9.0615      1.00000
     68      -9.0460      1.00000
     69      -9.0423      1.00000
     70      -8.8764      1.00000
     71      -8.8089      1.00000
     72      -8.5396      1.00000
     73      -8.5329      1.00000
     74      -8.5048      1.00000
     75      -8.0300      1.00000
     76      -7.8320      1.00000
     77      -7.8019      1.00000
     78      -7.7735      1.00000
     79      -7.7022      1.00000
     80      -7.6835      1.00000
     81      -7.4104      1.00000
     82      -7.2873      1.00000
     83      -7.2507      1.00000
     84      -7.2026      1.00000
     85      -7.0820      1.00000
     86      -7.0728      1.00000
     87      -6.9379      1.00000
     88      -6.7117      1.00000
     89      -6.6740      1.00000
     90      -6.6283      1.00000
     91      -6.5562      1.00000
     92      -6.0711      1.00000
     93      -6.0308      1.00000
     94      -6.0016      1.00000
     95      -5.9364      1.00000
     96      -5.8007      1.00000
     97      -5.1831      1.00000
     98      -4.8956      1.00000
     99      -4.7935      1.00000
    100      -4.6101      1.00000
    101      -4.5118      1.00000
    102      -4.1402      1.00000
    103      -4.0925      1.00000
    104      -3.9309      1.00000
    105      -3.9164      1.00000
    106      -3.8303      1.00000
    107      -1.7511      0.00000
    108      -1.6952      0.00000
    109      -1.4096      0.00000
    110      -1.3709      0.00000
    111      -1.2639      0.00000
    112      -1.2353      0.00000
    113      -0.6208      0.00000
    114      -0.5976      0.00000
    115      -0.1902      0.00000
    116       0.0447      0.00000
    117       0.5841      0.00000
    118       0.7403      0.00000
    119       0.8507      0.00000
    120       0.9290      0.00000
    121       1.1681      0.00000
    122       1.2115      0.00000
    123       1.2477      0.00000
    124       1.4197      0.00000
    125       1.5996      0.00000
    126       1.6384      0.00000
    127       1.7046      0.00000
    128       1.8054      0.00000
    129       1.9230      0.00000
    130       1.9403      0.00000
    131       2.1495      0.00000
    132       2.1726      0.00000
    133       2.2611      0.00000
    134       2.2999      0.00000
    135       2.5419      0.00000
    136       2.5583      0.00000
    137       2.6341      0.00000
    138       2.7601      0.00000
    139       2.8075      0.00000
    140       2.8466      0.00000
    141       2.8938      0.00000
    142       2.9435      0.00000
    143       3.0149      0.00000
    144       3.0271      0.00000
    145       3.0855      0.00000
    146       3.3111      0.00000
    147       3.3697      0.00000
    148       3.4172      0.00000
    149       3.4779      0.00000
    150       3.5997      0.00000
    151       3.6556      0.00000
    152       3.6636      0.00000
    153       3.6781      0.00000
    154       3.8907      0.00000
    155       3.9780      0.00000
    156       4.0259      0.00000
    157       4.0724      0.00000
    158       4.2330      0.00000
    159       4.2550      0.00000
    160       4.2674      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1402      1.00000
      2     -22.0472      1.00000
      3     -21.8852      1.00000
      4     -21.3347      1.00000
      5     -20.9759      1.00000
      6     -20.9464      1.00000
      7     -20.4273      1.00000
      8     -20.3952      1.00000
      9     -20.2150      1.00000
     10     -20.2132      1.00000
     11     -19.8872      1.00000
     12     -19.8232      1.00000
     13     -18.8173      1.00000
     14     -18.7462      1.00000
     15     -18.2648      1.00000
     16     -18.2509      1.00000
     17     -18.0795      1.00000
     18     -18.0729      1.00000
     19     -17.7449      1.00000
     20     -17.7293      1.00000
     21     -17.1946      1.00000
     22     -17.1710      1.00000
     23     -17.0875      1.00000
     24     -17.0675      1.00000
     25     -16.0532      1.00000
     26     -15.8078      1.00000
     27     -15.7983      1.00000
     28     -15.7775      1.00000
     29     -15.1582      1.00000
     30     -14.4854      1.00000
     31     -14.4638      1.00000
     32     -14.2033      1.00000
     33     -13.9160      1.00000
     34     -13.8856      1.00000
     35     -13.7586      1.00000
     36     -13.7380      1.00000
     37     -13.5357      1.00000
     38     -13.5097      1.00000
     39     -13.3005      1.00000
     40     -12.5760      1.00000
     41     -12.1008      1.00000
     42     -12.0767      1.00000
     43     -11.9983      1.00000
     44     -11.9503      1.00000
     45     -11.6049      1.00000
     46     -11.5969      1.00000
     47     -11.0849      1.00000
     48     -11.0610      1.00000
     49     -10.7328      1.00000
     50     -10.6643      1.00000
     51     -10.5618      1.00000
     52     -10.1388      1.00000
     53     -10.1341      1.00000
     54     -10.1000      1.00000
     55      -9.9656      1.00000
     56      -9.9244      1.00000
     57      -9.9205      1.00000
     58      -9.7506      1.00000
     59      -9.7281      1.00000
     60      -9.6968      1.00000
     61      -9.6945      1.00000
     62      -9.4022      1.00000
     63      -9.3896      1.00000
     64      -9.0704      1.00000
     65      -8.9814      1.00000
     66      -8.9806      1.00000
     67      -8.9061      1.00000
     68      -8.8111      1.00000
     69      -8.6495      1.00000
     70      -8.6328      1.00000
     71      -8.5510      1.00000
     72      -8.5024      1.00000
     73      -8.4827      1.00000
     74      -8.3938      1.00000
     75      -8.3816      1.00000
     76      -8.2095      1.00000
     77      -8.1029      1.00000
     78      -8.0066      1.00000
     79      -7.9020      1.00000
     80      -7.8438      1.00000
     81      -7.6215      1.00000
     82      -7.5329      1.00000
     83      -7.4564      1.00000
     84      -7.2490      1.00000
     85      -6.9421      1.00000
     86      -6.8682      1.00000
     87      -6.8086      1.00000
     88      -6.4775      1.00000
     89      -6.4691      1.00000
     90      -6.4089      1.00000
     91      -6.3594      1.00000
     92      -6.1934      1.00000
     93      -5.8575      1.00000
     94      -5.7369      1.00000
     95      -5.7106      1.00000
     96      -5.5244      1.00000
     97      -5.3284      1.00000
     98      -5.1715      1.00000
     99      -5.1669      1.00000
    100      -5.1334      1.00000
    101      -4.6955      1.00000
    102      -4.3481      1.00000
    103      -4.2830      1.00000
    104      -4.0300      1.00000
    105      -3.8328      1.00000
    106      -3.2328      1.00000
    107      -2.4042      0.00000
    108      -1.3443      0.00000
    109      -1.2431      0.00000
    110      -1.1526      0.00000
    111      -1.1081      0.00000
    112      -0.5808      0.00000
    113      -0.5216      0.00000
    114      -0.4334      0.00000
    115      -0.2749      0.00000
    116      -0.0680      0.00000
    117      -0.0098      0.00000
    118       0.0605      0.00000
    119       0.5831      0.00000
    120       0.7112      0.00000
    121       0.8104      0.00000
    122       0.9449      0.00000
    123       1.1839      0.00000
    124       1.5091      0.00000
    125       1.6218      0.00000
    126       1.8580      0.00000
    127       2.0040      0.00000
    128       2.0510      0.00000
    129       2.1118      0.00000
    130       2.1513      0.00000
    131       2.2631      0.00000
    132       2.2862      0.00000
    133       2.3482      0.00000
    134       2.4632      0.00000
    135       2.6100      0.00000
    136       2.7004      0.00000
    137       2.8182      0.00000
    138       2.9154      0.00000
    139       2.9428      0.00000
    140       3.0117      0.00000
    141       3.0470      0.00000
    142       3.1565      0.00000
    143       3.1628      0.00000
    144       3.2223      0.00000
    145       3.2989      0.00000
    146       3.3107      0.00000
    147       3.3529      0.00000
    148       3.3733      0.00000
    149       3.4159      0.00000
    150       3.4468      0.00000
    151       3.5609      0.00000
    152       3.6118      0.00000
    153       3.7013      0.00000
    154       3.7250      0.00000
    155       3.8470      0.00000
    156       3.9031      0.00000
    157       3.9315      0.00000
    158       3.9598      0.00000
    159       4.1453      0.00000
    160       4.1801      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2128      1.00000
      2     -22.0076      1.00000
      3     -21.6456      1.00000
      4     -21.6143      1.00000
      5     -20.9092      1.00000
      6     -20.8684      1.00000
      7     -20.5386      1.00000
      8     -20.5058      1.00000
      9     -20.4990      1.00000
     10     -19.9615      1.00000
     11     -19.4405      1.00000
     12     -19.4184      1.00000
     13     -19.2395      1.00000
     14     -19.2323      1.00000
     15     -18.3754      1.00000
     16     -18.3402      1.00000
     17     -17.8584      1.00000
     18     -17.8422      1.00000
     19     -17.6906      1.00000
     20     -17.6545      1.00000
     21     -17.3718      1.00000
     22     -17.3575      1.00000
     23     -17.2662      1.00000
     24     -16.4135      1.00000
     25     -16.3896      1.00000
     26     -15.9040      1.00000
     27     -15.3433      1.00000
     28     -15.3382      1.00000
     29     -15.0309      1.00000
     30     -15.0209      1.00000
     31     -14.7755      1.00000
     32     -14.7733      1.00000
     33     -14.2371      1.00000
     34     -14.1861      1.00000
     35     -13.3872      1.00000
     36     -13.3325      1.00000
     37     -13.1109      1.00000
     38     -13.1025      1.00000
     39     -12.9172      1.00000
     40     -12.9114      1.00000
     41     -12.5452      1.00000
     42     -12.5371      1.00000
     43     -12.1326      1.00000
     44     -11.5140      1.00000
     45     -11.4692      1.00000
     46     -11.2446      1.00000
     47     -11.2129      1.00000
     48     -11.0859      1.00000
     49     -10.7089      1.00000
     50     -10.5954      1.00000
     51     -10.5093      1.00000
     52     -10.2506      1.00000
     53     -10.2464      1.00000
     54     -10.1212      1.00000
     55     -10.0542      1.00000
     56     -10.0386      1.00000
     57      -9.7857      1.00000
     58      -9.6861      1.00000
     59      -9.6725      1.00000
     60      -9.6368      1.00000
     61      -9.6271      1.00000
     62      -9.5849      1.00000
     63      -9.2954      1.00000
     64      -9.2826      1.00000
     65      -9.2535      1.00000
     66      -9.0682      1.00000
     67      -8.8941      1.00000
     68      -8.8830      1.00000
     69      -8.7179      1.00000
     70      -8.5838      1.00000
     71      -8.5265      1.00000
     72      -8.3507      1.00000
     73      -8.3044      1.00000
     74      -8.2429      1.00000
     75      -8.2372      1.00000
     76      -8.1944      1.00000
     77      -8.1810      1.00000
     78      -8.1695      1.00000
     79      -8.1125      1.00000
     80      -7.6900      1.00000
     81      -7.4152      1.00000
     82      -7.3434      1.00000
     83      -7.2569      1.00000
     84      -7.1677      1.00000
     85      -7.1100      1.00000
     86      -7.0027      1.00000
     87      -6.9036      1.00000
     88      -6.8463      1.00000
     89      -6.5421      1.00000
     90      -6.4976      1.00000
     91      -6.2155      1.00000
     92      -6.2018      1.00000
     93      -5.8938      1.00000
     94      -5.6734      1.00000
     95      -5.6088      1.00000
     96      -5.5799      1.00000
     97      -5.2526      1.00000
     98      -5.2306      1.00000
     99      -5.1642      1.00000
    100      -5.1339      1.00000
    101      -4.5994      1.00000
    102      -4.2528      1.00000
    103      -4.0465      1.00000
    104      -3.8840      1.00000
    105      -3.8444      1.00000
    106      -3.8012      1.00000
    107      -1.8072      0.00000
    108      -1.7796      0.00000
    109      -1.2240      0.00000
    110      -1.1751      0.00000
    111      -0.9736      0.00000
    112      -0.7335      0.00000
    113      -0.6500      0.00000
    114      -0.5935      0.00000
    115      -0.5491      0.00000
    116      -0.1482      0.00000
    117       0.1766      0.00000
    118       0.2886      0.00000
    119       0.7057      0.00000
    120       0.9498      0.00000
    121       1.1682      0.00000
    122       1.2785      0.00000
    123       1.3477      0.00000
    124       1.5119      0.00000
    125       1.6081      0.00000
    126       1.6272      0.00000
    127       1.6921      0.00000
    128       1.7745      0.00000
    129       1.8605      0.00000
    130       2.0786      0.00000
    131       2.1655      0.00000
    132       2.3188      0.00000
    133       2.3923      0.00000
    134       2.4233      0.00000
    135       2.5558      0.00000
    136       2.6241      0.00000
    137       2.6857      0.00000
    138       2.7465      0.00000
    139       2.8153      0.00000
    140       2.9078      0.00000
    141       3.0500      0.00000
    142       3.0613      0.00000
    143       3.1819      0.00000
    144       3.2797      0.00000
    145       3.3780      0.00000
    146       3.4128      0.00000
    147       3.4593      0.00000
    148       3.5450      0.00000
    149       3.5711      0.00000
    150       3.6329      0.00000
    151       3.6626      0.00000
    152       3.7014      0.00000
    153       3.7852      0.00000
    154       3.7977      0.00000
    155       3.8240      0.00000
    156       3.8924      0.00000
    157       3.9064      0.00000
    158       3.9788      0.00000
    159       4.1878      0.00000
    160       4.2324      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3555      1.00000
      2     -21.5360      1.00000
      3     -21.4060      1.00000
      4     -21.4051      1.00000
      5     -21.3739      1.00000
      6     -21.3646      1.00000
      7     -21.3573      1.00000
      8     -19.6457      1.00000
      9     -19.5711      1.00000
     10     -19.5643      1.00000
     11     -19.5577      1.00000
     12     -19.5392      1.00000
     13     -19.5365      1.00000
     14     -18.7275      1.00000
     15     -18.6785      1.00000
     16     -18.6714      1.00000
     17     -18.6578      1.00000
     18     -18.6423      1.00000
     19     -18.6403      1.00000
     20     -16.5861      1.00000
     21     -16.5255      1.00000
     22     -16.5232      1.00000
     23     -16.5106      1.00000
     24     -16.4858      1.00000
     25     -16.4842      1.00000
     26     -15.5579      1.00000
     27     -15.5254      1.00000
     28     -15.5246      1.00000
     29     -15.4990      1.00000
     30     -15.4938      1.00000
     31     -15.4881      1.00000
     32     -14.2059      1.00000
     33     -14.1797      1.00000
     34     -14.1667      1.00000
     35     -14.1644      1.00000
     36     -14.1588      1.00000
     37     -14.1476      1.00000
     38     -11.8848      1.00000
     39     -11.8075      1.00000
     40     -11.7918      1.00000
     41     -11.7911      1.00000
     42     -11.7881      1.00000
     43     -11.7824      1.00000
     44     -11.7042      1.00000
     45     -11.6971      1.00000
     46     -11.6716      1.00000
     47     -11.6574      1.00000
     48     -11.6567      1.00000
     49     -11.6494      1.00000
     50     -10.6758      1.00000
     51     -10.3284      1.00000
     52     -10.3206      1.00000
     53     -10.3049      1.00000
     54     -10.3031      1.00000
     55     -10.2902      1.00000
     56     -10.2771      1.00000
     57      -9.9296      1.00000
     58      -9.3724      1.00000
     59      -9.3586      1.00000
     60      -9.2994      1.00000
     61      -9.2911      1.00000
     62      -9.2842      1.00000
     63      -9.0919      1.00000
     64      -9.0550      1.00000
     65      -9.0484      1.00000
     66      -9.0267      1.00000
     67      -9.0056      1.00000
     68      -9.0008      1.00000
     69      -8.9993      1.00000
     70      -8.9949      1.00000
     71      -8.9912      1.00000
     72      -8.9717      1.00000
     73      -8.9643      1.00000
     74      -8.9530      1.00000
     75      -8.5081      1.00000
     76      -7.5127      1.00000
     77      -7.4107      1.00000
     78      -7.4100      1.00000
     79      -7.4012      1.00000
     80      -7.3830      1.00000
     81      -7.3630      1.00000
     82      -7.3408      1.00000
     83      -7.3080      1.00000
     84      -7.2693      1.00000
     85      -7.2054      1.00000
     86      -7.1791      1.00000
     87      -7.1788      1.00000
     88      -7.0719      1.00000
     89      -6.5094      1.00000
     90      -6.4607      1.00000
     91      -6.3546      1.00000
     92      -6.2925      1.00000
     93      -6.2869      1.00000
     94      -6.2858      1.00000
     95      -5.8959      1.00000
     96      -5.8848      1.00000
     97      -5.0526      1.00000
     98      -4.9365      1.00000
     99      -4.5394      1.00000
    100      -4.3400      1.00000
    101      -4.3172      1.00000
    102      -4.3164      1.00000
    103      -4.1154      1.00000
    104      -3.9127      1.00000
    105      -3.9014      1.00000
    106      -3.8366      1.00000
    107      -1.6809      0.00000
    108      -1.6679      0.00000
    109      -1.5364      0.00000
    110      -1.5345      0.00000
    111      -1.5215      0.00000
    112      -1.5087      0.00000
    113      -0.5816      0.00000
    114       0.1344      0.00000
    115       0.2055      0.00000
    116       0.3254      0.00000
    117       0.3270      0.00000
    118       0.3343      0.00000
    119       0.4980      0.00000
    120       0.5960      0.00000
    121       1.2602      0.00000
    122       1.2750      0.00000
    123       1.5263      0.00000
    124       1.7952      0.00000
    125       1.8036      0.00000
    126       1.8069      0.00000
    127       1.8116      0.00000
    128       1.9455      0.00000
    129       1.9794      0.00000
    130       2.0322      0.00000
    131       2.0456      0.00000
    132       2.0509      0.00000
    133       2.0555      0.00000
    134       2.0605      0.00000
    135       2.3067      0.00000
    136       2.3235      0.00000
    137       2.6106      0.00000
    138       2.6184      0.00000
    139       2.6461      0.00000
    140       2.7238      0.00000
    141       2.8615      0.00000
    142       3.0250      0.00000
    143       3.0545      0.00000
    144       3.0838      0.00000
    145       3.0969      0.00000
    146       3.0988      0.00000
    147       3.1002      0.00000
    148       3.2306      0.00000
    149       3.4492      0.00000
    150       3.5387      0.00000
    151       3.7841      0.00000
    152       3.9404      0.00000
    153       3.9416      0.00000
    154       3.9516      0.00000
    155       3.9555      0.00000
    156       3.9972      0.00000
    157       4.1809      0.00000
    158       4.2679      0.00000
    159       4.2877      0.00000
    160       4.2878      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3189      1.00000
      2     -21.7604      1.00000
      3     -21.5696      1.00000
      4     -21.5368      1.00000
      5     -21.2068      1.00000
      6     -21.1618      1.00000
      7     -20.9862      1.00000
      8     -20.1009      1.00000
      9     -20.0566      1.00000
     10     -19.5454      1.00000
     11     -19.5205      1.00000
     12     -19.3483      1.00000
     13     -19.0241      1.00000
     14     -18.9885      1.00000
     15     -18.9805      1.00000
     16     -18.9681      1.00000
     17     -18.2966      1.00000
     18     -18.2770      1.00000
     19     -17.9513      1.00000
     20     -17.0094      1.00000
     21     -16.9589      1.00000
     22     -16.8780      1.00000
     23     -16.8675      1.00000
     24     -16.4041      1.00000
     25     -16.3889      1.00000
     26     -15.5510      1.00000
     27     -15.5349      1.00000
     28     -15.1972      1.00000
     29     -15.1683      1.00000
     30     -15.1141      1.00000
     31     -15.0269      1.00000
     32     -15.0021      1.00000
     33     -14.6353      1.00000
     34     -14.6235      1.00000
     35     -13.6666      1.00000
     36     -13.6511      1.00000
     37     -13.1692      1.00000
     38     -12.5508      1.00000
     39     -12.5171      1.00000
     40     -12.3903      1.00000
     41     -12.3772      1.00000
     42     -12.0570      1.00000
     43     -12.0336      1.00000
     44     -11.6585      1.00000
     45     -11.6159      1.00000
     46     -11.1803      1.00000
     47     -11.1562      1.00000
     48     -10.9648      1.00000
     49     -10.9403      1.00000
     50     -10.8732      1.00000
     51     -10.8362      1.00000
     52     -10.6034      1.00000
     53     -10.0931      1.00000
     54     -10.0885      1.00000
     55     -10.0466      1.00000
     56      -9.9712      1.00000
     57      -9.6538      1.00000
     58      -9.6291      1.00000
     59      -9.5910      1.00000
     60      -9.5294      1.00000
     61      -9.5094      1.00000
     62      -9.4779      1.00000
     63      -9.2648      1.00000
     64      -9.2412      1.00000
     65      -9.2203      1.00000
     66      -9.1649      1.00000
     67      -9.0678      1.00000
     68      -9.0469      1.00000
     69      -9.0397      1.00000
     70      -8.8824      1.00000
     71      -8.8051      1.00000
     72      -8.5800      1.00000
     73      -8.5220      1.00000
     74      -8.4647      1.00000
     75      -8.0351      1.00000
     76      -7.8125      1.00000
     77      -7.8065      1.00000
     78      -7.7919      1.00000
     79      -7.6995      1.00000
     80      -7.6903      1.00000
     81      -7.3611      1.00000
     82      -7.2743      1.00000
     83      -7.2634      1.00000
     84      -7.2145      1.00000
     85      -7.1718      1.00000
     86      -7.0076      1.00000
     87      -6.9463      1.00000
     88      -6.7469      1.00000
     89      -6.6718      1.00000
     90      -6.5931      1.00000
     91      -6.5585      1.00000
     92      -6.0505      1.00000
     93      -6.0473      1.00000
     94      -6.0213      1.00000
     95      -5.9576      1.00000
     96      -5.7358      1.00000
     97      -5.1589      1.00000
     98      -4.9898      1.00000
     99      -4.7185      1.00000
    100      -4.6102      1.00000
    101      -4.4402      1.00000
    102      -4.3737      1.00000
    103      -4.1224      1.00000
    104      -3.8681      1.00000
    105      -3.8362      1.00000
    106      -3.7905      1.00000
    107      -1.7851      0.00000
    108      -1.7379      0.00000
    109      -1.3938      0.00000
    110      -1.3456      0.00000
    111      -1.2635      0.00000
    112      -1.2255      0.00000
    113      -0.7435      0.00000
    114      -0.3778      0.00000
    115      -0.2194      0.00000
    116      -0.0163      0.00000
    117       0.5909      0.00000
    118       0.7368      0.00000
    119       0.7640      0.00000
    120       1.0501      0.00000
    121       1.1417      0.00000
    122       1.2512      0.00000
    123       1.2727      0.00000
    124       1.4150      0.00000
    125       1.4793      0.00000
    126       1.5854      0.00000
    127       1.7571      0.00000
    128       1.8401      0.00000
    129       1.8962      0.00000
    130       1.9594      0.00000
    131       2.1077      0.00000
    132       2.2349      0.00000
    133       2.2491      0.00000
    134       2.2951      0.00000
    135       2.4870      0.00000
    136       2.6132      0.00000
    137       2.6371      0.00000
    138       2.7659      0.00000
    139       2.7963      0.00000
    140       2.8560      0.00000
    141       2.8665      0.00000
    142       2.8923      0.00000
    143       2.9593      0.00000
    144       3.0810      0.00000
    145       3.2808      0.00000
    146       3.3048      0.00000
    147       3.3736      0.00000
    148       3.4075      0.00000
    149       3.4658      0.00000
    150       3.5844      0.00000
    151       3.6356      0.00000
    152       3.6678      0.00000
    153       3.7051      0.00000
    154       3.9048      0.00000
    155       3.9409      0.00000
    156       3.9814      0.00000
    157       4.0838      0.00000
    158       4.2018      0.00000
    159       4.2411      0.00000
    160       4.2972      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2133      1.00000
      2     -22.0069      1.00000
      3     -21.6483      1.00000
      4     -21.6112      1.00000
      5     -20.9122      1.00000
      6     -20.8656      1.00000
      7     -20.5449      1.00000
      8     -20.5054      1.00000
      9     -20.4949      1.00000
     10     -19.9627      1.00000
     11     -19.4417      1.00000
     12     -19.4142      1.00000
     13     -19.2407      1.00000
     14     -19.2261      1.00000
     15     -18.3835      1.00000
     16     -18.3391      1.00000
     17     -17.8594      1.00000
     18     -17.8379      1.00000
     19     -17.6974      1.00000
     20     -17.6545      1.00000
     21     -17.3715      1.00000
     22     -17.3550      1.00000
     23     -17.2738      1.00000
     24     -16.4004      1.00000
     25     -16.3854      1.00000
     26     -15.8957      1.00000
     27     -15.3517      1.00000
     28     -15.3363      1.00000
     29     -15.0338      1.00000
     30     -15.0200      1.00000
     31     -14.7993      1.00000
     32     -14.7742      1.00000
     33     -14.2214      1.00000
     34     -14.1892      1.00000
     35     -13.3707      1.00000
     36     -13.3366      1.00000
     37     -13.1193      1.00000
     38     -13.1016      1.00000
     39     -12.9155      1.00000
     40     -12.9020      1.00000
     41     -12.5563      1.00000
     42     -12.5380      1.00000
     43     -12.1329      1.00000
     44     -11.5215      1.00000
     45     -11.4728      1.00000
     46     -11.2531      1.00000
     47     -11.2188      1.00000
     48     -11.0795      1.00000
     49     -10.6609      1.00000
     50     -10.5882      1.00000
     51     -10.5236      1.00000
     52     -10.2579      1.00000
     53     -10.2481      1.00000
     54     -10.1225      1.00000
     55     -10.0481      1.00000
     56     -10.0401      1.00000
     57      -9.7702      1.00000
     58      -9.7056      1.00000
     59      -9.6789      1.00000
     60      -9.6293      1.00000
     61      -9.6264      1.00000
     62      -9.5870      1.00000
     63      -9.2944      1.00000
     64      -9.2850      1.00000
     65      -9.2524      1.00000
     66      -9.0911      1.00000
     67      -8.8972      1.00000
     68      -8.8825      1.00000
     69      -8.7242      1.00000
     70      -8.5907      1.00000
     71      -8.5131      1.00000
     72      -8.3305      1.00000
     73      -8.3022      1.00000
     74      -8.2641      1.00000
     75      -8.2320      1.00000
     76      -8.1945      1.00000
     77      -8.1852      1.00000
     78      -8.1699      1.00000
     79      -8.1060      1.00000
     80      -7.6884      1.00000
     81      -7.3546      1.00000
     82      -7.3096      1.00000
     83      -7.2637      1.00000
     84      -7.1873      1.00000
     85      -7.1240      1.00000
     86      -7.0762      1.00000
     87      -6.9064      1.00000
     88      -6.8818      1.00000
     89      -6.5485      1.00000
     90      -6.4924      1.00000
     91      -6.2090      1.00000
     92      -6.0700      1.00000
     93      -5.9420      1.00000
     94      -5.7158      1.00000
     95      -5.6324      1.00000
     96      -5.4521      1.00000
     97      -5.3050      1.00000
     98      -5.2336      1.00000
     99      -5.1515      1.00000
    100      -5.1509      1.00000
    101      -4.5246      1.00000
    102      -4.4706      1.00000
    103      -4.1436      1.00000
    104      -3.8393      1.00000
    105      -3.7571      1.00000
    106      -3.6790      1.00000
    107      -1.8709      0.00000
    108      -1.8234      0.00000
    109      -1.2760      0.00000
    110      -1.0356      0.00000
    111      -1.0113      0.00000
    112      -0.7113      0.00000
    113      -0.6394      0.00000
    114      -0.5879      0.00000
    115      -0.5456      0.00000
    116      -0.1987      0.00000
    117       0.2529      0.00000
    118       0.2789      0.00000
    119       0.7610      0.00000
    120       0.9462      0.00000
    121       1.1328      0.00000
    122       1.2263      0.00000
    123       1.3211      0.00000
    124       1.4134      0.00000
    125       1.6005      0.00000
    126       1.6339      0.00000
    127       1.7003      0.00000
    128       1.8249      0.00000
    129       1.9190      0.00000
    130       2.0112      0.00000
    131       2.1072      0.00000
    132       2.3295      0.00000
    133       2.3958      0.00000
    134       2.4328      0.00000
    135       2.5410      0.00000
    136       2.6338      0.00000
    137       2.7553      0.00000
    138       2.8201      0.00000
    139       2.8327      0.00000
    140       2.8870      0.00000
    141       3.0400      0.00000
    142       3.0892      0.00000
    143       3.1858      0.00000
    144       3.2384      0.00000
    145       3.3863      0.00000
    146       3.4215      0.00000
    147       3.4796      0.00000
    148       3.5723      0.00000
    149       3.5988      0.00000
    150       3.6273      0.00000
    151       3.6509      0.00000
    152       3.7422      0.00000
    153       3.7712      0.00000
    154       3.7864      0.00000
    155       3.8061      0.00000
    156       3.8962      0.00000
    157       3.9759      0.00000
    158       4.0088      0.00000
    159       4.1748      0.00000
    160       4.2381      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2471      1.00000
      2     -21.8927      1.00000
      3     -21.8220      1.00000
      4     -21.3107      1.00000
      5     -21.2804      1.00000
      6     -20.7697      1.00000
      7     -20.7036      1.00000
      8     -20.5553      1.00000
      9     -20.0077      1.00000
     10     -20.0004      1.00000
     11     -19.6470      1.00000
     12     -19.6226      1.00000
     13     -18.9285      1.00000
     14     -18.9201      1.00000
     15     -18.5693      1.00000
     16     -18.5555      1.00000
     17     -18.3932      1.00000
     18     -17.6147      1.00000
     19     -17.5580      1.00000
     20     -17.5528      1.00000
     21     -17.5112      1.00000
     22     -17.0548      1.00000
     23     -17.0372      1.00000
     24     -16.8900      1.00000
     25     -15.9283      1.00000
     26     -15.8664      1.00000
     27     -15.5156      1.00000
     28     -15.5146      1.00000
     29     -15.2279      1.00000
     30     -14.7936      1.00000
     31     -14.7662      1.00000
     32     -14.5150      1.00000
     33     -14.4704      1.00000
     34     -14.1007      1.00000
     35     -14.0893      1.00000
     36     -13.0753      1.00000
     37     -13.0325      1.00000
     38     -12.9663      1.00000
     39     -12.9542      1.00000
     40     -12.6448      1.00000
     41     -12.6382      1.00000
     42     -12.2731      1.00000
     43     -12.2415      1.00000
     44     -11.5871      1.00000
     45     -11.5595      1.00000
     46     -11.5054      1.00000
     47     -10.9046      1.00000
     48     -10.8498      1.00000
     49     -10.6232      1.00000
     50     -10.5588      1.00000
     51     -10.4840      1.00000
     52     -10.4324      1.00000
     53     -10.4224      1.00000
     54     -10.3704      1.00000
     55     -10.2937      1.00000
     56     -10.0656      1.00000
     57      -9.8323      1.00000
     58      -9.5487      1.00000
     59      -9.4880      1.00000
     60      -9.4730      1.00000
     61      -9.3451      1.00000
     62      -9.3299      1.00000
     63      -9.3101      1.00000
     64      -9.3077      1.00000
     65      -9.2136      1.00000
     66      -9.1112      1.00000
     67      -9.0797      1.00000
     68      -9.0485      1.00000
     69      -8.8501      1.00000
     70      -8.7917      1.00000
     71      -8.7732      1.00000
     72      -8.5263      1.00000
     73      -8.4763      1.00000
     74      -8.2253      1.00000
     75      -8.1098      1.00000
     76      -8.0983      1.00000
     77      -7.8080      1.00000
     78      -7.7836      1.00000
     79      -7.7813      1.00000
     80      -7.6738      1.00000
     81      -7.6313      1.00000
     82      -7.6300      1.00000
     83      -7.3989      1.00000
     84      -7.3241      1.00000
     85      -7.1963      1.00000
     86      -6.8387      1.00000
     87      -6.8284      1.00000
     88      -6.6627      1.00000
     89      -6.5377      1.00000
     90      -6.3445      1.00000
     91      -6.3072      1.00000
     92      -6.1833      1.00000
     93      -6.1466      1.00000
     94      -5.9767      1.00000
     95      -5.5717      1.00000
     96      -5.4256      1.00000
     97      -5.2581      1.00000
     98      -5.2529      1.00000
     99      -5.1486      1.00000
    100      -4.6953      1.00000
    101      -4.6643      1.00000
    102      -4.3488      1.00000
    103      -4.3170      1.00000
    104      -3.9650      1.00000
    105      -3.8330      1.00000
    106      -3.3886      1.00000
    107      -2.2200      0.00000
    108      -1.3766      0.00000
    109      -1.2855      0.00000
    110      -1.1726      0.00000
    111      -1.0770      0.00000
    112      -0.8935      0.00000
    113      -0.7675      0.00000
    114      -0.7569      0.00000
    115      -0.2139      0.00000
    116       0.1141      0.00000
    117       0.2643      0.00000
    118       0.3462      0.00000
    119       0.7345      0.00000
    120       0.9037      0.00000
    121       0.9721      0.00000
    122       1.0951      0.00000
    123       1.2098      0.00000
    124       1.5299      0.00000
    125       1.5622      0.00000
    126       1.7157      0.00000
    127       1.8388      0.00000
    128       1.8625      0.00000
    129       1.9699      0.00000
    130       1.9977      0.00000
    131       2.1593      0.00000
    132       2.2675      0.00000
    133       2.4547      0.00000
    134       2.4671      0.00000
    135       2.5076      0.00000
    136       2.6664      0.00000
    137       2.6868      0.00000
    138       2.7324      0.00000
    139       2.7426      0.00000
    140       2.8922      0.00000
    141       3.0218      0.00000
    142       3.0806      0.00000
    143       3.1940      0.00000
    144       3.2540      0.00000
    145       3.2571      0.00000
    146       3.2683      0.00000
    147       3.3575      0.00000
    148       3.4820      0.00000
    149       3.5284      0.00000
    150       3.6976      0.00000
    151       3.7550      0.00000
    152       3.7701      0.00000
    153       3.8340      0.00000
    154       3.8784      0.00000
    155       3.9414      0.00000
    156       3.9827      0.00000
    157       4.0221      0.00000
    158       4.0478      0.00000
    159       4.0550      0.00000
    160       4.1231      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1412      1.00000
      2     -22.0458      1.00000
      3     -21.8856      1.00000
      4     -21.3337      1.00000
      5     -20.9809      1.00000
      6     -20.9423      1.00000
      7     -20.4326      1.00000
      8     -20.3898      1.00000
      9     -20.2257      1.00000
     10     -20.2042      1.00000
     11     -19.8882      1.00000
     12     -19.8204      1.00000
     13     -18.8140      1.00000
     14     -18.7427      1.00000
     15     -18.2894      1.00000
     16     -18.2357      1.00000
     17     -18.0851      1.00000
     18     -18.0648      1.00000
     19     -17.7609      1.00000
     20     -17.7184      1.00000
     21     -17.1884      1.00000
     22     -17.1688      1.00000
     23     -17.0991      1.00000
     24     -17.0628      1.00000
     25     -16.0371      1.00000
     26     -15.8221      1.00000
     27     -15.7988      1.00000
     28     -15.7637      1.00000
     29     -15.1733      1.00000
     30     -14.4904      1.00000
     31     -14.4575      1.00000
     32     -14.2174      1.00000
     33     -13.8948      1.00000
     34     -13.8895      1.00000
     35     -13.7556      1.00000
     36     -13.7350      1.00000
     37     -13.5511      1.00000
     38     -13.5023      1.00000
     39     -13.2991      1.00000
     40     -12.5636      1.00000
     41     -12.1249      1.00000
     42     -12.0653      1.00000
     43     -12.0093      1.00000
     44     -11.9505      1.00000
     45     -11.6109      1.00000
     46     -11.5877      1.00000
     47     -11.0850      1.00000
     48     -11.0512      1.00000
     49     -10.7533      1.00000
     50     -10.6628      1.00000
     51     -10.5278      1.00000
     52     -10.1489      1.00000
     53     -10.1375      1.00000
     54     -10.0953      1.00000
     55      -9.9525      1.00000
     56      -9.9475      1.00000
     57      -9.9164      1.00000
     58      -9.7369      1.00000
     59      -9.7314      1.00000
     60      -9.6999      1.00000
     61      -9.6903      1.00000
     62      -9.4306      1.00000
     63      -9.3624      1.00000
     64      -9.0879      1.00000
     65      -9.0068      1.00000
     66      -8.9738      1.00000
     67      -8.8873      1.00000
     68      -8.8104      1.00000
     69      -8.6583      1.00000
     70      -8.6350      1.00000
     71      -8.5805      1.00000
     72      -8.4774      1.00000
     73      -8.4669      1.00000
     74      -8.3977      1.00000
     75      -8.3937      1.00000
     76      -8.1831      1.00000
     77      -8.1155      1.00000
     78      -7.9763      1.00000
     79      -7.9168      1.00000
     80      -7.8465      1.00000
     81      -7.6185      1.00000
     82      -7.5296      1.00000
     83      -7.4682      1.00000
     84      -7.2518      1.00000
     85      -6.9345      1.00000
     86      -6.8575      1.00000
     87      -6.8107      1.00000
     88      -6.5754      1.00000
     89      -6.4664      1.00000
     90      -6.4195      1.00000
     91      -6.3557      1.00000
     92      -6.0524      1.00000
     93      -5.8778      1.00000
     94      -5.7525      1.00000
     95      -5.7210      1.00000
     96      -5.4772      1.00000
     97      -5.3459      1.00000
     98      -5.1797      1.00000
     99      -5.1556      1.00000
    100      -5.1539      1.00000
    101      -4.7077      1.00000
    102      -4.4409      1.00000
    103      -4.2571      1.00000
    104      -3.9966      1.00000
    105      -3.8318      1.00000
    106      -3.1553      1.00000
    107      -2.4626      0.00000
    108      -1.3779      0.00000
    109      -1.2409      0.00000
    110      -1.1456      0.00000
    111      -1.1140      0.00000
    112      -0.5619      0.00000
    113      -0.4342      0.00000
    114      -0.4288      0.00000
    115      -0.3095      0.00000
    116      -0.1889      0.00000
    117       0.0622      0.00000
    118       0.1184      0.00000
    119       0.5408      0.00000
    120       0.6845      0.00000
    121       0.8718      0.00000
    122       0.9687      0.00000
    123       1.1118      0.00000
    124       1.4962      0.00000
    125       1.6628      0.00000
    126       1.8016      0.00000
    127       1.8760      0.00000
    128       2.0922      0.00000
    129       2.1379      0.00000
    130       2.1970      0.00000
    131       2.2146      0.00000
    132       2.3403      0.00000
    133       2.3616      0.00000
    134       2.4884      0.00000
    135       2.5813      0.00000
    136       2.6679      0.00000
    137       2.8787      0.00000
    138       2.9379      0.00000
    139       2.9660      0.00000
    140       2.9889      0.00000
    141       3.0399      0.00000
    142       3.1501      0.00000
    143       3.1809      0.00000
    144       3.2433      0.00000
    145       3.2902      0.00000
    146       3.3321      0.00000
    147       3.3500      0.00000
    148       3.3796      0.00000
    149       3.4112      0.00000
    150       3.4958      0.00000
    151       3.5521      0.00000
    152       3.6317      0.00000
    153       3.6938      0.00000
    154       3.7091      0.00000
    155       3.7247      0.00000
    156       3.9201      0.00000
    157       3.9335      0.00000
    158       4.0579      0.00000
    159       4.0882      0.00000
    160       4.2000      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2469      1.00000
      2     -21.8942      1.00000
      3     -21.8205      1.00000
      4     -21.3154      1.00000
      5     -21.2764      1.00000
      6     -20.7706      1.00000
      7     -20.7015      1.00000
      8     -20.5536      1.00000
      9     -20.0221      1.00000
     10     -19.9895      1.00000
     11     -19.6494      1.00000
     12     -19.6182      1.00000
     13     -18.9427      1.00000
     14     -18.9077      1.00000
     15     -18.5833      1.00000
     16     -18.5458      1.00000
     17     -18.3911      1.00000
     18     -17.6014      1.00000
     19     -17.5695      1.00000
     20     -17.5402      1.00000
     21     -17.5073      1.00000
     22     -17.0739      1.00000
     23     -17.0267      1.00000
     24     -16.8995      1.00000
     25     -15.9450      1.00000
     26     -15.8503      1.00000
     27     -15.5324      1.00000
     28     -15.5057      1.00000
     29     -15.2084      1.00000
     30     -14.8132      1.00000
     31     -14.7605      1.00000
     32     -14.5088      1.00000
     33     -14.4668      1.00000
     34     -14.0957      1.00000
     35     -14.0924      1.00000
     36     -13.1044      1.00000
     37     -13.0287      1.00000
     38     -12.9556      1.00000
     39     -12.9486      1.00000
     40     -12.6551      1.00000
     41     -12.6264      1.00000
     42     -12.2734      1.00000
     43     -12.2465      1.00000
     44     -11.5730      1.00000
     45     -11.5530      1.00000
     46     -11.4998      1.00000
     47     -10.8775      1.00000
     48     -10.8691      1.00000
     49     -10.6846      1.00000
     50     -10.5241      1.00000
     51     -10.5199      1.00000
     52     -10.4332      1.00000
     53     -10.4149      1.00000
     54     -10.3692      1.00000
     55     -10.2868      1.00000
     56     -10.0608      1.00000
     57      -9.8311      1.00000
     58      -9.5589      1.00000
     59      -9.4833      1.00000
     60      -9.4455      1.00000
     61      -9.3559      1.00000
     62      -9.3379      1.00000
     63      -9.3066      1.00000
     64      -9.3013      1.00000
     65      -9.2055      1.00000
     66      -9.0990      1.00000
     67      -9.0677      1.00000
     68      -9.0486      1.00000
     69      -8.8536      1.00000
     70      -8.7969      1.00000
     71      -8.7774      1.00000
     72      -8.5263      1.00000
     73      -8.4980      1.00000
     74      -8.2303      1.00000
     75      -8.1295      1.00000
     76      -8.0923      1.00000
     77      -7.8061      1.00000
     78      -7.7665      1.00000
     79      -7.7382      1.00000
     80      -7.7044      1.00000
     81      -7.6347      1.00000
     82      -7.6240      1.00000
     83      -7.3867      1.00000
     84      -7.3432      1.00000
     85      -7.2162      1.00000
     86      -6.8429      1.00000
     87      -6.8200      1.00000
     88      -6.6403      1.00000
     89      -6.5286      1.00000
     90      -6.3405      1.00000
     91      -6.2726      1.00000
     92      -6.1951      1.00000
     93      -6.1313      1.00000
     94      -6.0212      1.00000
     95      -5.6384      1.00000
     96      -5.5080      1.00000
     97      -5.2971      1.00000
     98      -5.1553      1.00000
     99      -5.0397      1.00000
    100      -4.7269      1.00000
    101      -4.6849      1.00000
    102      -4.3677      1.00000
    103      -4.1866      1.00000
    104      -4.0097      1.00000
    105      -3.8313      1.00000
    106      -3.4836      1.00000
    107      -2.1636      0.00000
    108      -1.3825      0.00000
    109      -1.2354      0.00000
    110      -1.1840      0.00000
    111      -1.0134      0.00000
    112      -0.9553      0.00000
    113      -0.7969      0.00000
    114      -0.7515      0.00000
    115      -0.3622      0.00000
    116       0.2452      0.00000
    117       0.2770      0.00000
    118       0.3657      0.00000
    119       0.7008      0.00000
    120       0.8694      0.00000
    121       0.9660      0.00000
    122       1.1275      0.00000
    123       1.2364      0.00000
    124       1.4566      0.00000
    125       1.5550      0.00000
    126       1.7823      0.00000
    127       1.8515      0.00000
    128       1.8835      0.00000
    129       1.9854      0.00000
    130       2.0313      0.00000
    131       2.1974      0.00000
    132       2.2111      0.00000
    133       2.4023      0.00000
    134       2.4521      0.00000
    135       2.5544      0.00000
    136       2.6582      0.00000
    137       2.6850      0.00000
    138       2.7285      0.00000
    139       2.7666      0.00000
    140       2.8547      0.00000
    141       2.9656      0.00000
    142       3.0799      0.00000
    143       3.1896      0.00000
    144       3.2400      0.00000
    145       3.2557      0.00000
    146       3.2933      0.00000
    147       3.3290      0.00000
    148       3.4817      0.00000
    149       3.5086      0.00000
    150       3.7124      0.00000
    151       3.7224      0.00000
    152       3.7701      0.00000
    153       3.8611      0.00000
    154       3.8743      0.00000
    155       3.8972      0.00000
    156       3.9968      0.00000
    157       3.9982      0.00000
    158       4.0497      0.00000
    159       4.0642      0.00000
    160       4.1013      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3188      1.00000
      2     -21.7607      1.00000
      3     -21.5669      1.00000
      4     -21.5397      1.00000
      5     -21.2042      1.00000
      6     -21.1652      1.00000
      7     -20.9847      1.00000
      8     -20.0978      1.00000
      9     -20.0589      1.00000
     10     -19.5457      1.00000
     11     -19.5255      1.00000
     12     -19.3438      1.00000
     13     -19.0274      1.00000
     14     -18.9873      1.00000
     15     -18.9767      1.00000
     16     -18.9709      1.00000
     17     -18.2953      1.00000
     18     -18.2817      1.00000
     19     -17.9451      1.00000
     20     -16.9998      1.00000
     21     -16.9585      1.00000
     22     -16.8819      1.00000
     23     -16.8690      1.00000
     24     -16.4159      1.00000
     25     -16.3928      1.00000
     26     -15.5403      1.00000
     27     -15.5368      1.00000
     28     -15.1719      1.00000
     29     -15.1704      1.00000
     30     -15.1301      1.00000
     31     -15.0354      1.00000
     32     -15.0000      1.00000
     33     -14.6330      1.00000
     34     -14.6258      1.00000
     35     -13.6625      1.00000
     36     -13.6523      1.00000
     37     -13.1699      1.00000
     38     -12.5728      1.00000
     39     -12.5124      1.00000
     40     -12.3847      1.00000
     41     -12.3842      1.00000
     42     -12.0349      1.00000
     43     -12.0305      1.00000
     44     -11.6550      1.00000
     45     -11.6144      1.00000
     46     -11.2069      1.00000
     47     -11.1567      1.00000
     48     -10.9545      1.00000
     49     -10.9412      1.00000
     50     -10.8602      1.00000
     51     -10.8276      1.00000
     52     -10.6266      1.00000
     53     -10.1473      1.00000
     54     -10.0834      1.00000
     55     -10.0241      1.00000
     56      -9.9457      1.00000
     57      -9.6308      1.00000
     58      -9.6287      1.00000
     59      -9.6023      1.00000
     60      -9.5408      1.00000
     61      -9.5027      1.00000
     62      -9.4779      1.00000
     63      -9.2730      1.00000
     64      -9.2343      1.00000
     65      -9.2064      1.00000
     66      -9.1798      1.00000
     67      -9.0615      1.00000
     68      -9.0460      1.00000
     69      -9.0423      1.00000
     70      -8.8764      1.00000
     71      -8.8089      1.00000
     72      -8.5396      1.00000
     73      -8.5329      1.00000
     74      -8.5048      1.00000
     75      -8.0300      1.00000
     76      -7.8320      1.00000
     77      -7.8019      1.00000
     78      -7.7735      1.00000
     79      -7.7022      1.00000
     80      -7.6835      1.00000
     81      -7.4104      1.00000
     82      -7.2873      1.00000
     83      -7.2507      1.00000
     84      -7.2026      1.00000
     85      -7.0820      1.00000
     86      -7.0728      1.00000
     87      -6.9379      1.00000
     88      -6.7117      1.00000
     89      -6.6740      1.00000
     90      -6.6283      1.00000
     91      -6.5562      1.00000
     92      -6.0711      1.00000
     93      -6.0308      1.00000
     94      -6.0016      1.00000
     95      -5.9364      1.00000
     96      -5.8007      1.00000
     97      -5.1831      1.00000
     98      -4.8955      1.00000
     99      -4.7935      1.00000
    100      -4.6101      1.00000
    101      -4.5118      1.00000
    102      -4.1402      1.00000
    103      -4.0925      1.00000
    104      -3.9309      1.00000
    105      -3.9164      1.00000
    106      -3.8303      1.00000
    107      -1.7511      0.00000
    108      -1.6952      0.00000
    109      -1.4096      0.00000
    110      -1.3709      0.00000
    111      -1.2639      0.00000
    112      -1.2353      0.00000
    113      -0.6208      0.00000
    114      -0.5976      0.00000
    115      -0.1902      0.00000
    116       0.0447      0.00000
    117       0.5841      0.00000
    118       0.7403      0.00000
    119       0.8507      0.00000
    120       0.9290      0.00000
    121       1.1681      0.00000
    122       1.2115      0.00000
    123       1.2477      0.00000
    124       1.4197      0.00000
    125       1.5996      0.00000
    126       1.6384      0.00000
    127       1.7046      0.00000
    128       1.8054      0.00000
    129       1.9230      0.00000
    130       1.9403      0.00000
    131       2.1495      0.00000
    132       2.1726      0.00000
    133       2.2611      0.00000
    134       2.2999      0.00000
    135       2.5419      0.00000
    136       2.5583      0.00000
    137       2.6341      0.00000
    138       2.7600      0.00000
    139       2.8075      0.00000
    140       2.8466      0.00000
    141       2.8938      0.00000
    142       2.9435      0.00000
    143       3.0149      0.00000
    144       3.0271      0.00000
    145       3.0855      0.00000
    146       3.3111      0.00000
    147       3.3697      0.00000
    148       3.4172      0.00000
    149       3.4779      0.00000
    150       3.5997      0.00000
    151       3.6556      0.00000
    152       3.6636      0.00000
    153       3.6781      0.00000
    154       3.8907      0.00000
    155       3.9780      0.00000
    156       4.0259      0.00000
    157       4.0724      0.00000
    158       4.2330      0.00000
    159       4.2550      0.00000
    160       4.2674      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1402      1.00000
      2     -22.0472      1.00000
      3     -21.8852      1.00000
      4     -21.3347      1.00000
      5     -20.9759      1.00000
      6     -20.9464      1.00000
      7     -20.4273      1.00000
      8     -20.3952      1.00000
      9     -20.2150      1.00000
     10     -20.2132      1.00000
     11     -19.8872      1.00000
     12     -19.8232      1.00000
     13     -18.8173      1.00000
     14     -18.7462      1.00000
     15     -18.2648      1.00000
     16     -18.2509      1.00000
     17     -18.0795      1.00000
     18     -18.0729      1.00000
     19     -17.7449      1.00000
     20     -17.7293      1.00000
     21     -17.1946      1.00000
     22     -17.1710      1.00000
     23     -17.0875      1.00000
     24     -17.0675      1.00000
     25     -16.0532      1.00000
     26     -15.8078      1.00000
     27     -15.7983      1.00000
     28     -15.7775      1.00000
     29     -15.1582      1.00000
     30     -14.4854      1.00000
     31     -14.4638      1.00000
     32     -14.2033      1.00000
     33     -13.9160      1.00000
     34     -13.8856      1.00000
     35     -13.7586      1.00000
     36     -13.7380      1.00000
     37     -13.5357      1.00000
     38     -13.5097      1.00000
     39     -13.3005      1.00000
     40     -12.5760      1.00000
     41     -12.1008      1.00000
     42     -12.0767      1.00000
     43     -11.9983      1.00000
     44     -11.9503      1.00000
     45     -11.6049      1.00000
     46     -11.5969      1.00000
     47     -11.0849      1.00000
     48     -11.0610      1.00000
     49     -10.7328      1.00000
     50     -10.6643      1.00000
     51     -10.5618      1.00000
     52     -10.1388      1.00000
     53     -10.1341      1.00000
     54     -10.1000      1.00000
     55      -9.9656      1.00000
     56      -9.9244      1.00000
     57      -9.9205      1.00000
     58      -9.7506      1.00000
     59      -9.7281      1.00000
     60      -9.6968      1.00000
     61      -9.6945      1.00000
     62      -9.4022      1.00000
     63      -9.3896      1.00000
     64      -9.0704      1.00000
     65      -8.9814      1.00000
     66      -8.9806      1.00000
     67      -8.9061      1.00000
     68      -8.8111      1.00000
     69      -8.6495      1.00000
     70      -8.6328      1.00000
     71      -8.5510      1.00000
     72      -8.5024      1.00000
     73      -8.4827      1.00000
     74      -8.3938      1.00000
     75      -8.3816      1.00000
     76      -8.2095      1.00000
     77      -8.1029      1.00000
     78      -8.0066      1.00000
     79      -7.9020      1.00000
     80      -7.8438      1.00000
     81      -7.6215      1.00000
     82      -7.5329      1.00000
     83      -7.4564      1.00000
     84      -7.2490      1.00000
     85      -6.9421      1.00000
     86      -6.8682      1.00000
     87      -6.8086      1.00000
     88      -6.4775      1.00000
     89      -6.4691      1.00000
     90      -6.4089      1.00000
     91      -6.3594      1.00000
     92      -6.1934      1.00000
     93      -5.8575      1.00000
     94      -5.7369      1.00000
     95      -5.7106      1.00000
     96      -5.5244      1.00000
     97      -5.3284      1.00000
     98      -5.1715      1.00000
     99      -5.1669      1.00000
    100      -5.1334      1.00000
    101      -4.6955      1.00000
    102      -4.3481      1.00000
    103      -4.2830      1.00000
    104      -4.0300      1.00000
    105      -3.8328      1.00000
    106      -3.2328      1.00000
    107      -2.4042      0.00000
    108      -1.3443      0.00000
    109      -1.2431      0.00000
    110      -1.1526      0.00000
    111      -1.1081      0.00000
    112      -0.5808      0.00000
    113      -0.5216      0.00000
    114      -0.4334      0.00000
    115      -0.2749      0.00000
    116      -0.0680      0.00000
    117      -0.0098      0.00000
    118       0.0605      0.00000
    119       0.5831      0.00000
    120       0.7112      0.00000
    121       0.8104      0.00000
    122       0.9449      0.00000
    123       1.1839      0.00000
    124       1.5091      0.00000
    125       1.6218      0.00000
    126       1.8580      0.00000
    127       2.0040      0.00000
    128       2.0510      0.00000
    129       2.1118      0.00000
    130       2.1513      0.00000
    131       2.2631      0.00000
    132       2.2862      0.00000
    133       2.3482      0.00000
    134       2.4632      0.00000
    135       2.6100      0.00000
    136       2.7004      0.00000
    137       2.8182      0.00000
    138       2.9154      0.00000
    139       2.9428      0.00000
    140       3.0117      0.00000
    141       3.0470      0.00000
    142       3.1565      0.00000
    143       3.1628      0.00000
    144       3.2223      0.00000
    145       3.2989      0.00000
    146       3.3107      0.00000
    147       3.3529      0.00000
    148       3.3733      0.00000
    149       3.4159      0.00000
    150       3.4468      0.00000
    151       3.5609      0.00000
    152       3.6118      0.00000
    153       3.7013      0.00000
    154       3.7250      0.00000
    155       3.8470      0.00000
    156       3.9031      0.00000
    157       3.9315      0.00000
    158       3.9598      0.00000
    159       4.1453      0.00000
    160       4.1801      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2128      1.00000
      2     -22.0076      1.00000
      3     -21.6456      1.00000
      4     -21.6143      1.00000
      5     -20.9092      1.00000
      6     -20.8684      1.00000
      7     -20.5386      1.00000
      8     -20.5058      1.00000
      9     -20.4990      1.00000
     10     -19.9615      1.00000
     11     -19.4405      1.00000
     12     -19.4184      1.00000
     13     -19.2395      1.00000
     14     -19.2323      1.00000
     15     -18.3754      1.00000
     16     -18.3402      1.00000
     17     -17.8584      1.00000
     18     -17.8422      1.00000
     19     -17.6906      1.00000
     20     -17.6545      1.00000
     21     -17.3718      1.00000
     22     -17.3575      1.00000
     23     -17.2662      1.00000
     24     -16.4135      1.00000
     25     -16.3896      1.00000
     26     -15.9040      1.00000
     27     -15.3433      1.00000
     28     -15.3382      1.00000
     29     -15.0309      1.00000
     30     -15.0209      1.00000
     31     -14.7755      1.00000
     32     -14.7733      1.00000
     33     -14.2371      1.00000
     34     -14.1861      1.00000
     35     -13.3872      1.00000
     36     -13.3325      1.00000
     37     -13.1109      1.00000
     38     -13.1025      1.00000
     39     -12.9172      1.00000
     40     -12.9114      1.00000
     41     -12.5452      1.00000
     42     -12.5371      1.00000
     43     -12.1326      1.00000
     44     -11.5140      1.00000
     45     -11.4692      1.00000
     46     -11.2446      1.00000
     47     -11.2129      1.00000
     48     -11.0859      1.00000
     49     -10.7089      1.00000
     50     -10.5954      1.00000
     51     -10.5093      1.00000
     52     -10.2506      1.00000
     53     -10.2464      1.00000
     54     -10.1212      1.00000
     55     -10.0542      1.00000
     56     -10.0386      1.00000
     57      -9.7857      1.00000
     58      -9.6861      1.00000
     59      -9.6725      1.00000
     60      -9.6368      1.00000
     61      -9.6271      1.00000
     62      -9.5849      1.00000
     63      -9.2954      1.00000
     64      -9.2826      1.00000
     65      -9.2535      1.00000
     66      -9.0682      1.00000
     67      -8.8941      1.00000
     68      -8.8830      1.00000
     69      -8.7179      1.00000
     70      -8.5838      1.00000
     71      -8.5265      1.00000
     72      -8.3507      1.00000
     73      -8.3044      1.00000
     74      -8.2429      1.00000
     75      -8.2372      1.00000
     76      -8.1944      1.00000
     77      -8.1810      1.00000
     78      -8.1695      1.00000
     79      -8.1125      1.00000
     80      -7.6900      1.00000
     81      -7.4152      1.00000
     82      -7.3434      1.00000
     83      -7.2569      1.00000
     84      -7.1677      1.00000
     85      -7.1100      1.00000
     86      -7.0027      1.00000
     87      -6.9036      1.00000
     88      -6.8463      1.00000
     89      -6.5421      1.00000
     90      -6.4976      1.00000
     91      -6.2155      1.00000
     92      -6.2018      1.00000
     93      -5.8938      1.00000
     94      -5.6734      1.00000
     95      -5.6088      1.00000
     96      -5.5799      1.00000
     97      -5.2526      1.00000
     98      -5.2306      1.00000
     99      -5.1642      1.00000
    100      -5.1339      1.00000
    101      -4.5994      1.00000
    102      -4.2528      1.00000
    103      -4.0465      1.00000
    104      -3.8840      1.00000
    105      -3.8444      1.00000
    106      -3.8012      1.00000
    107      -1.8072      0.00000
    108      -1.7796      0.00000
    109      -1.2240      0.00000
    110      -1.1751      0.00000
    111      -0.9736      0.00000
    112      -0.7335      0.00000
    113      -0.6500      0.00000
    114      -0.5935      0.00000
    115      -0.5491      0.00000
    116      -0.1482      0.00000
    117       0.1766      0.00000
    118       0.2886      0.00000
    119       0.7057      0.00000
    120       0.9498      0.00000
    121       1.1682      0.00000
    122       1.2785      0.00000
    123       1.3477      0.00000
    124       1.5119      0.00000
    125       1.6081      0.00000
    126       1.6272      0.00000
    127       1.6921      0.00000
    128       1.7745      0.00000
    129       1.8605      0.00000
    130       2.0786      0.00000
    131       2.1655      0.00000
    132       2.3188      0.00000
    133       2.3923      0.00000
    134       2.4233      0.00000
    135       2.5558      0.00000
    136       2.6241      0.00000
    137       2.6857      0.00000
    138       2.7465      0.00000
    139       2.8153      0.00000
    140       2.9078      0.00000
    141       3.0500      0.00000
    142       3.0613      0.00000
    143       3.1819      0.00000
    144       3.2797      0.00000
    145       3.3780      0.00000
    146       3.4128      0.00000
    147       3.4593      0.00000
    148       3.5450      0.00000
    149       3.5711      0.00000
    150       3.6329      0.00000
    151       3.6626      0.00000
    152       3.7014      0.00000
    153       3.7852      0.00000
    154       3.7977      0.00000
    155       3.8240      0.00000
    156       3.8924      0.00000
    157       3.9064      0.00000
    158       3.9788      0.00000
    159       4.1878      0.00000
    160       4.2324      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0400   -7.2576    3.9852   -1.1338   -0.1860   17.3782    0.4874   -0.8139    0.7720   -0.4785
x    -3.1241   -0.0256   -0.0216   -0.0249    0.0901   -3.0533    0.0301   -0.0244    0.0085    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   204.0400    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    0.0618    0.0186
y     0.0233   -3.2426   -0.1783    0.1695   -2.4146   -0.6649
z   204.0400    1.7469    0.2950    0.0872    0.0010    0.0707   -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    0.0987    0.0006   -0.0010   -0.0001   -0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0012   -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  -16.5929
z     0.1408    0.2359   -0.0281    0.0577   -0.0952    0.0006
 total charge-density along one line
x   212.0000  -10.0888    5.9320   -1.9426   -0.4215   19.2966   -0.6619    0.2081    0.0674   -0.1083
x    -2.7039   -0.0094    0.0006   -0.0435    0.0956   -2.3445    0.0476   -0.0345    0.0119    0.0025
x    -0.0856   -0.0053    0.0082   -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  -10.0888    5.9320   -1.9426   -0.4215   19.2966   -0.6619    0.2081    0.0674   -0.1083
y    -2.7039   -0.0094    0.0006   -0.0435    0.0956   -2.3445    0.0476   -0.0345    0.0119    0.0025
y    -0.0856   -0.0053    0.0082   -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 -205.3400  188.9526 -170.2184  154.0232 -140.2238  126.2650 -110.7987   94.5723  -78.9533
z    64.6283  -51.7191   40.4785  -31.3880   24.6216  -19.6845   15.7187  -12.1262    8.8618   -6.1892
z     4.2558   -2.9246    1.9364   -1.1387    0.5326   -0.1482   -0.0646    0.2139   -0.3662    0.4997
z    -0.5562    0.5196   -0.4366    0.3675   -0.3340    0.3152   -0.2838    0.2366   -0.1899    0.1566
z    -0.1346    0.1145   -0.0922    0.0716   -0.0576    0.0499   -0.0441    0.0370   -0.0296    0.0239
z    -0.0207    0.0185   -0.0159    0.0129   -0.0103    0.0084   -0.0068    0.0053   -0.0039    0.0028
z    -0.0020    0.0012   -0.0004   -0.0002    0.0004   -0.0004    0.0004   -0.0006    0.0007   -0.0007
z     0.0004   -0.0002    0.0001    0.0000    0.0000    0.0001   -0.0002    0.0003   -0.0003    0.0003
z    -0.0003    0.0002   -0.0002    0.0001   -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0000   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.941   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.269   0.000  -0.100   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  -0.100   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  -0.020   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
-10.941   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.269   0.000  -0.100   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  -0.100   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  -0.020   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   0.021   0.000   0.057   0.000  -0.014  -0.025   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   0.258   0.000   0.000   0.000   0.160   0.000   0.106  -0.035
 -0.026   0.000   1.788   0.000   0.018   0.043   0.000   0.357   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   0.258   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   0.190  -0.052   0.000   0.115   0.000   0.000
  0.000   0.594   0.000   0.258   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   0.357   0.000  -0.035   0.101   0.000   0.569   0.000  -0.057   0.705  -0.295   0.000   0.088   0.000   0.000
  0.000   0.258   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   0.003  -0.024   0.000  -0.057   0.000   0.036  -0.108   0.030   0.000  -0.068   0.000   0.000
 -0.025   0.000  -0.233   0.000   0.010   0.190   0.000   0.705   0.000  -0.108   1.351  -0.433   0.000   0.265   0.000   0.000
  0.025   0.000  -0.044   0.000  -0.015  -0.052   0.000  -0.295   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   0.011  -0.004
 -0.001   0.000   0.096   0.000   0.003   0.115   0.000   0.088   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   0.011   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   8.027   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   2.646
  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   2.646
 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   1.773   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   2.645
 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   1.773   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   2.646
 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       44.831  89.434   8.027 142.291
 


 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  113.55: CPU time   57.17
    FORLOC:  VPU time    1.25: CPU time    1.25
    FORNL :  VPU time  441.77: CPU time  221.35
    STRESS:  VPU time 1326.80: CPU time  666.70
    FORCOR:  VPU time    8.58: CPU time    8.57
    FORHAR:  VPU time    2.27: CPU time    2.28
    MIXING:  VPU time    0.16: CPU time    0.16
 d Force =-0.8342777E-05[-0.773E-05,-0.896E-05]  d Energy =-0.2273128E-04 0.144E-04
 d Force =-0.9159429E-01[-0.916E-01,-0.916E-01]  d Ewald  = 0.1076400E+00-0.199E+00


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.644912 eV

  energy  without entropy=     -471.644912  energy(sigma->0) =     -471.644912
 

  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    40725.30  40741.17 -47424.29     13.75      0.00      0.00
  Hartree  40191.87  40194.95 -39444.46      2.67      0.00      0.00
  E(xc)     -779.74   -779.55   -807.26      0.17      0.00      0.00
  Local   -83210.46 -83223.29  84186.27    -11.11      0.00      0.00
  n-local   -215.77   -215.64   -203.80     -0.14      0.00      0.00
  augment     22.10     20.54     17.34     -1.35      0.00      0.00
  Kinetic   3168.76   3171.38   3582.06     -6.19      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.25     -0.27     -0.20     -0.02      0.00      0.00
  in kB       -0.15     -0.16     -0.12     -0.01      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
    12.347500775  0.001897924  0.000000000     0.080980865  0.046737798  0.000000000
    -6.172113380 10.694194129  0.000000000    -0.000014372  0.093500388  0.000000000
     0.000000000  0.000000000 19.976496161     0.000000000  0.000000000  0.050058829

  length of vectors
    12.347500921 12.347500623 19.976496161     0.093500386  0.093500389  0.050058829


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.484E-05 -.455E-04 -.961E+03   0.436E-05 -.275E-04 0.969E+03   0.425E-21 0.135E-23 -.781E+01   -.145E-06 0.852E-07 -.107E-02
   -.175E+02 -.303E+02 -.136E+03   0.183E+02 0.318E+02 0.139E+03   -.827E+00 -.143E+01 -.258E+01   0.149E-03 0.258E-03 -.175E-03
   0.175E+02 0.303E+02 -.136E+03   -.183E+02 -.318E+02 0.139E+03   0.827E+00 0.143E+01 -.258E+01   -.149E-03 -.258E-03 -.175E-03
   -.195E+01 0.113E+01 0.178E+02   0.196E+01 -.113E+01 -.178E+02   -.749E-02 0.432E-02 -.354E-02   -.970E-03 0.557E-03 0.199E-03
   0.579E+01 0.688E+01 0.203E+02   -.580E+01 -.692E+01 -.203E+02   0.697E-02 0.322E-01 -.207E-01   -.597E-03 0.531E-03 0.236E-03
   0.113E+02 0.504E+01 0.186E+02   -.113E+02 -.505E+01 -.185E+02   0.240E-01 0.920E-02 -.545E-01   -.534E-03 0.538E-03 0.134E-03
   0.453E+01 -.102E+01 0.163E+02   -.455E+01 0.104E+01 -.163E+02   0.201E-01 -.170E-01 -.195E-02   -.637E-03 0.323E-03 0.524E-04
   -.291E+01 -.240E+01 0.154E+02   0.293E+01 0.241E+01 -.154E+02   -.132E-01 -.150E-01 0.293E-02   -.865E-03 0.325E-03 0.833E-04
   0.618E+00 0.372E+01 0.154E+02   -.621E+00 -.374E+01 -.154E+02   0.639E-02 0.190E-01 0.293E-02   -.719E-03 0.580E-03 0.796E-04
   0.275E+01 0.182E+02 0.249E+02   -.275E+01 -.183E+02 -.249E+02   0.113E-01 0.110E+00 -.657E-02   -.853E-03 0.649E-03 0.266E-03
   0.215E+02 0.226E+02 0.397E+02   -.216E+02 -.229E+02 -.396E+02   0.117E+00 0.227E+00 -.156E-01   -.550E-03 0.359E-03 0.605E-03
   0.265E+02 -.451E+01 0.265E+02   -.268E+02 0.462E+01 -.264E+02   0.238E+00 -.120E+00 -.569E-01   -.761E-03 0.360E-03 -.469E-04
   0.917E+01 -.529E+01 0.155E+02   -.918E+01 0.530E+01 -.155E+02   0.187E-01 -.108E-01 0.528E-02   -.720E-03 0.410E-03 -.362E-05
   0.315E+01 -.342E+01 0.163E+02   -.318E+01 0.342E+01 -.163E+02   0.248E-01 -.895E-02 -.195E-02   -.601E-03 0.386E-03 0.439E-04
   -.604E+01 0.132E+02 0.199E+02   0.605E+01 -.132E+02 -.198E+02   -.475E-02 0.753E-01 -.109E-01   -.823E-03 0.543E-03 0.613E-04
   -.123E+02 0.335E+02 0.454E+02   0.124E+02 -.342E+02 -.457E+02   -.892E-01 0.681E+00 0.349E+00   -.106E-02 0.375E-03 0.324E-03
   0.265E+02 -.153E+02 0.687E+02   -.275E+02 0.159E+02 -.708E+02   0.980E+00 -.566E+00 0.210E+01   -.499E-03 0.286E-03 0.347E-03
   0.172E+02 -.207E+02 0.265E+02   -.174E+02 0.209E+02 -.264E+02   0.222E+00 -.146E+00 -.569E-01   -.694E-03 0.471E-03 -.518E-04
   0.126E+01 -.123E+02 0.186E+02   -.127E+01 0.123E+02 -.185E+02   0.405E-02 -.254E-01 -.545E-01   -.730E-03 0.192E-03 0.129E-03
   -.387E+01 0.155E+01 0.145E+02   0.387E+01 -.156E+01 -.144E+02   -.539E-02 0.225E-02 -.424E-01   -.840E-03 0.431E-03 0.208E-04
   -.182E+02 0.105E+02 0.206E+02   0.183E+02 -.106E+02 -.204E+02   -.631E-01 0.364E-01 -.128E+00   -.974E-03 0.566E-03 -.609E-04
   -.352E+02 -.613E+01 0.454E+02   0.358E+02 0.638E+01 -.457E+02   -.634E+00 -.263E+00 0.349E+00   -.853E-03 0.732E-03 0.327E-03
   -.887E+01 -.299E+02 0.397E+02   0.901E+01 0.301E+02 -.396E+02   -.138E+00 -.215E+00 -.156E-01   -.583E-03 0.292E-03 0.603E-03
   -.306E+01 -.846E+01 0.203E+02   0.309E+01 0.848E+01 -.203E+02   -.244E-01 -.222E-01 -.207E-01   -.757E-03 0.250E-03 0.236E-03
   0.127E+01 -.735E+00 0.155E+02   -.127E+01 0.733E+00 -.154E+02   -.789E-03 0.455E-03 -.269E-01   -.668E-03 0.387E-03 0.144E-03
   -.328E+01 0.257E+01 0.145E+02   0.329E+01 -.258E+01 -.144E+02   -.464E-02 0.355E-02 -.424E-01   -.792E-03 0.516E-03 0.257E-04
   -.144E+02 -.136E+01 0.199E+02   0.145E+02 0.139E+01 -.198E+02   -.676E-01 -.336E-01 -.109E-01   -.880E-03 0.440E-03 0.691E-04
   -.143E+02 -.115E+02 0.249E+02   0.144E+02 0.115E+02 -.249E+02   -.895E-01 -.647E-01 -.657E-02   -.987E-03 0.409E-03 0.269E-03
   0.306E+01 0.846E+01 0.203E+02   -.309E+01 -.848E+01 -.203E+02   0.244E-01 0.222E-01 -.207E-01   0.757E-03 -.250E-03 0.236E-03
   0.143E+02 0.115E+02 0.249E+02   -.144E+02 -.115E+02 -.249E+02   0.895E-01 0.647E-01 -.657E-02   0.987E-03 -.409E-03 0.269E-03
   0.144E+02 0.136E+01 0.199E+02   -.145E+02 -.139E+01 -.198E+02   0.676E-01 0.336E-01 -.109E-01   0.880E-03 -.440E-03 0.691E-04
   0.328E+01 -.257E+01 0.145E+02   -.329E+01 0.258E+01 -.144E+02   0.464E-02 -.355E-02 -.424E-01   0.792E-03 -.516E-03 0.257E-04
   -.127E+01 0.735E+00 0.155E+02   0.127E+01 -.733E+00 -.154E+02   0.789E-03 -.455E-03 -.269E-01   0.668E-03 -.387E-03 0.144E-03
   -.126E+01 0.123E+02 0.186E+02   0.127E+01 -.123E+02 -.185E+02   -.405E-02 0.254E-01 -.545E-01   0.730E-03 -.192E-03 0.129E-03
   0.887E+01 0.299E+02 0.397E+02   -.901E+01 -.301E+02 -.396E+02   0.138E+00 0.215E+00 -.156E-01   0.583E-03 -.292E-03 0.603E-03
   0.352E+02 0.613E+01 0.454E+02   -.358E+02 -.638E+01 -.457E+02   0.634E+00 0.263E+00 0.349E+00   0.853E-03 -.732E-03 0.327E-03
   0.182E+02 -.105E+02 0.206E+02   -.183E+02 0.106E+02 -.204E+02   0.631E-01 -.364E-01 -.128E+00   0.974E-03 -.566E-03 -.609E-04
   0.387E+01 -.155E+01 0.145E+02   -.387E+01 0.156E+01 -.144E+02   0.539E-02 -.225E-02 -.424E-01   0.840E-03 -.431E-03 0.208E-04
   -.315E+01 0.342E+01 0.163E+02   0.318E+01 -.342E+01 -.163E+02   -.248E-01 0.895E-02 -.195E-02   0.601E-03 -.386E-03 0.439E-04
   -.172E+02 0.207E+02 0.265E+02   0.174E+02 -.209E+02 -.264E+02   -.222E+00 0.146E+00 -.569E-01   0.694E-03 -.471E-03 -.518E-04
   -.265E+02 0.153E+02 0.687E+02   0.275E+02 -.159E+02 -.708E+02   -.980E+00 0.566E+00 0.210E+01   0.499E-03 -.286E-03 0.347E-03
   0.123E+02 -.335E+02 0.454E+02   -.124E+02 0.342E+02 -.457E+02   0.892E-01 -.681E+00 0.349E+00   0.106E-02 -.375E-03 0.324E-03
   0.604E+01 -.132E+02 0.199E+02   -.605E+01 0.132E+02 -.198E+02   0.475E-02 -.753E-01 -.109E-01   0.823E-03 -.543E-03 0.613E-04
   -.618E+00 -.372E+01 0.154E+02   0.621E+00 0.374E+01 -.154E+02   -.639E-02 -.190E-01 0.293E-02   0.719E-03 -.580E-03 0.796E-04
   -.917E+01 0.529E+01 0.155E+02   0.918E+01 -.530E+01 -.155E+02   -.187E-01 0.108E-01 0.528E-02   0.720E-03 -.410E-03 -.362E-05
   -.265E+02 0.451E+01 0.265E+02   0.268E+02 -.462E+01 -.264E+02   -.238E+00 0.120E+00 -.569E-01   0.761E-03 -.360E-03 -.469E-04
   -.215E+02 -.226E+02 0.397E+02   0.216E+02 0.229E+02 -.396E+02   -.117E+00 -.227E+00 -.156E-01   0.550E-03 -.359E-03 0.605E-03
   -.275E+01 -.182E+02 0.249E+02   0.275E+01 0.183E+02 -.249E+02   -.113E-01 -.110E+00 -.657E-02   0.853E-03 -.649E-03 0.266E-03
   0.195E+01 -.113E+01 0.178E+02   -.196E+01 0.113E+01 -.178E+02   0.749E-02 -.432E-02 -.354E-02   0.970E-03 -.557E-03 0.199E-03
   0.291E+01 0.240E+01 0.154E+02   -.293E+01 -.241E+01 -.154E+02   0.132E-01 0.150E-01 0.293E-02   0.865E-03 -.325E-03 0.833E-04
   -.453E+01 0.102E+01 0.163E+02   0.455E+01 -.104E+01 -.163E+02   -.201E-01 0.170E-01 -.195E-02   0.637E-03 -.323E-03 0.524E-04
   -.113E+02 -.504E+01 0.186E+02   0.113E+02 0.505E+01 -.185E+02   -.240E-01 -.920E-02 -.545E-01   0.534E-03 -.538E-03 0.134E-03
   -.579E+01 -.688E+01 0.203E+02   0.580E+01 0.692E+01 -.203E+02   -.697E-02 -.322E-01 -.207E-01   0.597E-03 -.531E-03 0.236E-03
 -----------------------------------------------------------------------------------------------
   -.183E-02 0.315E-03 0.853E+01   0.353E-12 -.746E-13 -.146E-12   0.227E-15 0.236E-15 -.851E+01   -.129E-06 0.723E-07 0.676E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85305      6.06087     12.31840         0.000000      0.000000      0.022881
      2.25929      6.76449     13.63907         0.007649      0.013248      0.012666
      1.44681      5.35724     13.63907        -0.007649     -0.013248      0.012666
      0.00051     -0.00030      9.93634         0.003530     -0.002038     -0.002209
     11.11228      2.13963      9.93892         0.002549     -0.003301     -0.004282
      9.87688      4.27911      9.95269        -0.000066     -0.000619     -0.000173
      8.64352      6.41843      9.95307         0.001497     -0.000025     -0.000926
     -4.93612      8.55544      9.94630         0.002976     -0.001394      0.000770
      2.47021     -0.00102      9.94630         0.002695     -0.001880      0.000770
      1.23473      2.13618      9.95215         0.003671      0.000200     -0.000407
     -0.00387      4.27500      9.98299         0.002741     -0.003954      0.002651
     -1.23832      6.41602      9.99019         0.002875     -0.001872     -0.000437
     -2.46698      8.55504      9.96115         0.003398     -0.001962     -0.000513
      4.93863      0.00137      9.95307         0.000770     -0.001284     -0.000926
      3.70490      2.13660      9.96146         0.001705      0.000095     -0.001231
      2.47078      4.26310     10.02869         0.004669     -0.000063     -0.001231
      1.22842      6.42150     10.10208         0.006246     -0.003606     -0.010093
     -0.00021      8.56050      9.99019         0.003059     -0.001554     -0.000437
      7.40802      0.00291      9.95269         0.000503      0.000367     -0.000173
      6.17347      2.14020      9.95335         0.002962     -0.001870     -0.001329
      4.94044      4.27836      9.98412         0.003636     -0.002099     -0.000111
      3.71883      6.42478     10.02869         0.002389     -0.004012     -0.001231
      2.47119      8.56194      9.98299         0.004795     -0.000397      0.002651
      9.87857      0.00276      9.93892         0.004133     -0.000557     -0.004282
      8.64276      2.14083      9.94150         0.002546     -0.001470      0.002006
      7.40865      4.27961      9.95335         0.003101     -0.001630     -0.001329
      6.17749      6.41926      9.96146         0.000770     -0.001524     -0.001231
      4.94277      8.55869      9.95215         0.001662     -0.003279     -0.000407
     -0.00035      1.42478      9.93892        -0.004133      0.000557     -0.004282
     -1.23666      3.56304      9.95215        -0.001662      0.003279     -0.000407
     -2.47138      5.70247      9.96146        -0.000770      0.001524     -0.001231
     -3.70255      7.84212      9.95335        -0.003101      0.001630     -0.001329
     -4.93665      9.98090      9.94150        -0.002546      0.001470      0.002006
      2.47020      1.42462      9.95269        -0.000503     -0.000367     -0.000173
      1.23491      3.55979      9.98299        -0.004795      0.000397      0.002651
     -0.01273      5.69695     10.02869        -0.002389      0.004012     -0.001231
     -1.23434      7.84337      9.98412        -0.003636      0.002099     -0.000111
     -2.46736      9.98153      9.95335        -0.002962      0.001870     -0.001329
      4.93959      1.42617      9.95307        -0.000770      0.001284     -0.000926
      3.70631      3.56124      9.99019        -0.003059      0.001554     -0.000437
      2.47769      5.70023     10.10208        -0.006246      0.003606     -0.010093
      1.23532      7.85863     10.02869        -0.004669      0.000063     -0.001231
      0.00121      9.98513      9.96146        -0.001705     -0.000095     -0.001231
      7.40801      1.42856      9.94630        -0.002695      0.001880      0.000770
      6.17309      3.56669      9.96115        -0.003398      0.001962     -0.000513
      4.94443      5.70571      9.99019        -0.002875      0.001872     -0.000437
      3.70998      7.84673      9.98299        -0.002741      0.003954      0.002651
      2.47137      9.98555      9.95215        -0.003671     -0.000200     -0.000407
      9.87771      1.42783      9.93634        -0.003530      0.002038     -0.002209
      8.64223      3.56629      9.94630        -0.002976      0.001394      0.000770
      7.41009      5.70520      9.95307        -0.001497      0.000025     -0.000926
      6.17673      7.84452      9.95269         0.000066      0.000619     -0.000173
      4.94132      9.98400      9.93892        -0.002549      0.003301     -0.004282
 -----------------------------------------------------------------------------------
    total drift:                               -0.001834      0.000315      0.017999


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




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


    WAVPRE:  VPU time    1.94: CPU time    1.94
    FEWALD:  VPU time    0.02: CPU time    0.01
    GENKIN:  VPU time    1.36: CPU time    1.36
    ORTHCH:  VPU time  183.04: CPU time   91.78
     LOOP+:  VPU time 5127.65: CPU time 2638.33


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


    POTLOK:  VPU time    9.09: CPU time    9.03
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1355.99: CPU time  701.57
 BZINTS: Fermi energy: -3.153399;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  113.23: CPU time   57.14
    MIXING:  VPU time    0.15: CPU time    0.14
    ------------------------------------------
      LOOP:  VPU time 1478.86: CPU time  768.26

 eigenvalue-minimisations  :  3936
 total energy-change (2. order) :-0.4716449E+03  (-0.4229761E-05)
 number of electron  212.0000067 magnetization    0.0000000
 augmentation part     7.9600162 magnetization   -0.0000001

 Broyden mixing:
  rms(total) = 0.29606E-03    rms(broyden)= 0.29602E-03
  rms(prec ) = 0.31647E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34042.25704952
  -1/2 Hartree   DENC   =    -40942.39942842
  -V(xc)+E(xc)   XCENC  =       726.60616803
  PAW double counting   =      4092.78704092    -4131.17225110
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.16334849
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64491596 eV

  energy without entropy =     -471.64491596  energy(sigma->0) =     -471.64491596


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




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


    POTLOK:  VPU time    9.05: CPU time    9.05
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1397.19: CPU time  721.42
 BZINTS: Fermi energy: -3.153082;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1406.64: CPU time  730.84

 eigenvalue-minimisations  :  4136
 total energy-change (2. order) :-0.3355781E-06  (-0.3683924E-06)
 number of electron  212.0000067 magnetization    0.0000000
 augmentation part     7.9600162 magnetization   -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34042.25704952
  -1/2 Hartree   DENC   =    -40942.40254302
  -V(xc)+E(xc)   XCENC  =       726.60626698
  PAW double counting   =      4092.78996489    -4131.17519920
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.16030906
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64491629 eV

  energy without entropy =     -471.64491629  energy(sigma->0) =     -471.64491629


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




 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 -58.5423       2 -39.9893       3 -39.9893       4 -58.2439       5 -58.2484
       6 -58.2555       7 -58.2464       8 -58.2446       9 -58.2446      10 -58.2605
      11 -58.3151      12 -58.2920      13 -58.2496      14 -58.2464      15 -58.2574
      16 -58.4377      17 -58.7318      18 -58.2920      19 -58.2556      20 -58.2500
      21 -58.2771      22 -58.4377      23 -58.3151      24 -58.2484      25 -58.2433
      26 -58.2500      27 -58.2574      28 -58.2605      29 -58.2483      30 -58.2604
      31 -58.2573      32 -58.2499      33 -58.2432      34 -58.2555      35 -58.3150
      36 -58.4376      37 -58.2770      38 -58.2499      39 -58.2463      40 -58.2919
      41 -58.7317      42 -58.4376      43 -58.2573      44 -58.2445      45 -58.2495
      46 -58.2919      47 -58.3150      48 -58.2604      49 -58.2438      50 -58.2445
      51 -58.2463      52 -58.2555      53 -58.2483
 
 
 
 E-fermi :  -3.1531     XC(G=0):  -2.3432     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3555      1.00000
      2     -21.5361      1.00000
      3     -21.4061      1.00000
      4     -21.4051      1.00000
      5     -21.3739      1.00000
      6     -21.3647      1.00000
      7     -21.3574      1.00000
      8     -19.6457      1.00000
      9     -19.5713      1.00000
     10     -19.5643      1.00000
     11     -19.5578      1.00000
     12     -19.5393      1.00000
     13     -19.5365      1.00000
     14     -18.7275      1.00000
     15     -18.6787      1.00000
     16     -18.6714      1.00000
     17     -18.6578      1.00000
     18     -18.6423      1.00000
     19     -18.6404      1.00000
     20     -16.5860      1.00000
     21     -16.5259      1.00000
     22     -16.5233      1.00000
     23     -16.5104      1.00000
     24     -16.4860      1.00000
     25     -16.4842      1.00000
     26     -15.5578      1.00000
     27     -15.5255      1.00000
     28     -15.5247      1.00000
     29     -15.4991      1.00000
     30     -15.4937      1.00000
     31     -15.4882      1.00000
     32     -14.2060      1.00000
     33     -14.1797      1.00000
     34     -14.1666      1.00000
     35     -14.1644      1.00000
     36     -14.1590      1.00000
     37     -14.1477      1.00000
     38     -11.8848      1.00000
     39     -11.8075      1.00000
     40     -11.7918      1.00000
     41     -11.7913      1.00000
     42     -11.7881      1.00000
     43     -11.7825      1.00000
     44     -11.7041      1.00000
     45     -11.6973      1.00000
     46     -11.6718      1.00000
     47     -11.6572      1.00000
     48     -11.6567      1.00000
     49     -11.6496      1.00000
     50     -10.6758      1.00000
     51     -10.3284      1.00000
     52     -10.3207      1.00000
     53     -10.3050      1.00000
     54     -10.3031      1.00000
     55     -10.2903      1.00000
     56     -10.2771      1.00000
     57      -9.9297      1.00000
     58      -9.3724      1.00000
     59      -9.3586      1.00000
     60      -9.2994      1.00000
     61      -9.2911      1.00000
     62      -9.2842      1.00000
     63      -9.0921      1.00000
     64      -9.0545      1.00000
     65      -9.0486      1.00000
     66      -9.0266      1.00000
     67      -9.0059      1.00000
     68      -9.0010      1.00000
     69      -8.9996      1.00000
     70      -8.9946      1.00000
     71      -8.9913      1.00000
     72      -8.9719      1.00000
     73      -8.9642      1.00000
     74      -8.9531      1.00000
     75      -8.5083      1.00000
     76      -7.5128      1.00000
     77      -7.4105      1.00000
     78      -7.4102      1.00000
     79      -7.4012      1.00000
     80      -7.3832      1.00000
     81      -7.3633      1.00000
     82      -7.3409      1.00000
     83      -7.3079      1.00000
     84      -7.2693      1.00000
     85      -7.2055      1.00000
     86      -7.1791      1.00000
     87      -7.1789      1.00000
     88      -7.0721      1.00000
     89      -6.5095      1.00000
     90      -6.4607      1.00000
     91      -6.3546      1.00000
     92      -6.2925      1.00000
     93      -6.2870      1.00000
     94      -6.2858      1.00000
     95      -5.8962      1.00000
     96      -5.8846      1.00000
     97      -5.0526      1.00000
     98      -4.9367      1.00000
     99      -4.5394      1.00000
    100      -4.3399      1.00000
    101      -4.3173      1.00000
    102      -4.3163      1.00000
    103      -4.1156      1.00000
    104      -3.9128      1.00000
    105      -3.9015      1.00000
    106      -3.8363      1.00000
    107      -1.6809      0.00000
    108      -1.6679      0.00000
    109      -1.5364      0.00000
    110      -1.5345      0.00000
    111      -1.5215      0.00000
    112      -1.5087      0.00000
    113      -0.5817      0.00000
    114       0.1342      0.00000
    115       0.2055      0.00000
    116       0.3252      0.00000
    117       0.3271      0.00000
    118       0.3343      0.00000
    119       0.4980      0.00000
    120       0.5968      0.00000
    121       1.2604      0.00000
    122       1.2760      0.00000
    123       1.5276      0.00000
    124       1.7952      0.00000
    125       1.8043      0.00000
    126       1.8077      0.00000
    127       1.8125      0.00000
    128       1.9457      0.00000
    129       1.9802      0.00000
    130       2.0322      0.00000
    131       2.0456      0.00000
    132       2.0508      0.00000
    133       2.0556      0.00000
    134       2.0610      0.00000
    135       2.3080      0.00000
    136       2.3231      0.00000
    137       2.6128      0.00000
    138       2.6208      0.00000
    139       2.6490      0.00000
    140       2.7262      0.00000
    141       2.8622      0.00000
    142       3.0246      0.00000
    143       3.0541      0.00000
    144       3.0847      0.00000
    145       3.0986      0.00000
    146       3.1005      0.00000
    147       3.1007      0.00000
    148       3.2329      0.00000
    149       3.4499      0.00000
    150       3.5396      0.00000
    151       3.7832      0.00000
    152       3.9425      0.00000
    153       3.9427      0.00000
    154       3.9535      0.00000
    155       3.9576      0.00000
    156       3.9975      0.00000
    157       4.1828      0.00000
    158       4.2701      0.00000
    159       4.2883      0.00000
    160       4.2887      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3189      1.00000
      2     -21.7604      1.00000
      3     -21.5697      1.00000
      4     -21.5368      1.00000
      5     -21.2069      1.00000
      6     -21.1619      1.00000
      7     -20.9862      1.00000
      8     -20.1009      1.00000
      9     -20.0567      1.00000
     10     -19.5455      1.00000
     11     -19.5206      1.00000
     12     -19.3483      1.00000
     13     -19.0241      1.00000
     14     -18.9886      1.00000
     15     -18.9806      1.00000
     16     -18.9682      1.00000
     17     -18.2966      1.00000
     18     -18.2771      1.00000
     19     -17.9513      1.00000
     20     -17.0093      1.00000
     21     -16.9588      1.00000
     22     -16.8779      1.00000
     23     -16.8678      1.00000
     24     -16.4041      1.00000
     25     -16.3892      1.00000
     26     -15.5510      1.00000
     27     -15.5350      1.00000
     28     -15.1971      1.00000
     29     -15.1683      1.00000
     30     -15.1140      1.00000
     31     -15.0269      1.00000
     32     -15.0022      1.00000
     33     -14.6355      1.00000
     34     -14.6235      1.00000
     35     -13.6667      1.00000
     36     -13.6511      1.00000
     37     -13.1691      1.00000
     38     -12.5507      1.00000
     39     -12.5172      1.00000
     40     -12.3904      1.00000
     41     -12.3772      1.00000
     42     -12.0570      1.00000
     43     -12.0336      1.00000
     44     -11.6587      1.00000
     45     -11.6161      1.00000
     46     -11.1805      1.00000
     47     -11.1564      1.00000
     48     -10.9648      1.00000
     49     -10.9402      1.00000
     50     -10.8732      1.00000
     51     -10.8364      1.00000
     52     -10.6035      1.00000
     53     -10.0933      1.00000
     54     -10.0884      1.00000
     55     -10.0466      1.00000
     56      -9.9712      1.00000
     57      -9.6538      1.00000
     58      -9.6290      1.00000
     59      -9.5910      1.00000
     60      -9.5294      1.00000
     61      -9.5097      1.00000
     62      -9.4780      1.00000
     63      -9.2648      1.00000
     64      -9.2410      1.00000
     65      -9.2204      1.00000
     66      -9.1652      1.00000
     67      -9.0678      1.00000
     68      -9.0466      1.00000
     69      -9.0399      1.00000
     70      -8.8824      1.00000
     71      -8.8054      1.00000
     72      -8.5802      1.00000
     73      -8.5219      1.00000
     74      -8.4649      1.00000
     75      -8.0350      1.00000
     76      -7.8125      1.00000
     77      -7.8065      1.00000
     78      -7.7921      1.00000
     79      -7.6995      1.00000
     80      -7.6903      1.00000
     81      -7.3613      1.00000
     82      -7.2742      1.00000
     83      -7.2636      1.00000
     84      -7.2146      1.00000
     85      -7.1719      1.00000
     86      -7.0076      1.00000
     87      -6.9465      1.00000
     88      -6.7470      1.00000
     89      -6.6718      1.00000
     90      -6.5932      1.00000
     91      -6.5585      1.00000
     92      -6.0505      1.00000
     93      -6.0474      1.00000
     94      -6.0214      1.00000
     95      -5.9577      1.00000
     96      -5.7357      1.00000
     97      -5.1589      1.00000
     98      -4.9898      1.00000
     99      -4.7184      1.00000
    100      -4.6102      1.00000
    101      -4.4403      1.00000
    102      -4.3738      1.00000
    103      -4.1225      1.00000
    104      -3.8682      1.00000
    105      -3.8360      1.00000
    106      -3.7905      1.00000
    107      -1.7851      0.00000
    108      -1.7379      0.00000
    109      -1.3938      0.00000
    110      -1.3456      0.00000
    111      -1.2636      0.00000
    112      -1.2256      0.00000
    113      -0.7435      0.00000
    114      -0.3778      0.00000
    115      -0.2196      0.00000
    116      -0.0163      0.00000
    117       0.5913      0.00000
    118       0.7370      0.00000
    119       0.7641      0.00000
    120       1.0502      0.00000
    121       1.1417      0.00000
    122       1.2513      0.00000
    123       1.2733      0.00000
    124       1.4158      0.00000
    125       1.4801      0.00000
    126       1.5866      0.00000
    127       1.7577      0.00000
    128       1.8406      0.00000
    129       1.8963      0.00000
    130       1.9597      0.00000
    131       2.1082      0.00000
    132       2.2366      0.00000
    133       2.2498      0.00000
    134       2.2966      0.00000
    135       2.4879      0.00000
    136       2.6147      0.00000
    137       2.6376      0.00000
    138       2.7672      0.00000
    139       2.7986      0.00000
    140       2.8561      0.00000
    141       2.8670      0.00000
    142       2.8924      0.00000
    143       2.9598      0.00000
    144       3.0835      0.00000
    145       3.2820      0.00000
    146       3.3072      0.00000
    147       3.3737      0.00000
    148       3.4075      0.00000
    149       3.4669      0.00000
    150       3.5865      0.00000
    151       3.6364      0.00000
    152       3.6685      0.00000
    153       3.7061      0.00000
    154       3.9065      0.00000
    155       3.9427      0.00000
    156       3.9823      0.00000
    157       4.0863      0.00000
    158       4.2037      0.00000
    159       4.2422      0.00000
    160       4.2986      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2133      1.00000
      2     -22.0070      1.00000
      3     -21.6484      1.00000
      4     -21.6112      1.00000
      5     -20.9122      1.00000
      6     -20.8657      1.00000
      7     -20.5449      1.00000
      8     -20.5054      1.00000
      9     -20.4950      1.00000
     10     -19.9627      1.00000
     11     -19.4417      1.00000
     12     -19.4143      1.00000
     13     -19.2408      1.00000
     14     -19.2262      1.00000
     15     -18.3835      1.00000
     16     -18.3391      1.00000
     17     -17.8594      1.00000
     18     -17.8381      1.00000
     19     -17.6974      1.00000
     20     -17.6545      1.00000
     21     -17.3714      1.00000
     22     -17.3552      1.00000
     23     -17.2737      1.00000
     24     -16.4006      1.00000
     25     -16.3856      1.00000
     26     -15.8958      1.00000
     27     -15.3518      1.00000
     28     -15.3364      1.00000
     29     -15.0340      1.00000
     30     -15.0201      1.00000
     31     -14.7992      1.00000
     32     -14.7741      1.00000
     33     -14.2214      1.00000
     34     -14.1893      1.00000
     35     -13.3706      1.00000
     36     -13.3367      1.00000
     37     -13.1194      1.00000
     38     -13.1016      1.00000
     39     -12.9156      1.00000
     40     -12.9020      1.00000
     41     -12.5563      1.00000
     42     -12.5380      1.00000
     43     -12.1328      1.00000
     44     -11.5217      1.00000
     45     -11.4730      1.00000
     46     -11.2532      1.00000
     47     -11.2190      1.00000
     48     -11.0794      1.00000
     49     -10.6610      1.00000
     50     -10.5883      1.00000
     51     -10.5237      1.00000
     52     -10.2576      1.00000
     53     -10.2482      1.00000
     54     -10.1225      1.00000
     55     -10.0482      1.00000
     56     -10.0403      1.00000
     57      -9.7703      1.00000
     58      -9.7053      1.00000
     59      -9.6792      1.00000
     60      -9.6296      1.00000
     61      -9.6260      1.00000
     62      -9.5870      1.00000
     63      -9.2944      1.00000
     64      -9.2849      1.00000
     65      -9.2527      1.00000
     66      -9.0912      1.00000
     67      -8.8970      1.00000
     68      -8.8826      1.00000
     69      -8.7242      1.00000
     70      -8.5908      1.00000
     71      -8.5134      1.00000
     72      -8.3305      1.00000
     73      -8.3022      1.00000
     74      -8.2641      1.00000
     75      -8.2319      1.00000
     76      -8.1944      1.00000
     77      -8.1853      1.00000
     78      -8.1701      1.00000
     79      -8.1061      1.00000
     80      -7.6884      1.00000
     81      -7.3547      1.00000
     82      -7.3097      1.00000
     83      -7.2637      1.00000
     84      -7.1873      1.00000
     85      -7.1241      1.00000
     86      -7.0762      1.00000
     87      -6.9065      1.00000
     88      -6.8818      1.00000
     89      -6.5487      1.00000
     90      -6.4923      1.00000
     91      -6.2092      1.00000
     92      -6.0700      1.00000
     93      -5.9419      1.00000
     94      -5.7159      1.00000
     95      -5.6324      1.00000
     96      -5.4521      1.00000
     97      -5.3050      1.00000
     98      -5.2335      1.00000
     99      -5.1514      1.00000
    100      -5.1510      1.00000
    101      -4.5246      1.00000
    102      -4.4708      1.00000
    103      -4.1437      1.00000
    104      -3.8391      1.00000
    105      -3.7572      1.00000
    106      -3.6791      1.00000
    107      -1.8709      0.00000
    108      -1.8233      0.00000
    109      -1.2760      0.00000
    110      -1.0357      0.00000
    111      -1.0113      0.00000
    112      -0.7113      0.00000
    113      -0.6395      0.00000
    114      -0.5879      0.00000
    115      -0.5457      0.00000
    116      -0.1988      0.00000
    117       0.2529      0.00000
    118       0.2789      0.00000
    119       0.7617      0.00000
    120       0.9467      0.00000
    121       1.1330      0.00000
    122       1.2268      0.00000
    123       1.3214      0.00000
    124       1.4139      0.00000
    125       1.6014      0.00000
    126       1.6340      0.00000
    127       1.7017      0.00000
    128       1.8249      0.00000
    129       1.9204      0.00000
    130       2.0128      0.00000
    131       2.1077      0.00000
    132       2.3299      0.00000
    133       2.3962      0.00000
    134       2.4339      0.00000
    135       2.5422      0.00000
    136       2.6343      0.00000
    137       2.7553      0.00000
    138       2.8214      0.00000
    139       2.8336      0.00000
    140       2.8875      0.00000
    141       3.0409      0.00000
    142       3.0904      0.00000
    143       3.1874      0.00000
    144       3.2400      0.00000
    145       3.3883      0.00000
    146       3.4227      0.00000
    147       3.4814      0.00000
    148       3.5734      0.00000
    149       3.6004      0.00000
    150       3.6276      0.00000
    151       3.6518      0.00000
    152       3.7431      0.00000
    153       3.7721      0.00000
    154       3.7883      0.00000
    155       3.8066      0.00000
    156       3.8978      0.00000
    157       3.9776      0.00000
    158       4.0113      0.00000
    159       4.1768      0.00000
    160       4.2388      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2471      1.00000
      2     -21.8928      1.00000
      3     -21.8221      1.00000
      4     -21.3108      1.00000
      5     -21.2805      1.00000
      6     -20.7697      1.00000
      7     -20.7036      1.00000
      8     -20.5553      1.00000
      9     -20.0078      1.00000
     10     -20.0005      1.00000
     11     -19.6470      1.00000
     12     -19.6226      1.00000
     13     -18.9285      1.00000
     14     -18.9201      1.00000
     15     -18.5695      1.00000
     16     -18.5557      1.00000
     17     -18.3931      1.00000
     18     -17.6145      1.00000
     19     -17.5579      1.00000
     20     -17.5527      1.00000
     21     -17.5111      1.00000
     22     -17.0549      1.00000
     23     -17.0373      1.00000
     24     -16.8904      1.00000
     25     -15.9288      1.00000
     26     -15.8664      1.00000
     27     -15.5157      1.00000
     28     -15.5146      1.00000
     29     -15.2277      1.00000
     30     -14.7937      1.00000
     31     -14.7664      1.00000
     32     -14.5148      1.00000
     33     -14.4703      1.00000
     34     -14.1009      1.00000
     35     -14.0896      1.00000
     36     -13.0756      1.00000
     37     -13.0324      1.00000
     38     -12.9661      1.00000
     39     -12.9540      1.00000
     40     -12.6447      1.00000
     41     -12.6381      1.00000
     42     -12.2733      1.00000
     43     -12.2417      1.00000
     44     -11.5873      1.00000
     45     -11.5597      1.00000
     46     -11.5054      1.00000
     47     -10.9047      1.00000
     48     -10.8500      1.00000
     49     -10.6232      1.00000
     50     -10.5587      1.00000
     51     -10.4840      1.00000
     52     -10.4327      1.00000
     53     -10.4226      1.00000
     54     -10.3705      1.00000
     55     -10.2933      1.00000
     56     -10.0656      1.00000
     57      -9.8323      1.00000
     58      -9.5483      1.00000
     59      -9.4876      1.00000
     60      -9.4731      1.00000
     61      -9.3454      1.00000
     62      -9.3300      1.00000
     63      -9.3098      1.00000
     64      -9.3076      1.00000
     65      -9.2136      1.00000
     66      -9.1114      1.00000
     67      -9.0799      1.00000
     68      -9.0486      1.00000
     69      -8.8502      1.00000
     70      -8.7920      1.00000
     71      -8.7734      1.00000
     72      -8.5263      1.00000
     73      -8.4763      1.00000
     74      -8.2254      1.00000
     75      -8.1100      1.00000
     76      -8.0985      1.00000
     77      -7.8080      1.00000
     78      -7.7835      1.00000
     79      -7.7811      1.00000
     80      -7.6739      1.00000
     81      -7.6312      1.00000
     82      -7.6300      1.00000
     83      -7.3990      1.00000
     84      -7.3241      1.00000
     85      -7.1966      1.00000
     86      -6.8389      1.00000
     87      -6.8287      1.00000
     88      -6.6627      1.00000
     89      -6.5378      1.00000
     90      -6.3444      1.00000
     91      -6.3073      1.00000
     92      -6.1834      1.00000
     93      -6.1469      1.00000
     94      -5.9767      1.00000
     95      -5.5716      1.00000
     96      -5.4255      1.00000
     97      -5.2580      1.00000
     98      -5.2530      1.00000
     99      -5.1485      1.00000
    100      -4.6954      1.00000
    101      -4.6644      1.00000
    102      -4.3491      1.00000
    103      -4.3171      1.00000
    104      -3.9650      1.00000
    105      -3.8327      1.00000
    106      -3.3888      1.00000
    107      -2.2199      0.00000
    108      -1.3766      0.00000
    109      -1.2856      0.00000
    110      -1.1725      0.00000
    111      -1.0770      0.00000
    112      -0.8934      0.00000
    113      -0.7675      0.00000
    114      -0.7569      0.00000
    115      -0.2140      0.00000
    116       0.1139      0.00000
    117       0.2642      0.00000
    118       0.3461      0.00000
    119       0.7352      0.00000
    120       0.9038      0.00000
    121       0.9723      0.00000
    122       1.0956      0.00000
    123       1.2104      0.00000
    124       1.5305      0.00000
    125       1.5640      0.00000
    126       1.7164      0.00000
    127       1.8390      0.00000
    128       1.8627      0.00000
    129       1.9703      0.00000
    130       1.9999      0.00000
    131       2.1597      0.00000
    132       2.2689      0.00000
    133       2.4559      0.00000
    134       2.4684      0.00000
    135       2.5072      0.00000
    136       2.6664      0.00000
    137       2.6869      0.00000
    138       2.7335      0.00000
    139       2.7434      0.00000
    140       2.8937      0.00000
    141       3.0230      0.00000
    142       3.0822      0.00000
    143       3.1944      0.00000
    144       3.2549      0.00000
    145       3.2582      0.00000
    146       3.2693      0.00000
    147       3.3593      0.00000
    148       3.4839      0.00000
    149       3.5301      0.00000
    150       3.6984      0.00000
    151       3.7584      0.00000
    152       3.7703      0.00000
    153       3.8351      0.00000
    154       3.8804      0.00000
    155       3.9434      0.00000
    156       3.9834      0.00000
    157       4.0224      0.00000
    158       4.0492      0.00000
    159       4.0557      0.00000
    160       4.1235      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1412      1.00000
      2     -22.0458      1.00000
      3     -21.8857      1.00000
      4     -21.3338      1.00000
      5     -20.9810      1.00000
      6     -20.9423      1.00000
      7     -20.4326      1.00000
      8     -20.3898      1.00000
      9     -20.2257      1.00000
     10     -20.2042      1.00000
     11     -19.8883      1.00000
     12     -19.8205      1.00000
     13     -18.8141      1.00000
     14     -18.7428      1.00000
     15     -18.2894      1.00000
     16     -18.2357      1.00000
     17     -18.0851      1.00000
     18     -18.0649      1.00000
     19     -17.7609      1.00000
     20     -17.7184      1.00000
     21     -17.1882      1.00000
     22     -17.1691      1.00000
     23     -17.0990      1.00000
     24     -17.0630      1.00000
     25     -16.0372      1.00000
     26     -15.8221      1.00000
     27     -15.7989      1.00000
     28     -15.7639      1.00000
     29     -15.1732      1.00000
     30     -14.4905      1.00000
     31     -14.4576      1.00000
     32     -14.2173      1.00000
     33     -13.8946      1.00000
     34     -13.8896      1.00000
     35     -13.7555      1.00000
     36     -13.7353      1.00000
     37     -13.5511      1.00000
     38     -13.5023      1.00000
     39     -13.2991      1.00000
     40     -12.5636      1.00000
     41     -12.1250      1.00000
     42     -12.0653      1.00000
     43     -12.0094      1.00000
     44     -11.9506      1.00000
     45     -11.6108      1.00000
     46     -11.5876      1.00000
     47     -11.0852      1.00000
     48     -11.0513      1.00000
     49     -10.7535      1.00000
     50     -10.6631      1.00000
     51     -10.5278      1.00000
     52     -10.1486      1.00000
     53     -10.1377      1.00000
     54     -10.0953      1.00000
     55      -9.9525      1.00000
     56      -9.9474      1.00000
     57      -9.9165      1.00000
     58      -9.7372      1.00000
     59      -9.7310      1.00000
     60      -9.7001      1.00000
     61      -9.6904      1.00000
     62      -9.4307      1.00000
     63      -9.3626      1.00000
     64      -9.0879      1.00000
     65      -9.0066      1.00000
     66      -8.9739      1.00000
     67      -8.8873      1.00000
     68      -8.8104      1.00000
     69      -8.6583      1.00000
     70      -8.6348      1.00000
     71      -8.5806      1.00000
     72      -8.4776      1.00000
     73      -8.4672      1.00000
     74      -8.3977      1.00000
     75      -8.3937      1.00000
     76      -8.1831      1.00000
     77      -8.1156      1.00000
     78      -7.9763      1.00000
     79      -7.9168      1.00000
     80      -7.8465      1.00000
     81      -7.6186      1.00000
     82      -7.5297      1.00000
     83      -7.4683      1.00000
     84      -7.2522      1.00000
     85      -6.9344      1.00000
     86      -6.8574      1.00000
     87      -6.8107      1.00000
     88      -6.5754      1.00000
     89      -6.4666      1.00000
     90      -6.4197      1.00000
     91      -6.3558      1.00000
     92      -6.0524      1.00000
     93      -5.8778      1.00000
     94      -5.7526      1.00000
     95      -5.7210      1.00000
     96      -5.4773      1.00000
     97      -5.3459      1.00000
     98      -5.1797      1.00000
     99      -5.1555      1.00000
    100      -5.1540      1.00000
    101      -4.7078      1.00000
    102      -4.4411      1.00000
    103      -4.2571      1.00000
    104      -3.9967      1.00000
    105      -3.8316      1.00000
    106      -3.1554      1.00000
    107      -2.4626      0.00000
    108      -1.3779      0.00000
    109      -1.2410      0.00000
    110      -1.1456      0.00000
    111      -1.1140      0.00000
    112      -0.5619      0.00000
    113      -0.4343      0.00000
    114      -0.4288      0.00000
    115      -0.3097      0.00000
    116      -0.1890      0.00000
    117       0.0622      0.00000
    118       0.1184      0.00000
    119       0.5407      0.00000
    120       0.6846      0.00000
    121       0.8725      0.00000
    122       0.9695      0.00000
    123       1.1125      0.00000
    124       1.4968      0.00000
    125       1.6635      0.00000
    126       1.8039      0.00000
    127       1.8773      0.00000
    128       2.0935      0.00000
    129       2.1386      0.00000
    130       2.1979      0.00000
    131       2.2147      0.00000
    132       2.3404      0.00000
    133       2.3619      0.00000
    134       2.4889      0.00000
    135       2.5814      0.00000
    136       2.6689      0.00000
    137       2.8794      0.00000
    138       2.9381      0.00000
    139       2.9667      0.00000
    140       2.9903      0.00000
    141       3.0410      0.00000
    142       3.1511      0.00000
    143       3.1810      0.00000
    144       3.2448      0.00000
    145       3.2913      0.00000
    146       3.3330      0.00000
    147       3.3503      0.00000
    148       3.3803      0.00000
    149       3.4140      0.00000
    150       3.4970      0.00000
    151       3.5545      0.00000
    152       3.6338      0.00000
    153       3.6946      0.00000
    154       3.7101      0.00000
    155       3.7262      0.00000
    156       3.9210      0.00000
    157       3.9346      0.00000
    158       4.0594      0.00000
    159       4.0902      0.00000
    160       4.2024      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2469      1.00000
      2     -21.8943      1.00000
      3     -21.8206      1.00000
      4     -21.3155      1.00000
      5     -21.2765      1.00000
      6     -20.7707      1.00000
      7     -20.7016      1.00000
      8     -20.5536      1.00000
      9     -20.0221      1.00000
     10     -19.9895      1.00000
     11     -19.6495      1.00000
     12     -19.6183      1.00000
     13     -18.9427      1.00000
     14     -18.9077      1.00000
     15     -18.5833      1.00000
     16     -18.5457      1.00000
     17     -18.3912      1.00000
     18     -17.6014      1.00000
     19     -17.5698      1.00000
     20     -17.5403      1.00000
     21     -17.5075      1.00000
     22     -17.0739      1.00000
     23     -17.0267      1.00000
     24     -16.8993      1.00000
     25     -15.9449      1.00000
     26     -15.8504      1.00000
     27     -15.5325      1.00000
     28     -15.5057      1.00000
     29     -15.2086      1.00000
     30     -14.8132      1.00000
     31     -14.7605      1.00000
     32     -14.5089      1.00000
     33     -14.4670      1.00000
     34     -14.0956      1.00000
     35     -14.0925      1.00000
     36     -13.1044      1.00000
     37     -13.0288      1.00000
     38     -12.9558      1.00000
     39     -12.9488      1.00000
     40     -12.6553      1.00000
     41     -12.6265      1.00000
     42     -12.2734      1.00000
     43     -12.2464      1.00000
     44     -11.5728      1.00000
     45     -11.5530      1.00000
     46     -11.4999      1.00000
     47     -10.8778      1.00000
     48     -10.8689      1.00000
     49     -10.6846      1.00000
     50     -10.5244      1.00000
     51     -10.5198      1.00000
     52     -10.4330      1.00000
     53     -10.4150      1.00000
     54     -10.3692      1.00000
     55     -10.2870      1.00000
     56     -10.0609      1.00000
     57      -9.8311      1.00000
     58      -9.5591      1.00000
     59      -9.4836      1.00000
     60      -9.4457      1.00000
     61      -9.3555      1.00000
     62      -9.3382      1.00000
     63      -9.3069      1.00000
     64      -9.3014      1.00000
     65      -9.2055      1.00000
     66      -9.0989      1.00000
     67      -9.0677      1.00000
     68      -9.0486      1.00000
     69      -8.8537      1.00000
     70      -8.7965      1.00000
     71      -8.7776      1.00000
     72      -8.5264      1.00000
     73      -8.4980      1.00000
     74      -8.2304      1.00000
     75      -8.1293      1.00000
     76      -8.0924      1.00000
     77      -7.8062      1.00000
     78      -7.7667      1.00000
     79      -7.7383      1.00000
     80      -7.7045      1.00000
     81      -7.6349      1.00000
     82      -7.6240      1.00000
     83      -7.3868      1.00000
     84      -7.3434      1.00000
     85      -7.2164      1.00000
     86      -6.8430      1.00000
     87      -6.8199      1.00000
     88      -6.6404      1.00000
     89      -6.5286      1.00000
     90      -6.3407      1.00000
     91      -6.2725      1.00000
     92      -6.1951      1.00000
     93      -6.1312      1.00000
     94      -6.0212      1.00000
     95      -5.6385      1.00000
     96      -5.5080      1.00000
     97      -5.2972      1.00000
     98      -5.1554      1.00000
     99      -5.0397      1.00000
    100      -4.7270      1.00000
    101      -4.6849      1.00000
    102      -4.3678      1.00000
    103      -4.1867      1.00000
    104      -4.0098      1.00000
    105      -3.8310      1.00000
    106      -3.4835      1.00000
    107      -2.1637      0.00000
    108      -1.3825      0.00000
    109      -1.2354      0.00000
    110      -1.1841      0.00000
    111      -1.0134      0.00000
    112      -0.9554      0.00000
    113      -0.7970      0.00000
    114      -0.7515      0.00000
    115      -0.3623      0.00000
    116       0.2452      0.00000
    117       0.2770      0.00000
    118       0.3657      0.00000
    119       0.7015      0.00000
    120       0.8694      0.00000
    121       0.9660      0.00000
    122       1.1280      0.00000
    123       1.2372      0.00000
    124       1.4570      0.00000
    125       1.5566      0.00000
    126       1.7828      0.00000
    127       1.8516      0.00000
    128       1.8836      0.00000
    129       1.9872      0.00000
    130       2.0324      0.00000
    131       2.1978      0.00000
    132       2.2125      0.00000
    133       2.4037      0.00000
    134       2.4528      0.00000
    135       2.5540      0.00000
    136       2.6584      0.00000
    137       2.6851      0.00000
    138       2.7295      0.00000
    139       2.7676      0.00000
    140       2.8561      0.00000
    141       2.9669      0.00000
    142       3.0813      0.00000
    143       3.1895      0.00000
    144       3.2412      0.00000
    145       3.2572      0.00000
    146       3.2948      0.00000
    147       3.3310      0.00000
    148       3.4834      0.00000
    149       3.5103      0.00000
    150       3.7144      0.00000
    151       3.7244      0.00000
    152       3.7703      0.00000
    153       3.8625      0.00000
    154       3.8749      0.00000
    155       3.8985      0.00000
    156       3.9974      0.00000
    157       3.9989      0.00000
    158       4.0510      0.00000
    159       4.0645      0.00000
    160       4.0974      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3189      1.00000
      2     -21.7608      1.00000
      3     -21.5670      1.00000
      4     -21.5397      1.00000
      5     -21.2042      1.00000
      6     -21.1652      1.00000
      7     -20.9848      1.00000
      8     -20.0979      1.00000
      9     -20.0589      1.00000
     10     -19.5456      1.00000
     11     -19.5254      1.00000
     12     -19.3439      1.00000
     13     -19.0274      1.00000
     14     -18.9873      1.00000
     15     -18.9767      1.00000
     16     -18.9710      1.00000
     17     -18.2952      1.00000
     18     -18.2817      1.00000
     19     -17.9454      1.00000
     20     -17.0000      1.00000
     21     -16.9588      1.00000
     22     -16.8819      1.00000
     23     -16.8690      1.00000
     24     -16.4156      1.00000
     25     -16.3926      1.00000
     26     -15.5403      1.00000
     27     -15.5368      1.00000
     28     -15.1722      1.00000
     29     -15.1706      1.00000
     30     -15.1303      1.00000
     31     -15.0355      1.00000
     32     -15.0001      1.00000
     33     -14.6329      1.00000
     34     -14.6258      1.00000
     35     -13.6624      1.00000
     36     -13.6522      1.00000
     37     -13.1702      1.00000
     38     -12.5728      1.00000
     39     -12.5125      1.00000
     40     -12.3848      1.00000
     41     -12.3843      1.00000
     42     -12.0350      1.00000
     43     -12.0306      1.00000
     44     -11.6547      1.00000
     45     -11.6142      1.00000
     46     -11.2068      1.00000
     47     -11.1566      1.00000
     48     -10.9547      1.00000
     49     -10.9414      1.00000
     50     -10.8601      1.00000
     51     -10.8275      1.00000
     52     -10.6266      1.00000
     53     -10.1474      1.00000
     54     -10.0835      1.00000
     55     -10.0243      1.00000
     56      -9.9459      1.00000
     57      -9.6309      1.00000
     58      -9.6289      1.00000
     59      -9.6024      1.00000
     60      -9.5407      1.00000
     61      -9.5026      1.00000
     62      -9.4779      1.00000
     63      -9.2732      1.00000
     64      -9.2346      1.00000
     65      -9.2066      1.00000
     66      -9.1794      1.00000
     67      -9.0615      1.00000
     68      -9.0462      1.00000
     69      -9.0425      1.00000
     70      -8.8765      1.00000
     71      -8.8085      1.00000
     72      -8.5397      1.00000
     73      -8.5328      1.00000
     74      -8.5048      1.00000
     75      -8.0303      1.00000
     76      -7.8318      1.00000
     77      -7.8020      1.00000
     78      -7.7734      1.00000
     79      -7.7025      1.00000
     80      -7.6837      1.00000
     81      -7.4107      1.00000
     82      -7.2874      1.00000
     83      -7.2509      1.00000
     84      -7.2025      1.00000
     85      -7.0821      1.00000
     86      -7.0729      1.00000
     87      -6.9376      1.00000
     88      -6.7118      1.00000
     89      -6.6739      1.00000
     90      -6.6283      1.00000
     91      -6.5563      1.00000
     92      -6.0713      1.00000
     93      -6.0309      1.00000
     94      -6.0015      1.00000
     95      -5.9362      1.00000
     96      -5.8008      1.00000
     97      -5.1831      1.00000
     98      -4.8957      1.00000
     99      -4.7935      1.00000
    100      -4.6102      1.00000
    101      -4.5119      1.00000
    102      -4.1402      1.00000
    103      -4.0926      1.00000
    104      -3.9308      1.00000
    105      -3.9164      1.00000
    106      -3.8301      1.00000
    107      -1.7512      0.00000
    108      -1.6952      0.00000
    109      -1.4096      0.00000
    110      -1.3709      0.00000
    111      -1.2639      0.00000
    112      -1.2353      0.00000
    113      -0.6209      0.00000
    114      -0.5978      0.00000
    115      -0.1902      0.00000
    116       0.0447      0.00000
    117       0.5848      0.00000
    118       0.7405      0.00000
    119       0.8508      0.00000
    120       0.9291      0.00000
    121       1.1680      0.00000
    122       1.2118      0.00000
    123       1.2479      0.00000
    124       1.4207      0.00000
    125       1.6001      0.00000
    126       1.6397      0.00000
    127       1.7054      0.00000
    128       1.8058      0.00000
    129       1.9231      0.00000
    130       1.9403      0.00000
    131       2.1505      0.00000
    132       2.1736      0.00000
    133       2.2616      0.00000
    134       2.3014      0.00000
    135       2.5430      0.00000
    136       2.5601      0.00000
    137       2.6351      0.00000
    138       2.7608      0.00000
    139       2.8094      0.00000
    140       2.8463      0.00000
    141       2.8939      0.00000
    142       2.9439      0.00000
    143       3.0164      0.00000
    144       3.0285      0.00000
    145       3.0881      0.00000
    146       3.3138      0.00000
    147       3.3695      0.00000
    148       3.4174      0.00000
    149       3.4789      0.00000
    150       3.6018      0.00000
    151       3.6558      0.00000
    152       3.6644      0.00000
    153       3.6787      0.00000
    154       3.8925      0.00000
    155       3.9800      0.00000
    156       4.0277      0.00000
    157       4.0740      0.00000
    158       4.2346      0.00000
    159       4.2560      0.00000
    160       4.2698      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1403      1.00000
      2     -22.0473      1.00000
      3     -21.8852      1.00000
      4     -21.3347      1.00000
      5     -20.9759      1.00000
      6     -20.9465      1.00000
      7     -20.4273      1.00000
      8     -20.3953      1.00000
      9     -20.2151      1.00000
     10     -20.2134      1.00000
     11     -19.8872      1.00000
     12     -19.8232      1.00000
     13     -18.8172      1.00000
     14     -18.7461      1.00000
     15     -18.2650      1.00000
     16     -18.2511      1.00000
     17     -18.0795      1.00000
     18     -18.0730      1.00000
     19     -17.7451      1.00000
     20     -17.7294      1.00000
     21     -17.1944      1.00000
     22     -17.1709      1.00000
     23     -17.0880      1.00000
     24     -17.0673      1.00000
     25     -16.0531      1.00000
     26     -15.8078      1.00000
     27     -15.7983      1.00000
     28     -15.7772      1.00000
     29     -15.1586      1.00000
     30     -14.4852      1.00000
     31     -14.4637      1.00000
     32     -14.2036      1.00000
     33     -13.9161      1.00000
     34     -13.8858      1.00000
     35     -13.7586      1.00000
     36     -13.7380      1.00000
     37     -13.5358      1.00000
     38     -13.5098      1.00000
     39     -13.3006      1.00000
     40     -12.5760      1.00000
     41     -12.1009      1.00000
     42     -12.0767      1.00000
     43     -11.9982      1.00000
     44     -11.9502      1.00000
     45     -11.6053      1.00000
     46     -11.5972      1.00000
     47     -11.0847      1.00000
     48     -11.0609      1.00000
     49     -10.7325      1.00000
     50     -10.6640      1.00000
     51     -10.5618      1.00000
     52     -10.1391      1.00000
     53     -10.1344      1.00000
     54     -10.1000      1.00000
     55      -9.9657      1.00000
     56      -9.9246      1.00000
     57      -9.9206      1.00000
     58      -9.7507      1.00000
     59      -9.7284      1.00000
     60      -9.6969      1.00000
     61      -9.6945      1.00000
     62      -9.4022      1.00000
     63      -9.3892      1.00000
     64      -9.0705      1.00000
     65      -8.9816      1.00000
     66      -8.9808      1.00000
     67      -8.9061      1.00000
     68      -8.8112      1.00000
     69      -8.6497      1.00000
     70      -8.6332      1.00000
     71      -8.5512      1.00000
     72      -8.5021      1.00000
     73      -8.4824      1.00000
     74      -8.3940      1.00000
     75      -8.3817      1.00000
     76      -8.2096      1.00000
     77      -8.1030      1.00000
     78      -8.0067      1.00000
     79      -7.9021      1.00000
     80      -7.8439      1.00000
     81      -7.6216      1.00000
     82      -7.5328      1.00000
     83      -7.4563      1.00000
     84      -7.2494      1.00000
     85      -6.9423      1.00000
     86      -6.8685      1.00000
     87      -6.8088      1.00000
     88      -6.4774      1.00000
     89      -6.4689      1.00000
     90      -6.4087      1.00000
     91      -6.3593      1.00000
     92      -6.1935      1.00000
     93      -5.8575      1.00000
     94      -5.7369      1.00000
     95      -5.7106      1.00000
     96      -5.5245      1.00000
     97      -5.3284      1.00000
     98      -5.1717      1.00000
     99      -5.1669      1.00000
    100      -5.1334      1.00000
    101      -4.6956      1.00000
    102      -4.3482      1.00000
    103      -4.2830      1.00000
    104      -4.0301      1.00000
    105      -3.8325      1.00000
    106      -3.2327      1.00000
    107      -2.4043      0.00000
    108      -1.3443      0.00000
    109      -1.2433      0.00000
    110      -1.1527      0.00000
    111      -1.1081      0.00000
    112      -0.5808      0.00000
    113      -0.5216      0.00000
    114      -0.4334      0.00000
    115      -0.2748      0.00000
    116      -0.0681      0.00000
    117      -0.0098      0.00000
    118       0.0604      0.00000
    119       0.5831      0.00000
    120       0.7112      0.00000
    121       0.8110      0.00000
    122       0.9456      0.00000
    123       1.1847      0.00000
    124       1.5106      0.00000
    125       1.6220      0.00000
    126       1.8599      0.00000
    127       2.0054      0.00000
    128       2.0517      0.00000
    129       2.1136      0.00000
    130       2.1521      0.00000
    131       2.2633      0.00000
    132       2.2864      0.00000
    133       2.3484      0.00000
    134       2.4630      0.00000
    135       2.6102      0.00000
    136       2.7015      0.00000
    137       2.8199      0.00000
    138       2.9153      0.00000
    139       2.9429      0.00000
    140       3.0132      0.00000
    141       3.0482      0.00000
    142       3.1576      0.00000
    143       3.1627      0.00000
    144       3.2235      0.00000
    145       3.2996      0.00000
    146       3.3116      0.00000
    147       3.3535      0.00000
    148       3.3739      0.00000
    149       3.4171      0.00000
    150       3.4502      0.00000
    151       3.5635      0.00000
    152       3.6135      0.00000
    153       3.7017      0.00000
    154       3.7264      0.00000
    155       3.8484      0.00000
    156       3.9039      0.00000
    157       3.9325      0.00000
    158       3.9610      0.00000
    159       4.1475      0.00000
    160       4.1820      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2129      1.00000
      2     -22.0076      1.00000
      3     -21.6457      1.00000
      4     -21.6143      1.00000
      5     -20.9093      1.00000
      6     -20.8684      1.00000
      7     -20.5387      1.00000
      8     -20.5059      1.00000
      9     -20.4991      1.00000
     10     -19.9617      1.00000
     11     -19.4404      1.00000
     12     -19.4184      1.00000
     13     -19.2394      1.00000
     14     -19.2322      1.00000
     15     -18.3756      1.00000
     16     -18.3403      1.00000
     17     -17.8584      1.00000
     18     -17.8422      1.00000
     19     -17.6908      1.00000
     20     -17.6547      1.00000
     21     -17.3718      1.00000
     22     -17.3574      1.00000
     23     -17.2666      1.00000
     24     -16.4133      1.00000
     25     -16.3894      1.00000
     26     -15.9040      1.00000
     27     -15.3432      1.00000
     28     -15.3381      1.00000
     29     -15.0308      1.00000
     30     -15.0208      1.00000
     31     -14.7759      1.00000
     32     -14.7736      1.00000
     33     -14.2372      1.00000
     34     -14.1862      1.00000
     35     -13.3874      1.00000
     36     -13.3327      1.00000
     37     -13.1110      1.00000
     38     -13.1025      1.00000
     39     -12.9173      1.00000
     40     -12.9115      1.00000
     41     -12.5452      1.00000
     42     -12.5372      1.00000
     43     -12.1329      1.00000
     44     -11.5138      1.00000
     45     -11.4690      1.00000
     46     -11.2445      1.00000
     47     -11.2127      1.00000
     48     -11.0862      1.00000
     49     -10.7089      1.00000
     50     -10.5953      1.00000
     51     -10.5092      1.00000
     52     -10.2509      1.00000
     53     -10.2467      1.00000
     54     -10.1213      1.00000
     55     -10.0540      1.00000
     56     -10.0385      1.00000
     57      -9.7858      1.00000
     58      -9.6863      1.00000
     59      -9.6727      1.00000
     60      -9.6371      1.00000
     61      -9.6273      1.00000
     62      -9.5849      1.00000
     63      -9.2956      1.00000
     64      -9.2828      1.00000
     65      -9.2530      1.00000
     66      -9.0683      1.00000
     67      -8.8944      1.00000
     68      -8.8832      1.00000
     69      -8.7179      1.00000
     70      -8.5839      1.00000
     71      -8.5261      1.00000
     72      -8.3508      1.00000
     73      -8.3045      1.00000
     74      -8.2430      1.00000
     75      -8.2374      1.00000
     76      -8.1944      1.00000
     77      -8.1810      1.00000
     78      -8.1693      1.00000
     79      -8.1126      1.00000
     80      -7.6901      1.00000
     81      -7.4155      1.00000
     82      -7.3436      1.00000
     83      -7.2571      1.00000
     84      -7.1680      1.00000
     85      -7.1100      1.00000
     86      -7.0027      1.00000
     87      -6.9035      1.00000
     88      -6.8463      1.00000
     89      -6.5418      1.00000
     90      -6.4979      1.00000
     91      -6.2155      1.00000
     92      -6.2015      1.00000
     93      -5.8939      1.00000
     94      -5.6734      1.00000
     95      -5.6089      1.00000
     96      -5.5798      1.00000
     97      -5.2527      1.00000
     98      -5.2307      1.00000
     99      -5.1643      1.00000
    100      -5.1339      1.00000
    101      -4.5997      1.00000
    102      -4.2528      1.00000
    103      -4.0465      1.00000
    104      -3.8839      1.00000
    105      -3.8441      1.00000
    106      -3.8012      1.00000
    107      -1.8073      0.00000
    108      -1.7797      0.00000
    109      -1.2239      0.00000
    110      -1.1752      0.00000
    111      -0.9735      0.00000
    112      -0.7335      0.00000
    113      -0.6501      0.00000
    114      -0.5935      0.00000
    115      -0.5491      0.00000
    116      -0.1483      0.00000
    117       0.1765      0.00000
    118       0.2886      0.00000
    119       0.7064      0.00000
    120       0.9505      0.00000
    121       1.1683      0.00000
    122       1.2786      0.00000
    123       1.3482      0.00000
    124       1.5129      0.00000
    125       1.6087      0.00000
    126       1.6279      0.00000
    127       1.6924      0.00000
    128       1.7749      0.00000
    129       1.8620      0.00000
    130       2.0789      0.00000
    131       2.1673      0.00000
    132       2.3187      0.00000
    133       2.3942      0.00000
    134       2.4238      0.00000
    135       2.5572      0.00000
    136       2.6250      0.00000
    137       2.6865      0.00000
    138       2.7464      0.00000
    139       2.8163      0.00000
    140       2.9084      0.00000
    141       3.0511      0.00000
    142       3.0619      0.00000
    143       3.1836      0.00000
    144       3.2814      0.00000
    145       3.3792      0.00000
    146       3.4144      0.00000
    147       3.4607      0.00000
    148       3.5445      0.00000
    149       3.5727      0.00000
    150       3.6342      0.00000
    151       3.6639      0.00000
    152       3.7015      0.00000
    153       3.7871      0.00000
    154       3.7987      0.00000
    155       3.8253      0.00000
    156       3.8940      0.00000
    157       3.9083      0.00000
    158       3.9811      0.00000
    159       4.1891      0.00000
    160       4.2345      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3555      1.00000
      2     -21.5361      1.00000
      3     -21.4061      1.00000
      4     -21.4051      1.00000
      5     -21.3739      1.00000
      6     -21.3647      1.00000
      7     -21.3574      1.00000
      8     -19.6457      1.00000
      9     -19.5713      1.00000
     10     -19.5643      1.00000
     11     -19.5578      1.00000
     12     -19.5393      1.00000
     13     -19.5365      1.00000
     14     -18.7275      1.00000
     15     -18.6787      1.00000
     16     -18.6714      1.00000
     17     -18.6578      1.00000
     18     -18.6423      1.00000
     19     -18.6404      1.00000
     20     -16.5860      1.00000
     21     -16.5259      1.00000
     22     -16.5233      1.00000
     23     -16.5104      1.00000
     24     -16.4860      1.00000
     25     -16.4842      1.00000
     26     -15.5578      1.00000
     27     -15.5255      1.00000
     28     -15.5247      1.00000
     29     -15.4991      1.00000
     30     -15.4937      1.00000
     31     -15.4882      1.00000
     32     -14.2060      1.00000
     33     -14.1797      1.00000
     34     -14.1666      1.00000
     35     -14.1644      1.00000
     36     -14.1590      1.00000
     37     -14.1477      1.00000
     38     -11.8848      1.00000
     39     -11.8075      1.00000
     40     -11.7918      1.00000
     41     -11.7913      1.00000
     42     -11.7881      1.00000
     43     -11.7825      1.00000
     44     -11.7041      1.00000
     45     -11.6973      1.00000
     46     -11.6718      1.00000
     47     -11.6572      1.00000
     48     -11.6567      1.00000
     49     -11.6496      1.00000
     50     -10.6758      1.00000
     51     -10.3284      1.00000
     52     -10.3207      1.00000
     53     -10.3050      1.00000
     54     -10.3031      1.00000
     55     -10.2903      1.00000
     56     -10.2771      1.00000
     57      -9.9297      1.00000
     58      -9.3724      1.00000
     59      -9.3586      1.00000
     60      -9.2994      1.00000
     61      -9.2911      1.00000
     62      -9.2842      1.00000
     63      -9.0921      1.00000
     64      -9.0545      1.00000
     65      -9.0486      1.00000
     66      -9.0266      1.00000
     67      -9.0059      1.00000
     68      -9.0010      1.00000
     69      -8.9996      1.00000
     70      -8.9946      1.00000
     71      -8.9913      1.00000
     72      -8.9719      1.00000
     73      -8.9642      1.00000
     74      -8.9531      1.00000
     75      -8.5083      1.00000
     76      -7.5128      1.00000
     77      -7.4105      1.00000
     78      -7.4102      1.00000
     79      -7.4012      1.00000
     80      -7.3832      1.00000
     81      -7.3633      1.00000
     82      -7.3409      1.00000
     83      -7.3079      1.00000
     84      -7.2693      1.00000
     85      -7.2055      1.00000
     86      -7.1791      1.00000
     87      -7.1789      1.00000
     88      -7.0721      1.00000
     89      -6.5095      1.00000
     90      -6.4607      1.00000
     91      -6.3546      1.00000
     92      -6.2925      1.00000
     93      -6.2870      1.00000
     94      -6.2858      1.00000
     95      -5.8962      1.00000
     96      -5.8846      1.00000
     97      -5.0526      1.00000
     98      -4.9367      1.00000
     99      -4.5394      1.00000
    100      -4.3399      1.00000
    101      -4.3173      1.00000
    102      -4.3163      1.00000
    103      -4.1156      1.00000
    104      -3.9128      1.00000
    105      -3.9015      1.00000
    106      -3.8363      1.00000
    107      -1.6809      0.00000
    108      -1.6679      0.00000
    109      -1.5364      0.00000
    110      -1.5345      0.00000
    111      -1.5215      0.00000
    112      -1.5087      0.00000
    113      -0.5817      0.00000
    114       0.1342      0.00000
    115       0.2055      0.00000
    116       0.3252      0.00000
    117       0.3271      0.00000
    118       0.3343      0.00000
    119       0.4980      0.00000
    120       0.5968      0.00000
    121       1.2604      0.00000
    122       1.2760      0.00000
    123       1.5276      0.00000
    124       1.7952      0.00000
    125       1.8043      0.00000
    126       1.8077      0.00000
    127       1.8125      0.00000
    128       1.9457      0.00000
    129       1.9802      0.00000
    130       2.0322      0.00000
    131       2.0456      0.00000
    132       2.0508      0.00000
    133       2.0556      0.00000
    134       2.0610      0.00000
    135       2.3080      0.00000
    136       2.3231      0.00000
    137       2.6128      0.00000
    138       2.6208      0.00000
    139       2.6490      0.00000
    140       2.7262      0.00000
    141       2.8622      0.00000
    142       3.0246      0.00000
    143       3.0541      0.00000
    144       3.0847      0.00000
    145       3.0986      0.00000
    146       3.1005      0.00000
    147       3.1007      0.00000
    148       3.2329      0.00000
    149       3.4499      0.00000
    150       3.5396      0.00000
    151       3.7832      0.00000
    152       3.9425      0.00000
    153       3.9427      0.00000
    154       3.9535      0.00000
    155       3.9576      0.00000
    156       3.9975      0.00000
    157       4.1828      0.00000
    158       4.2701      0.00000
    159       4.2883      0.00000
    160       4.2887      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3189      1.00000
      2     -21.7604      1.00000
      3     -21.5697      1.00000
      4     -21.5368      1.00000
      5     -21.2069      1.00000
      6     -21.1619      1.00000
      7     -20.9862      1.00000
      8     -20.1009      1.00000
      9     -20.0567      1.00000
     10     -19.5455      1.00000
     11     -19.5206      1.00000
     12     -19.3483      1.00000
     13     -19.0241      1.00000
     14     -18.9886      1.00000
     15     -18.9806      1.00000
     16     -18.9682      1.00000
     17     -18.2966      1.00000
     18     -18.2771      1.00000
     19     -17.9513      1.00000
     20     -17.0093      1.00000
     21     -16.9588      1.00000
     22     -16.8779      1.00000
     23     -16.8678      1.00000
     24     -16.4041      1.00000
     25     -16.3892      1.00000
     26     -15.5510      1.00000
     27     -15.5350      1.00000
     28     -15.1971      1.00000
     29     -15.1683      1.00000
     30     -15.1140      1.00000
     31     -15.0269      1.00000
     32     -15.0022      1.00000
     33     -14.6355      1.00000
     34     -14.6235      1.00000
     35     -13.6667      1.00000
     36     -13.6511      1.00000
     37     -13.1691      1.00000
     38     -12.5507      1.00000
     39     -12.5172      1.00000
     40     -12.3904      1.00000
     41     -12.3772      1.00000
     42     -12.0570      1.00000
     43     -12.0336      1.00000
     44     -11.6587      1.00000
     45     -11.6161      1.00000
     46     -11.1805      1.00000
     47     -11.1564      1.00000
     48     -10.9648      1.00000
     49     -10.9402      1.00000
     50     -10.8732      1.00000
     51     -10.8364      1.00000
     52     -10.6035      1.00000
     53     -10.0933      1.00000
     54     -10.0884      1.00000
     55     -10.0466      1.00000
     56      -9.9712      1.00000
     57      -9.6538      1.00000
     58      -9.6290      1.00000
     59      -9.5910      1.00000
     60      -9.5294      1.00000
     61      -9.5097      1.00000
     62      -9.4780      1.00000
     63      -9.2648      1.00000
     64      -9.2410      1.00000
     65      -9.2204      1.00000
     66      -9.1652      1.00000
     67      -9.0678      1.00000
     68      -9.0466      1.00000
     69      -9.0399      1.00000
     70      -8.8824      1.00000
     71      -8.8054      1.00000
     72      -8.5802      1.00000
     73      -8.5219      1.00000
     74      -8.4649      1.00000
     75      -8.0350      1.00000
     76      -7.8125      1.00000
     77      -7.8065      1.00000
     78      -7.7921      1.00000
     79      -7.6995      1.00000
     80      -7.6903      1.00000
     81      -7.3613      1.00000
     82      -7.2742      1.00000
     83      -7.2636      1.00000
     84      -7.2146      1.00000
     85      -7.1719      1.00000
     86      -7.0076      1.00000
     87      -6.9465      1.00000
     88      -6.7470      1.00000
     89      -6.6718      1.00000
     90      -6.5932      1.00000
     91      -6.5585      1.00000
     92      -6.0505      1.00000
     93      -6.0474      1.00000
     94      -6.0214      1.00000
     95      -5.9577      1.00000
     96      -5.7357      1.00000
     97      -5.1589      1.00000
     98      -4.9898      1.00000
     99      -4.7184      1.00000
    100      -4.6102      1.00000
    101      -4.4403      1.00000
    102      -4.3738      1.00000
    103      -4.1225      1.00000
    104      -3.8682      1.00000
    105      -3.8360      1.00000
    106      -3.7905      1.00000
    107      -1.7851      0.00000
    108      -1.7379      0.00000
    109      -1.3938      0.00000
    110      -1.3456      0.00000
    111      -1.2636      0.00000
    112      -1.2256      0.00000
    113      -0.7435      0.00000
    114      -0.3778      0.00000
    115      -0.2196      0.00000
    116      -0.0163      0.00000
    117       0.5913      0.00000
    118       0.7370      0.00000
    119       0.7641      0.00000
    120       1.0502      0.00000
    121       1.1417      0.00000
    122       1.2513      0.00000
    123       1.2733      0.00000
    124       1.4158      0.00000
    125       1.4801      0.00000
    126       1.5866      0.00000
    127       1.7577      0.00000
    128       1.8406      0.00000
    129       1.8963      0.00000
    130       1.9597      0.00000
    131       2.1082      0.00000
    132       2.2366      0.00000
    133       2.2498      0.00000
    134       2.2966      0.00000
    135       2.4879      0.00000
    136       2.6147      0.00000
    137       2.6376      0.00000
    138       2.7672      0.00000
    139       2.7986      0.00000
    140       2.8561      0.00000
    141       2.8670      0.00000
    142       2.8924      0.00000
    143       2.9598      0.00000
    144       3.0835      0.00000
    145       3.2820      0.00000
    146       3.3072      0.00000
    147       3.3737      0.00000
    148       3.4075      0.00000
    149       3.4669      0.00000
    150       3.5865      0.00000
    151       3.6364      0.00000
    152       3.6685      0.00000
    153       3.7061      0.00000
    154       3.9065      0.00000
    155       3.9427      0.00000
    156       3.9823      0.00000
    157       4.0863      0.00000
    158       4.2037      0.00000
    159       4.2422      0.00000
    160       4.2986      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2133      1.00000
      2     -22.0070      1.00000
      3     -21.6484      1.00000
      4     -21.6112      1.00000
      5     -20.9122      1.00000
      6     -20.8657      1.00000
      7     -20.5449      1.00000
      8     -20.5054      1.00000
      9     -20.4950      1.00000
     10     -19.9627      1.00000
     11     -19.4417      1.00000
     12     -19.4143      1.00000
     13     -19.2408      1.00000
     14     -19.2262      1.00000
     15     -18.3835      1.00000
     16     -18.3391      1.00000
     17     -17.8594      1.00000
     18     -17.8381      1.00000
     19     -17.6974      1.00000
     20     -17.6545      1.00000
     21     -17.3714      1.00000
     22     -17.3552      1.00000
     23     -17.2737      1.00000
     24     -16.4006      1.00000
     25     -16.3856      1.00000
     26     -15.8958      1.00000
     27     -15.3518      1.00000
     28     -15.3364      1.00000
     29     -15.0340      1.00000
     30     -15.0201      1.00000
     31     -14.7992      1.00000
     32     -14.7741      1.00000
     33     -14.2214      1.00000
     34     -14.1893      1.00000
     35     -13.3706      1.00000
     36     -13.3367      1.00000
     37     -13.1194      1.00000
     38     -13.1016      1.00000
     39     -12.9156      1.00000
     40     -12.9020      1.00000
     41     -12.5563      1.00000
     42     -12.5380      1.00000
     43     -12.1328      1.00000
     44     -11.5217      1.00000
     45     -11.4730      1.00000
     46     -11.2532      1.00000
     47     -11.2190      1.00000
     48     -11.0794      1.00000
     49     -10.6610      1.00000
     50     -10.5883      1.00000
     51     -10.5237      1.00000
     52     -10.2576      1.00000
     53     -10.2482      1.00000
     54     -10.1225      1.00000
     55     -10.0482      1.00000
     56     -10.0403      1.00000
     57      -9.7703      1.00000
     58      -9.7053      1.00000
     59      -9.6792      1.00000
     60      -9.6296      1.00000
     61      -9.6260      1.00000
     62      -9.5870      1.00000
     63      -9.2944      1.00000
     64      -9.2849      1.00000
     65      -9.2527      1.00000
     66      -9.0912      1.00000
     67      -8.8970      1.00000
     68      -8.8826      1.00000
     69      -8.7242      1.00000
     70      -8.5908      1.00000
     71      -8.5134      1.00000
     72      -8.3305      1.00000
     73      -8.3022      1.00000
     74      -8.2641      1.00000
     75      -8.2319      1.00000
     76      -8.1944      1.00000
     77      -8.1853      1.00000
     78      -8.1701      1.00000
     79      -8.1061      1.00000
     80      -7.6884      1.00000
     81      -7.3547      1.00000
     82      -7.3097      1.00000
     83      -7.2637      1.00000
     84      -7.1873      1.00000
     85      -7.1241      1.00000
     86      -7.0762      1.00000
     87      -6.9065      1.00000
     88      -6.8818      1.00000
     89      -6.5487      1.00000
     90      -6.4923      1.00000
     91      -6.2092      1.00000
     92      -6.0700      1.00000
     93      -5.9419      1.00000
     94      -5.7159      1.00000
     95      -5.6324      1.00000
     96      -5.4521      1.00000
     97      -5.3050      1.00000
     98      -5.2335      1.00000
     99      -5.1514      1.00000
    100      -5.1510      1.00000
    101      -4.5246      1.00000
    102      -4.4708      1.00000
    103      -4.1437      1.00000
    104      -3.8391      1.00000
    105      -3.7572      1.00000
    106      -3.6791      1.00000
    107      -1.8709      0.00000
    108      -1.8233      0.00000
    109      -1.2760      0.00000
    110      -1.0357      0.00000
    111      -1.0113      0.00000
    112      -0.7113      0.00000
    113      -0.6395      0.00000
    114      -0.5879      0.00000
    115      -0.5457      0.00000
    116      -0.1988      0.00000
    117       0.2529      0.00000
    118       0.2789      0.00000
    119       0.7617      0.00000
    120       0.9467      0.00000
    121       1.1330      0.00000
    122       1.2268      0.00000
    123       1.3214      0.00000
    124       1.4139      0.00000
    125       1.6014      0.00000
    126       1.6340      0.00000
    127       1.7017      0.00000
    128       1.8249      0.00000
    129       1.9204      0.00000
    130       2.0128      0.00000
    131       2.1077      0.00000
    132       2.3299      0.00000
    133       2.3962      0.00000
    134       2.4339      0.00000
    135       2.5422      0.00000
    136       2.6343      0.00000
    137       2.7554      0.00000
    138       2.8214      0.00000
    139       2.8336      0.00000
    140       2.8875      0.00000
    141       3.0410      0.00000
    142       3.0904      0.00000
    143       3.1874      0.00000
    144       3.2400      0.00000
    145       3.3883      0.00000
    146       3.4227      0.00000
    147       3.4814      0.00000
    148       3.5734      0.00000
    149       3.6004      0.00000
    150       3.6276      0.00000
    151       3.6518      0.00000
    152       3.7431      0.00000
    153       3.7721      0.00000
    154       3.7883      0.00000
    155       3.8066      0.00000
    156       3.8978      0.00000
    157       3.9776      0.00000
    158       4.0113      0.00000
    159       4.1768      0.00000
    160       4.2388      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2471      1.00000
      2     -21.8928      1.00000
      3     -21.8221      1.00000
      4     -21.3108      1.00000
      5     -21.2805      1.00000
      6     -20.7697      1.00000
      7     -20.7036      1.00000
      8     -20.5553      1.00000
      9     -20.0078      1.00000
     10     -20.0005      1.00000
     11     -19.6470      1.00000
     12     -19.6226      1.00000
     13     -18.9285      1.00000
     14     -18.9201      1.00000
     15     -18.5695      1.00000
     16     -18.5557      1.00000
     17     -18.3931      1.00000
     18     -17.6145      1.00000
     19     -17.5579      1.00000
     20     -17.5527      1.00000
     21     -17.5111      1.00000
     22     -17.0549      1.00000
     23     -17.0373      1.00000
     24     -16.8904      1.00000
     25     -15.9288      1.00000
     26     -15.8664      1.00000
     27     -15.5157      1.00000
     28     -15.5146      1.00000
     29     -15.2277      1.00000
     30     -14.7937      1.00000
     31     -14.7664      1.00000
     32     -14.5148      1.00000
     33     -14.4703      1.00000
     34     -14.1009      1.00000
     35     -14.0896      1.00000
     36     -13.0756      1.00000
     37     -13.0324      1.00000
     38     -12.9661      1.00000
     39     -12.9540      1.00000
     40     -12.6447      1.00000
     41     -12.6381      1.00000
     42     -12.2733      1.00000
     43     -12.2417      1.00000
     44     -11.5873      1.00000
     45     -11.5597      1.00000
     46     -11.5054      1.00000
     47     -10.9047      1.00000
     48     -10.8500      1.00000
     49     -10.6232      1.00000
     50     -10.5587      1.00000
     51     -10.4840      1.00000
     52     -10.4327      1.00000
     53     -10.4226      1.00000
     54     -10.3705      1.00000
     55     -10.2933      1.00000
     56     -10.0656      1.00000
     57      -9.8323      1.00000
     58      -9.5483      1.00000
     59      -9.4876      1.00000
     60      -9.4731      1.00000
     61      -9.3454      1.00000
     62      -9.3300      1.00000
     63      -9.3098      1.00000
     64      -9.3076      1.00000
     65      -9.2136      1.00000
     66      -9.1114      1.00000
     67      -9.0799      1.00000
     68      -9.0486      1.00000
     69      -8.8502      1.00000
     70      -8.7920      1.00000
     71      -8.7734      1.00000
     72      -8.5263      1.00000
     73      -8.4763      1.00000
     74      -8.2254      1.00000
     75      -8.1100      1.00000
     76      -8.0985      1.00000
     77      -7.8080      1.00000
     78      -7.7835      1.00000
     79      -7.7811      1.00000
     80      -7.6739      1.00000
     81      -7.6312      1.00000
     82      -7.6300      1.00000
     83      -7.3990      1.00000
     84      -7.3241      1.00000
     85      -7.1966      1.00000
     86      -6.8389      1.00000
     87      -6.8287      1.00000
     88      -6.6627      1.00000
     89      -6.5378      1.00000
     90      -6.3444      1.00000
     91      -6.3073      1.00000
     92      -6.1834      1.00000
     93      -6.1469      1.00000
     94      -5.9767      1.00000
     95      -5.5716      1.00000
     96      -5.4255      1.00000
     97      -5.2580      1.00000
     98      -5.2530      1.00000
     99      -5.1485      1.00000
    100      -4.6954      1.00000
    101      -4.6644      1.00000
    102      -4.3491      1.00000
    103      -4.3171      1.00000
    104      -3.9650      1.00000
    105      -3.8327      1.00000
    106      -3.3888      1.00000
    107      -2.2199      0.00000
    108      -1.3766      0.00000
    109      -1.2856      0.00000
    110      -1.1725      0.00000
    111      -1.0770      0.00000
    112      -0.8934      0.00000
    113      -0.7675      0.00000
    114      -0.7569      0.00000
    115      -0.2140      0.00000
    116       0.1139      0.00000
    117       0.2642      0.00000
    118       0.3461      0.00000
    119       0.7352      0.00000
    120       0.9038      0.00000
    121       0.9723      0.00000
    122       1.0956      0.00000
    123       1.2104      0.00000
    124       1.5305      0.00000
    125       1.5640      0.00000
    126       1.7164      0.00000
    127       1.8390      0.00000
    128       1.8627      0.00000
    129       1.9703      0.00000
    130       1.9999      0.00000
    131       2.1597      0.00000
    132       2.2689      0.00000
    133       2.4559      0.00000
    134       2.4684      0.00000
    135       2.5072      0.00000
    136       2.6664      0.00000
    137       2.6869      0.00000
    138       2.7335      0.00000
    139       2.7434      0.00000
    140       2.8937      0.00000
    141       3.0230      0.00000
    142       3.0822      0.00000
    143       3.1944      0.00000
    144       3.2549      0.00000
    145       3.2582      0.00000
    146       3.2693      0.00000
    147       3.3593      0.00000
    148       3.4839      0.00000
    149       3.5301      0.00000
    150       3.6984      0.00000
    151       3.7584      0.00000
    152       3.7703      0.00000
    153       3.8351      0.00000
    154       3.8804      0.00000
    155       3.9434      0.00000
    156       3.9834      0.00000
    157       4.0224      0.00000
    158       4.0493      0.00000
    159       4.0558      0.00000
    160       4.1235      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1412      1.00000
      2     -22.0458      1.00000
      3     -21.8857      1.00000
      4     -21.3338      1.00000
      5     -20.9810      1.00000
      6     -20.9423      1.00000
      7     -20.4326      1.00000
      8     -20.3898      1.00000
      9     -20.2257      1.00000
     10     -20.2042      1.00000
     11     -19.8883      1.00000
     12     -19.8205      1.00000
     13     -18.8141      1.00000
     14     -18.7428      1.00000
     15     -18.2894      1.00000
     16     -18.2357      1.00000
     17     -18.0851      1.00000
     18     -18.0649      1.00000
     19     -17.7609      1.00000
     20     -17.7184      1.00000
     21     -17.1882      1.00000
     22     -17.1691      1.00000
     23     -17.0990      1.00000
     24     -17.0630      1.00000
     25     -16.0372      1.00000
     26     -15.8221      1.00000
     27     -15.7989      1.00000
     28     -15.7639      1.00000
     29     -15.1732      1.00000
     30     -14.4905      1.00000
     31     -14.4576      1.00000
     32     -14.2173      1.00000
     33     -13.8946      1.00000
     34     -13.8896      1.00000
     35     -13.7555      1.00000
     36     -13.7353      1.00000
     37     -13.5511      1.00000
     38     -13.5023      1.00000
     39     -13.2991      1.00000
     40     -12.5636      1.00000
     41     -12.1250      1.00000
     42     -12.0653      1.00000
     43     -12.0094      1.00000
     44     -11.9506      1.00000
     45     -11.6108      1.00000
     46     -11.5876      1.00000
     47     -11.0852      1.00000
     48     -11.0513      1.00000
     49     -10.7535      1.00000
     50     -10.6631      1.00000
     51     -10.5278      1.00000
     52     -10.1486      1.00000
     53     -10.1377      1.00000
     54     -10.0953      1.00000
     55      -9.9525      1.00000
     56      -9.9474      1.00000
     57      -9.9165      1.00000
     58      -9.7372      1.00000
     59      -9.7310      1.00000
     60      -9.7001      1.00000
     61      -9.6904      1.00000
     62      -9.4307      1.00000
     63      -9.3626      1.00000
     64      -9.0879      1.00000
     65      -9.0066      1.00000
     66      -8.9739      1.00000
     67      -8.8873      1.00000
     68      -8.8104      1.00000
     69      -8.6583      1.00000
     70      -8.6348      1.00000
     71      -8.5806      1.00000
     72      -8.4776      1.00000
     73      -8.4672      1.00000
     74      -8.3977      1.00000
     75      -8.3937      1.00000
     76      -8.1831      1.00000
     77      -8.1156      1.00000
     78      -7.9763      1.00000
     79      -7.9168      1.00000
     80      -7.8465      1.00000
     81      -7.6186      1.00000
     82      -7.5297      1.00000
     83      -7.4683      1.00000
     84      -7.2522      1.00000
     85      -6.9344      1.00000
     86      -6.8574      1.00000
     87      -6.8107      1.00000
     88      -6.5754      1.00000
     89      -6.4666      1.00000
     90      -6.4197      1.00000
     91      -6.3558      1.00000
     92      -6.0524      1.00000
     93      -5.8778      1.00000
     94      -5.7526      1.00000
     95      -5.7210      1.00000
     96      -5.4773      1.00000
     97      -5.3459      1.00000
     98      -5.1797      1.00000
     99      -5.1555      1.00000
    100      -5.1540      1.00000
    101      -4.7078      1.00000
    102      -4.4411      1.00000
    103      -4.2571      1.00000
    104      -3.9967      1.00000
    105      -3.8316      1.00000
    106      -3.1554      1.00000
    107      -2.4626      0.00000
    108      -1.3779      0.00000
    109      -1.2410      0.00000
    110      -1.1456      0.00000
    111      -1.1140      0.00000
    112      -0.5619      0.00000
    113      -0.4343      0.00000
    114      -0.4288      0.00000
    115      -0.3097      0.00000
    116      -0.1890      0.00000
    117       0.0622      0.00000
    118       0.1184      0.00000
    119       0.5407      0.00000
    120       0.6846      0.00000
    121       0.8725      0.00000
    122       0.9695      0.00000
    123       1.1125      0.00000
    124       1.4968      0.00000
    125       1.6635      0.00000
    126       1.8039      0.00000
    127       1.8773      0.00000
    128       2.0935      0.00000
    129       2.1386      0.00000
    130       2.1979      0.00000
    131       2.2147      0.00000
    132       2.3404      0.00000
    133       2.3619      0.00000
    134       2.4889      0.00000
    135       2.5814      0.00000
    136       2.6689      0.00000
    137       2.8794      0.00000
    138       2.9381      0.00000
    139       2.9667      0.00000
    140       2.9903      0.00000
    141       3.0410      0.00000
    142       3.1511      0.00000
    143       3.1810      0.00000
    144       3.2448      0.00000
    145       3.2913      0.00000
    146       3.3330      0.00000
    147       3.3503      0.00000
    148       3.3803      0.00000
    149       3.4140      0.00000
    150       3.4970      0.00000
    151       3.5545      0.00000
    152       3.6338      0.00000
    153       3.6946      0.00000
    154       3.7101      0.00000
    155       3.7262      0.00000
    156       3.9210      0.00000
    157       3.9346      0.00000
    158       4.0594      0.00000
    159       4.0902      0.00000
    160       4.2024      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2469      1.00000
      2     -21.8943      1.00000
      3     -21.8206      1.00000
      4     -21.3155      1.00000
      5     -21.2765      1.00000
      6     -20.7707      1.00000
      7     -20.7016      1.00000
      8     -20.5536      1.00000
      9     -20.0221      1.00000
     10     -19.9895      1.00000
     11     -19.6495      1.00000
     12     -19.6183      1.00000
     13     -18.9427      1.00000
     14     -18.9077      1.00000
     15     -18.5833      1.00000
     16     -18.5457      1.00000
     17     -18.3912      1.00000
     18     -17.6014      1.00000
     19     -17.5698      1.00000
     20     -17.5403      1.00000
     21     -17.5075      1.00000
     22     -17.0739      1.00000
     23     -17.0267      1.00000
     24     -16.8993      1.00000
     25     -15.9449      1.00000
     26     -15.8504      1.00000
     27     -15.5325      1.00000
     28     -15.5057      1.00000
     29     -15.2086      1.00000
     30     -14.8132      1.00000
     31     -14.7605      1.00000
     32     -14.5089      1.00000
     33     -14.4670      1.00000
     34     -14.0956      1.00000
     35     -14.0925      1.00000
     36     -13.1044      1.00000
     37     -13.0288      1.00000
     38     -12.9558      1.00000
     39     -12.9488      1.00000
     40     -12.6553      1.00000
     41     -12.6265      1.00000
     42     -12.2734      1.00000
     43     -12.2464      1.00000
     44     -11.5728      1.00000
     45     -11.5530      1.00000
     46     -11.4999      1.00000
     47     -10.8778      1.00000
     48     -10.8689      1.00000
     49     -10.6846      1.00000
     50     -10.5244      1.00000
     51     -10.5198      1.00000
     52     -10.4330      1.00000
     53     -10.4150      1.00000
     54     -10.3692      1.00000
     55     -10.2870      1.00000
     56     -10.0609      1.00000
     57      -9.8311      1.00000
     58      -9.5591      1.00000
     59      -9.4836      1.00000
     60      -9.4457      1.00000
     61      -9.3555      1.00000
     62      -9.3382      1.00000
     63      -9.3069      1.00000
     64      -9.3014      1.00000
     65      -9.2055      1.00000
     66      -9.0989      1.00000
     67      -9.0677      1.00000
     68      -9.0486      1.00000
     69      -8.8537      1.00000
     70      -8.7965      1.00000
     71      -8.7776      1.00000
     72      -8.5264      1.00000
     73      -8.4980      1.00000
     74      -8.2304      1.00000
     75      -8.1293      1.00000
     76      -8.0924      1.00000
     77      -7.8062      1.00000
     78      -7.7667      1.00000
     79      -7.7383      1.00000
     80      -7.7045      1.00000
     81      -7.6349      1.00000
     82      -7.6240      1.00000
     83      -7.3868      1.00000
     84      -7.3434      1.00000
     85      -7.2164      1.00000
     86      -6.8430      1.00000
     87      -6.8199      1.00000
     88      -6.6404      1.00000
     89      -6.5286      1.00000
     90      -6.3407      1.00000
     91      -6.2725      1.00000
     92      -6.1951      1.00000
     93      -6.1312      1.00000
     94      -6.0212      1.00000
     95      -5.6385      1.00000
     96      -5.5080      1.00000
     97      -5.2972      1.00000
     98      -5.1554      1.00000
     99      -5.0397      1.00000
    100      -4.7270      1.00000
    101      -4.6849      1.00000
    102      -4.3678      1.00000
    103      -4.1867      1.00000
    104      -4.0098      1.00000
    105      -3.8310      1.00000
    106      -3.4835      1.00000
    107      -2.1637      0.00000
    108      -1.3825      0.00000
    109      -1.2354      0.00000
    110      -1.1841      0.00000
    111      -1.0134      0.00000
    112      -0.9554      0.00000
    113      -0.7970      0.00000
    114      -0.7515      0.00000
    115      -0.3623      0.00000
    116       0.2452      0.00000
    117       0.2770      0.00000
    118       0.3657      0.00000
    119       0.7015      0.00000
    120       0.8694      0.00000
    121       0.9660      0.00000
    122       1.1280      0.00000
    123       1.2372      0.00000
    124       1.4570      0.00000
    125       1.5566      0.00000
    126       1.7828      0.00000
    127       1.8516      0.00000
    128       1.8836      0.00000
    129       1.9872      0.00000
    130       2.0324      0.00000
    131       2.1978      0.00000
    132       2.2125      0.00000
    133       2.4037      0.00000
    134       2.4528      0.00000
    135       2.5540      0.00000
    136       2.6584      0.00000
    137       2.6851      0.00000
    138       2.7295      0.00000
    139       2.7676      0.00000
    140       2.8561      0.00000
    141       2.9669      0.00000
    142       3.0813      0.00000
    143       3.1895      0.00000
    144       3.2412      0.00000
    145       3.2572      0.00000
    146       3.2948      0.00000
    147       3.3310      0.00000
    148       3.4835      0.00000
    149       3.5103      0.00000
    150       3.7144      0.00000
    151       3.7244      0.00000
    152       3.7703      0.00000
    153       3.8625      0.00000
    154       3.8749      0.00000
    155       3.8985      0.00000
    156       3.9974      0.00000
    157       3.9989      0.00000
    158       4.0510      0.00000
    159       4.0646      0.00000
    160       4.0976      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3189      1.00000
      2     -21.7608      1.00000
      3     -21.5670      1.00000
      4     -21.5397      1.00000
      5     -21.2042      1.00000
      6     -21.1652      1.00000
      7     -20.9848      1.00000
      8     -20.0979      1.00000
      9     -20.0589      1.00000
     10     -19.5456      1.00000
     11     -19.5254      1.00000
     12     -19.3439      1.00000
     13     -19.0274      1.00000
     14     -18.9873      1.00000
     15     -18.9767      1.00000
     16     -18.9710      1.00000
     17     -18.2952      1.00000
     18     -18.2817      1.00000
     19     -17.9454      1.00000
     20     -17.0000      1.00000
     21     -16.9588      1.00000
     22     -16.8819      1.00000
     23     -16.8690      1.00000
     24     -16.4156      1.00000
     25     -16.3926      1.00000
     26     -15.5403      1.00000
     27     -15.5368      1.00000
     28     -15.1722      1.00000
     29     -15.1706      1.00000
     30     -15.1303      1.00000
     31     -15.0355      1.00000
     32     -15.0001      1.00000
     33     -14.6329      1.00000
     34     -14.6258      1.00000
     35     -13.6624      1.00000
     36     -13.6522      1.00000
     37     -13.1702      1.00000
     38     -12.5728      1.00000
     39     -12.5125      1.00000
     40     -12.3848      1.00000
     41     -12.3843      1.00000
     42     -12.0350      1.00000
     43     -12.0306      1.00000
     44     -11.6547      1.00000
     45     -11.6142      1.00000
     46     -11.2068      1.00000
     47     -11.1566      1.00000
     48     -10.9547      1.00000
     49     -10.9414      1.00000
     50     -10.8601      1.00000
     51     -10.8275      1.00000
     52     -10.6266      1.00000
     53     -10.1474      1.00000
     54     -10.0835      1.00000
     55     -10.0243      1.00000
     56      -9.9459      1.00000
     57      -9.6309      1.00000
     58      -9.6289      1.00000
     59      -9.6024      1.00000
     60      -9.5407      1.00000
     61      -9.5026      1.00000
     62      -9.4779      1.00000
     63      -9.2732      1.00000
     64      -9.2346      1.00000
     65      -9.2066      1.00000
     66      -9.1794      1.00000
     67      -9.0615      1.00000
     68      -9.0462      1.00000
     69      -9.0425      1.00000
     70      -8.8765      1.00000
     71      -8.8085      1.00000
     72      -8.5397      1.00000
     73      -8.5328      1.00000
     74      -8.5048      1.00000
     75      -8.0303      1.00000
     76      -7.8318      1.00000
     77      -7.8020      1.00000
     78      -7.7734      1.00000
     79      -7.7025      1.00000
     80      -7.6837      1.00000
     81      -7.4107      1.00000
     82      -7.2874      1.00000
     83      -7.2509      1.00000
     84      -7.2025      1.00000
     85      -7.0821      1.00000
     86      -7.0729      1.00000
     87      -6.9376      1.00000
     88      -6.7118      1.00000
     89      -6.6739      1.00000
     90      -6.6283      1.00000
     91      -6.5563      1.00000
     92      -6.0713      1.00000
     93      -6.0309      1.00000
     94      -6.0015      1.00000
     95      -5.9362      1.00000
     96      -5.8008      1.00000
     97      -5.1831      1.00000
     98      -4.8957      1.00000
     99      -4.7935      1.00000
    100      -4.6102      1.00000
    101      -4.5119      1.00000
    102      -4.1402      1.00000
    103      -4.0926      1.00000
    104      -3.9308      1.00000
    105      -3.9164      1.00000
    106      -3.8301      1.00000
    107      -1.7512      0.00000
    108      -1.6952      0.00000
    109      -1.4096      0.00000
    110      -1.3709      0.00000
    111      -1.2639      0.00000
    112      -1.2353      0.00000
    113      -0.6209      0.00000
    114      -0.5978      0.00000
    115      -0.1902      0.00000
    116       0.0447      0.00000
    117       0.5848      0.00000
    118       0.7405      0.00000
    119       0.8508      0.00000
    120       0.9291      0.00000
    121       1.1680      0.00000
    122       1.2118      0.00000
    123       1.2479      0.00000
    124       1.4207      0.00000
    125       1.6001      0.00000
    126       1.6397      0.00000
    127       1.7054      0.00000
    128       1.8058      0.00000
    129       1.9231      0.00000
    130       1.9403      0.00000
    131       2.1505      0.00000
    132       2.1736      0.00000
    133       2.2616      0.00000
    134       2.3014      0.00000
    135       2.5430      0.00000
    136       2.5601      0.00000
    137       2.6351      0.00000
    138       2.7608      0.00000
    139       2.8094      0.00000
    140       2.8463      0.00000
    141       2.8939      0.00000
    142       2.9439      0.00000
    143       3.0164      0.00000
    144       3.0285      0.00000
    145       3.0881      0.00000
    146       3.3138      0.00000
    147       3.3695      0.00000
    148       3.4174      0.00000
    149       3.4789      0.00000
    150       3.6018      0.00000
    151       3.6558      0.00000
    152       3.6644      0.00000
    153       3.6787      0.00000
    154       3.8925      0.00000
    155       3.9800      0.00000
    156       4.0277      0.00000
    157       4.0740      0.00000
    158       4.2346      0.00000
    159       4.2560      0.00000
    160       4.2698      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1403      1.00000
      2     -22.0473      1.00000
      3     -21.8852      1.00000
      4     -21.3347      1.00000
      5     -20.9759      1.00000
      6     -20.9465      1.00000
      7     -20.4273      1.00000
      8     -20.3953      1.00000
      9     -20.2151      1.00000
     10     -20.2134      1.00000
     11     -19.8872      1.00000
     12     -19.8232      1.00000
     13     -18.8172      1.00000
     14     -18.7461      1.00000
     15     -18.2650      1.00000
     16     -18.2511      1.00000
     17     -18.0795      1.00000
     18     -18.0730      1.00000
     19     -17.7451      1.00000
     20     -17.7294      1.00000
     21     -17.1944      1.00000
     22     -17.1709      1.00000
     23     -17.0880      1.00000
     24     -17.0673      1.00000
     25     -16.0531      1.00000
     26     -15.8078      1.00000
     27     -15.7983      1.00000
     28     -15.7772      1.00000
     29     -15.1586      1.00000
     30     -14.4852      1.00000
     31     -14.4637      1.00000
     32     -14.2036      1.00000
     33     -13.9161      1.00000
     34     -13.8858      1.00000
     35     -13.7586      1.00000
     36     -13.7380      1.00000
     37     -13.5358      1.00000
     38     -13.5098      1.00000
     39     -13.3006      1.00000
     40     -12.5760      1.00000
     41     -12.1009      1.00000
     42     -12.0767      1.00000
     43     -11.9982      1.00000
     44     -11.9502      1.00000
     45     -11.6053      1.00000
     46     -11.5972      1.00000
     47     -11.0847      1.00000
     48     -11.0609      1.00000
     49     -10.7325      1.00000
     50     -10.6640      1.00000
     51     -10.5618      1.00000
     52     -10.1391      1.00000
     53     -10.1344      1.00000
     54     -10.1000      1.00000
     55      -9.9657      1.00000
     56      -9.9246      1.00000
     57      -9.9206      1.00000
     58      -9.7507      1.00000
     59      -9.7284      1.00000
     60      -9.6969      1.00000
     61      -9.6945      1.00000
     62      -9.4022      1.00000
     63      -9.3892      1.00000
     64      -9.0705      1.00000
     65      -8.9816      1.00000
     66      -8.9808      1.00000
     67      -8.9061      1.00000
     68      -8.8112      1.00000
     69      -8.6497      1.00000
     70      -8.6332      1.00000
     71      -8.5512      1.00000
     72      -8.5021      1.00000
     73      -8.4824      1.00000
     74      -8.3940      1.00000
     75      -8.3817      1.00000
     76      -8.2096      1.00000
     77      -8.1030      1.00000
     78      -8.0067      1.00000
     79      -7.9021      1.00000
     80      -7.8439      1.00000
     81      -7.6216      1.00000
     82      -7.5328      1.00000
     83      -7.4563      1.00000
     84      -7.2494      1.00000
     85      -6.9423      1.00000
     86      -6.8685      1.00000
     87      -6.8088      1.00000
     88      -6.4774      1.00000
     89      -6.4689      1.00000
     90      -6.4087      1.00000
     91      -6.3593      1.00000
     92      -6.1935      1.00000
     93      -5.8575      1.00000
     94      -5.7369      1.00000
     95      -5.7106      1.00000
     96      -5.5245      1.00000
     97      -5.3284      1.00000
     98      -5.1717      1.00000
     99      -5.1669      1.00000
    100      -5.1334      1.00000
    101      -4.6956      1.00000
    102      -4.3482      1.00000
    103      -4.2830      1.00000
    104      -4.0301      1.00000
    105      -3.8325      1.00000
    106      -3.2327      1.00000
    107      -2.4043      0.00000
    108      -1.3443      0.00000
    109      -1.2433      0.00000
    110      -1.1527      0.00000
    111      -1.1081      0.00000
    112      -0.5808      0.00000
    113      -0.5216      0.00000
    114      -0.4334      0.00000
    115      -0.2748      0.00000
    116      -0.0681      0.00000
    117      -0.0098      0.00000
    118       0.0603      0.00000
    119       0.5831      0.00000
    120       0.7112      0.00000
    121       0.8110      0.00000
    122       0.9456      0.00000
    123       1.1847      0.00000
    124       1.5106      0.00000
    125       1.6220      0.00000
    126       1.8599      0.00000
    127       2.0054      0.00000
    128       2.0517      0.00000
    129       2.1136      0.00000
    130       2.1521      0.00000
    131       2.2633      0.00000
    132       2.2864      0.00000
    133       2.3484      0.00000
    134       2.4630      0.00000
    135       2.6102      0.00000
    136       2.7015      0.00000
    137       2.8199      0.00000
    138       2.9153      0.00000
    139       2.9429      0.00000
    140       3.0132      0.00000
    141       3.0482      0.00000
    142       3.1576      0.00000
    143       3.1627      0.00000
    144       3.2235      0.00000
    145       3.2996      0.00000
    146       3.3116      0.00000
    147       3.3535      0.00000
    148       3.3739      0.00000
    149       3.4171      0.00000
    150       3.4502      0.00000
    151       3.5635      0.00000
    152       3.6135      0.00000
    153       3.7017      0.00000
    154       3.7264      0.00000
    155       3.8484      0.00000
    156       3.9039      0.00000
    157       3.9325      0.00000
    158       3.9610      0.00000
    159       4.1475      0.00000
    160       4.1820      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2129      1.00000
      2     -22.0076      1.00000
      3     -21.6457      1.00000
      4     -21.6143      1.00000
      5     -20.9093      1.00000
      6     -20.8684      1.00000
      7     -20.5387      1.00000
      8     -20.5059      1.00000
      9     -20.4991      1.00000
     10     -19.9617      1.00000
     11     -19.4404      1.00000
     12     -19.4184      1.00000
     13     -19.2394      1.00000
     14     -19.2322      1.00000
     15     -18.3756      1.00000
     16     -18.3403      1.00000
     17     -17.8584      1.00000
     18     -17.8422      1.00000
     19     -17.6908      1.00000
     20     -17.6547      1.00000
     21     -17.3718      1.00000
     22     -17.3574      1.00000
     23     -17.2666      1.00000
     24     -16.4133      1.00000
     25     -16.3894      1.00000
     26     -15.9040      1.00000
     27     -15.3432      1.00000
     28     -15.3381      1.00000
     29     -15.0308      1.00000
     30     -15.0208      1.00000
     31     -14.7759      1.00000
     32     -14.7736      1.00000
     33     -14.2372      1.00000
     34     -14.1862      1.00000
     35     -13.3874      1.00000
     36     -13.3327      1.00000
     37     -13.1110      1.00000
     38     -13.1025      1.00000
     39     -12.9173      1.00000
     40     -12.9115      1.00000
     41     -12.5452      1.00000
     42     -12.5372      1.00000
     43     -12.1329      1.00000
     44     -11.5138      1.00000
     45     -11.4690      1.00000
     46     -11.2445      1.00000
     47     -11.2127      1.00000
     48     -11.0862      1.00000
     49     -10.7089      1.00000
     50     -10.5953      1.00000
     51     -10.5092      1.00000
     52     -10.2509      1.00000
     53     -10.2467      1.00000
     54     -10.1213      1.00000
     55     -10.0540      1.00000
     56     -10.0385      1.00000
     57      -9.7858      1.00000
     58      -9.6863      1.00000
     59      -9.6727      1.00000
     60      -9.6371      1.00000
     61      -9.6273      1.00000
     62      -9.5849      1.00000
     63      -9.2956      1.00000
     64      -9.2828      1.00000
     65      -9.2530      1.00000
     66      -9.0683      1.00000
     67      -8.8944      1.00000
     68      -8.8832      1.00000
     69      -8.7179      1.00000
     70      -8.5839      1.00000
     71      -8.5261      1.00000
     72      -8.3508      1.00000
     73      -8.3045      1.00000
     74      -8.2430      1.00000
     75      -8.2374      1.00000
     76      -8.1944      1.00000
     77      -8.1810      1.00000
     78      -8.1693      1.00000
     79      -8.1126      1.00000
     80      -7.6901      1.00000
     81      -7.4155      1.00000
     82      -7.3436      1.00000
     83      -7.2571      1.00000
     84      -7.1680      1.00000
     85      -7.1100      1.00000
     86      -7.0027      1.00000
     87      -6.9035      1.00000
     88      -6.8463      1.00000
     89      -6.5418      1.00000
     90      -6.4979      1.00000
     91      -6.2155      1.00000
     92      -6.2015      1.00000
     93      -5.8939      1.00000
     94      -5.6734      1.00000
     95      -5.6089      1.00000
     96      -5.5798      1.00000
     97      -5.2527      1.00000
     98      -5.2307      1.00000
     99      -5.1643      1.00000
    100      -5.1339      1.00000
    101      -4.5997      1.00000
    102      -4.2528      1.00000
    103      -4.0465      1.00000
    104      -3.8839      1.00000
    105      -3.8441      1.00000
    106      -3.8012      1.00000
    107      -1.8073      0.00000
    108      -1.7797      0.00000
    109      -1.2239      0.00000
    110      -1.1752      0.00000
    111      -0.9735      0.00000
    112      -0.7335      0.00000
    113      -0.6501      0.00000
    114      -0.5935      0.00000
    115      -0.5491      0.00000
    116      -0.1483      0.00000
    117       0.1765      0.00000
    118       0.2886      0.00000
    119       0.7064      0.00000
    120       0.9505      0.00000
    121       1.1683      0.00000
    122       1.2786      0.00000
    123       1.3482      0.00000
    124       1.5129      0.00000
    125       1.6087      0.00000
    126       1.6279      0.00000
    127       1.6924      0.00000
    128       1.7749      0.00000
    129       1.8620      0.00000
    130       2.0789      0.00000
    131       2.1673      0.00000
    132       2.3187      0.00000
    133       2.3942      0.00000
    134       2.4238      0.00000
    135       2.5572      0.00000
    136       2.6250      0.00000
    137       2.6865      0.00000
    138       2.7464      0.00000
    139       2.8163      0.00000
    140       2.9084      0.00000
    141       3.0511      0.00000
    142       3.0619      0.00000
    143       3.1836      0.00000
    144       3.2814      0.00000
    145       3.3792      0.00000
    146       3.4144      0.00000
    147       3.4607      0.00000
    148       3.5445      0.00000
    149       3.5727      0.00000
    150       3.6342      0.00000
    151       3.6639      0.00000
    152       3.7015      0.00000
    153       3.7871      0.00000
    154       3.7987      0.00000
    155       3.8253      0.00000
    156       3.8940      0.00000
    157       3.9083      0.00000
    158       3.9811      0.00000
    159       4.1891      0.00000
    160       4.2345      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0400   -7.2576    3.9852   -1.1337   -0.1859   17.3778    0.4875   -0.8140    0.7720   -0.4785
x    -3.1240   -0.0256   -0.0216   -0.0249    0.0901   -3.0534    0.0301   -0.0244    0.0085    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   204.0400    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    0.0618    0.0186
y     0.0233   -3.2427   -0.1782    0.1695   -2.4149   -0.6649
z   204.0400    1.7471    0.2950    0.0872    0.0010    0.0707   -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    0.0987    0.0006   -0.0010   -0.0001   -0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0012   -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  -16.5931
z     0.1408    0.2359   -0.0281    0.0577   -0.0952    0.0006
 total charge-density along one line
x   212.0000  -10.0888    5.9320   -1.9427   -0.4215   19.2972   -0.6619    0.2081    0.0674   -0.1083
x    -2.7038   -0.0094    0.0006   -0.0435    0.0955   -2.3445    0.0476   -0.0345    0.0119    0.0025
x    -0.0856   -0.0053    0.0082   -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  -10.0888    5.9320   -1.9427   -0.4215   19.2972   -0.6619    0.2081    0.0674   -0.1083
y    -2.7038   -0.0094    0.0006   -0.0435    0.0955   -2.3445    0.0476   -0.0345    0.0119    0.0025
y    -0.0856   -0.0053    0.0082   -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 -205.3399  188.9524 -170.2181  154.0230 -140.2238  126.2652 -110.7989   94.5724  -78.9532
z    64.6280  -51.7188   40.4783  -31.3880   24.6216  -19.6845   15.7187  -12.1261    8.8617   -6.1892
z     4.2558   -2.9246    1.9364   -1.1387    0.5325   -0.1482   -0.0646    0.2139   -0.3662    0.4998
z    -0.5562    0.5196   -0.4366    0.3675   -0.3341    0.3152   -0.2838    0.2366   -0.1899    0.1566
z    -0.1346    0.1145   -0.0922    0.0716   -0.0576    0.0499   -0.0441    0.0370   -0.0296    0.0239
z    -0.0207    0.0185   -0.0159    0.0129   -0.0103    0.0084   -0.0068    0.0053   -0.0039    0.0028
z    -0.0020    0.0012   -0.0004   -0.0002    0.0004   -0.0004    0.0004   -0.0006    0.0007   -0.0007
z     0.0004   -0.0002    0.0001    0.0000    0.0000    0.0001   -0.0002    0.0003   -0.0003    0.0003
z    -0.0003    0.0002   -0.0002    0.0001   -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0000   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.941   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  -0.020   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
-10.941   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  -0.020   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   0.021   0.000   0.057   0.000  -0.014  -0.025   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   0.258   0.000   0.000   0.000   0.160   0.000   0.106  -0.035
 -0.026   0.000   1.788   0.000   0.018   0.043   0.000   0.357   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   0.258   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   0.190  -0.052   0.000   0.115   0.000   0.000
  0.000   0.594   0.000   0.258   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   0.357   0.000  -0.035   0.101   0.000   0.569   0.000  -0.057   0.705  -0.295   0.000   0.088   0.000   0.000
  0.000   0.258   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   0.003  -0.024   0.000  -0.057   0.000   0.036  -0.108   0.030   0.000  -0.068   0.000   0.000
 -0.025   0.000  -0.233   0.000   0.010   0.190   0.000   0.705   0.000  -0.108   1.351  -0.433   0.000   0.265   0.000   0.000
  0.025   0.000  -0.044   0.000  -0.015  -0.052   0.000  -0.295   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   0.011  -0.004
 -0.001   0.000   0.096   0.000   0.003   0.115   0.000   0.088   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   0.011   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  -0.036   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  -0.040   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   2.646
  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   2.646
 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   1.773   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   2.645
 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   1.773   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   2.646
 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       44.831  89.434   8.027 142.291
 


 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  114.82: CPU time   58.03
    FORLOC:  VPU time    1.26: CPU time    1.26
    FORNL :  VPU time  457.10: CPU time  229.58
    STRESS:  VPU time 1335.06: CPU time  672.05
    FORCOR:  VPU time    8.67: CPU time    8.68
    FORHAR:  VPU time    2.13: CPU time    2.13
    MIXING:  VPU time    0.14: CPU time    0.14
 d Force = 0.2784223E-05[ 0.187E-05, 0.370E-05]  d Energy = 0.4512547E-05-0.173E-05
 d Force = 0.4388100E-01[ 0.439E-01, 0.439E-01]  d Ewald  =-0.5155991E-01 0.954E-01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.644916 eV

  energy  without entropy=     -471.644916  energy(sigma->0) =     -471.644916
 

  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    40725.38  40741.20 -47424.35     13.70      0.00      0.00
  Hartree  40191.91  40195.01 -39444.51      2.68      0.00      0.00
  E(xc)     -779.74   -779.55   -807.26      0.17      0.00      0.00
  Local   -83210.57 -83223.39  84186.38    -11.10      0.00      0.00
  n-local   -215.77   -215.64   -203.80     -0.15      0.00      0.00
  augment     22.10     20.54     17.34     -1.35      0.00      0.00
  Kinetic   3168.74   3171.42   3582.07     -6.14      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.25     -0.26     -0.19     -0.01      0.00      0.00
  in kB       -0.15     -0.16     -0.12      0.00      0.00      0.00
  external pressure =       -0.14 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.347612044  0.001693627  0.000000000     0.080980908  0.046739609  0.000000000
    -6.172345941 10.694188342  0.000000000    -0.000012825  0.093501331  0.000000000
     0.000000000  0.000000000 19.976517650     0.000000000  0.000000000  0.050058775

  length of vectors
    12.347612160 12.347611863 19.976517650     0.093501329  0.093501332  0.050058775


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.492E-05 -.454E-04 -.961E+03   0.436E-05 -.275E-04 0.969E+03   -.422E-21 -.846E-21 -.783E+01   -.845E-08 0.454E-08 -.350E-02
   -.175E+02 -.303E+02 -.136E+03   0.183E+02 0.318E+02 0.139E+03   -.827E+00 -.143E+01 -.258E+01   0.351E-04 0.596E-04 0.759E-04
   0.175E+02 0.303E+02 -.136E+03   -.183E+02 -.318E+02 0.139E+03   0.827E+00 0.143E+01 -.258E+01   -.351E-04 -.596E-04 0.759E-04
   -.196E+01 0.113E+01 0.178E+02   0.197E+01 -.114E+01 -.178E+02   -.847E-02 0.489E-02 -.345E-02   0.540E-03 -.315E-03 0.599E-04
   0.579E+01 0.689E+01 0.203E+02   -.579E+01 -.692E+01 -.203E+02   0.625E-02 0.328E-01 -.205E-01   0.602E-03 -.382E-03 0.773E-04
   0.112E+02 0.504E+01 0.186E+02   -.113E+02 -.505E+01 -.185E+02   0.233E-01 0.966E-02 -.545E-01   0.562E-03 -.316E-03 0.215E-05
   0.453E+01 -.102E+01 0.163E+02   -.455E+01 0.104E+01 -.163E+02   0.194E-01 -.167E-01 -.197E-02   0.525E-03 -.309E-03 0.138E-04
   -.292E+01 -.239E+01 0.154E+02   0.293E+01 0.241E+01 -.154E+02   -.141E-01 -.147E-01 0.289E-02   0.536E-03 -.321E-03 -.134E-04
   0.611E+00 0.372E+01 0.154E+02   -.616E+00 -.374E+01 -.154E+02   0.562E-02 0.196E-01 0.289E-02   0.541E-03 -.310E-03 -.171E-04
   0.274E+01 0.182E+02 0.249E+02   -.275E+01 -.183E+02 -.249E+02   0.105E-01 0.111E+00 -.651E-02   0.531E-03 -.228E-03 0.296E-05
   0.214E+02 0.226E+02 0.397E+02   -.216E+02 -.229E+02 -.396E+02   0.117E+00 0.227E+00 -.157E-01   0.514E-03 -.390E-03 -.360E-04
   0.265E+02 -.450E+01 0.265E+02   -.268E+02 0.462E+01 -.264E+02   0.237E+00 -.119E+00 -.570E-01   0.676E-03 -.378E-03 0.755E-04
   0.916E+01 -.529E+01 0.155E+02   -.918E+01 0.530E+01 -.155E+02   0.180E-01 -.104E-01 0.524E-02   0.605E-03 -.356E-03 0.149E-04
   0.315E+01 -.341E+01 0.163E+02   -.317E+01 0.342E+01 -.163E+02   0.241E-01 -.845E-02 -.197E-02   0.528E-03 -.304E-03 0.525E-05
   -.605E+01 0.132E+02 0.199E+02   0.605E+01 -.132E+02 -.199E+02   -.582E-02 0.758E-01 -.108E-01   0.482E-03 -.313E-03 0.670E-05
   -.123E+02 0.335E+02 0.454E+02   0.124E+02 -.342E+02 -.457E+02   -.900E-01 0.681E+00 0.349E+00   0.654E-03 -.214E-03 0.128E-03
   0.265E+02 -.153E+02 0.687E+02   -.275E+02 0.159E+02 -.708E+02   0.979E+00 -.565E+00 0.210E+01   0.554E-03 -.323E-03 0.505E-03
   0.172E+02 -.207E+02 0.265E+02   -.174E+02 0.209E+02 -.264E+02   0.222E+00 -.146E+00 -.570E-01   0.663E-03 -.404E-03 0.705E-04
   0.126E+01 -.123E+02 0.186E+02   -.126E+01 0.123E+02 -.185E+02   0.329E-02 -.250E-01 -.545E-01   0.557E-03 -.330E-03 -.348E-05
   -.387E+01 0.156E+01 0.145E+02   0.388E+01 -.156E+01 -.144E+02   -.636E-02 0.259E-02 -.423E-01   0.569E-03 -.363E-03 -.313E-05
   -.182E+02 0.105E+02 0.206E+02   0.183E+02 -.106E+02 -.204E+02   -.640E-01 0.369E-01 -.129E+00   0.550E-03 -.314E-03 0.209E-04
   -.352E+02 -.612E+01 0.454E+02   0.358E+02 0.638E+01 -.457E+02   -.634E+00 -.262E+00 0.349E+00   0.516E-03 -.460E-03 0.131E-03
   -.888E+01 -.299E+02 0.397E+02   0.902E+01 0.301E+02 -.396E+02   -.139E+00 -.215E+00 -.157E-01   0.598E-03 -.255E-03 -.380E-04
   -.307E+01 -.846E+01 0.203E+02   0.310E+01 0.848E+01 -.203E+02   -.253E-01 -.218E-01 -.205E-01   0.634E-03 -.332E-03 0.765E-04
   0.127E+01 -.732E+00 0.155E+02   -.127E+01 0.731E+00 -.154E+02   -.148E-02 0.853E-03 -.270E-01   0.603E-03 -.346E-03 -.232E-04
   -.328E+01 0.257E+01 0.145E+02   0.329E+01 -.258E+01 -.144E+02   -.542E-02 0.421E-02 -.423E-01   0.601E-03 -.307E-03 0.173E-05
   -.144E+02 -.135E+01 0.199E+02   0.145E+02 0.139E+01 -.199E+02   -.686E-01 -.329E-01 -.108E-01   0.514E-03 -.263E-03 0.145E-04
   -.144E+02 -.115E+02 0.249E+02   0.144E+02 0.115E+02 -.249E+02   -.907E-01 -.645E-01 -.651E-02   0.465E-03 -.351E-03 0.595E-05
   0.307E+01 0.846E+01 0.203E+02   -.310E+01 -.848E+01 -.203E+02   0.253E-01 0.218E-01 -.205E-01   -.634E-03 0.332E-03 0.765E-04
   0.144E+02 0.115E+02 0.249E+02   -.144E+02 -.115E+02 -.249E+02   0.907E-01 0.645E-01 -.651E-02   -.465E-03 0.351E-03 0.595E-05
   0.144E+02 0.135E+01 0.199E+02   -.145E+02 -.139E+01 -.199E+02   0.686E-01 0.329E-01 -.108E-01   -.514E-03 0.263E-03 0.145E-04
   0.328E+01 -.257E+01 0.145E+02   -.329E+01 0.258E+01 -.144E+02   0.542E-02 -.421E-02 -.423E-01   -.601E-03 0.307E-03 0.173E-05
   -.127E+01 0.732E+00 0.155E+02   0.127E+01 -.731E+00 -.154E+02   0.148E-02 -.853E-03 -.270E-01   -.603E-03 0.346E-03 -.232E-04
   -.126E+01 0.123E+02 0.186E+02   0.126E+01 -.123E+02 -.185E+02   -.329E-02 0.250E-01 -.545E-01   -.557E-03 0.330E-03 -.348E-05
   0.888E+01 0.299E+02 0.397E+02   -.902E+01 -.301E+02 -.396E+02   0.139E+00 0.215E+00 -.157E-01   -.598E-03 0.255E-03 -.380E-04
   0.352E+02 0.612E+01 0.454E+02   -.358E+02 -.638E+01 -.457E+02   0.634E+00 0.262E+00 0.349E+00   -.516E-03 0.460E-03 0.131E-03
   0.182E+02 -.105E+02 0.206E+02   -.183E+02 0.106E+02 -.204E+02   0.640E-01 -.369E-01 -.129E+00   -.550E-03 0.314E-03 0.209E-04
   0.387E+01 -.156E+01 0.145E+02   -.388E+01 0.156E+01 -.144E+02   0.636E-02 -.259E-02 -.423E-01   -.569E-03 0.363E-03 -.313E-05
   -.315E+01 0.341E+01 0.163E+02   0.317E+01 -.342E+01 -.163E+02   -.241E-01 0.845E-02 -.197E-02   -.528E-03 0.304E-03 0.524E-05
   -.172E+02 0.207E+02 0.265E+02   0.174E+02 -.209E+02 -.264E+02   -.222E+00 0.146E+00 -.570E-01   -.663E-03 0.404E-03 0.705E-04
   -.265E+02 0.153E+02 0.687E+02   0.275E+02 -.159E+02 -.708E+02   -.979E+00 0.565E+00 0.210E+01   -.554E-03 0.323E-03 0.505E-03
   0.123E+02 -.335E+02 0.454E+02   -.124E+02 0.342E+02 -.457E+02   0.900E-01 -.681E+00 0.349E+00   -.654E-03 0.214E-03 0.128E-03
   0.605E+01 -.132E+02 0.199E+02   -.605E+01 0.132E+02 -.199E+02   0.582E-02 -.758E-01 -.108E-01   -.482E-03 0.313E-03 0.671E-05
   -.611E+00 -.372E+01 0.154E+02   0.616E+00 0.374E+01 -.154E+02   -.562E-02 -.196E-01 0.289E-02   -.541E-03 0.310E-03 -.171E-04
   -.916E+01 0.529E+01 0.155E+02   0.918E+01 -.530E+01 -.155E+02   -.180E-01 0.104E-01 0.524E-02   -.605E-03 0.356E-03 0.149E-04
   -.265E+02 0.450E+01 0.265E+02   0.268E+02 -.462E+01 -.264E+02   -.237E+00 0.119E+00 -.570E-01   -.676E-03 0.378E-03 0.755E-04
   -.214E+02 -.226E+02 0.397E+02   0.216E+02 0.229E+02 -.396E+02   -.117E+00 -.227E+00 -.157E-01   -.514E-03 0.390E-03 -.360E-04
   -.274E+01 -.182E+02 0.249E+02   0.275E+01 0.183E+02 -.249E+02   -.105E-01 -.111E+00 -.651E-02   -.531E-03 0.228E-03 0.296E-05
   0.196E+01 -.113E+01 0.178E+02   -.197E+01 0.114E+01 -.178E+02   0.847E-02 -.489E-02 -.345E-02   -.540E-03 0.315E-03 0.599E-04
   0.292E+01 0.239E+01 0.154E+02   -.293E+01 -.241E+01 -.154E+02   0.141E-01 0.147E-01 0.289E-02   -.536E-03 0.321E-03 -.134E-04
   -.453E+01 0.102E+01 0.163E+02   0.455E+01 -.104E+01 -.163E+02   -.194E-01 0.167E-01 -.197E-02   -.525E-03 0.309E-03 0.138E-04
   -.112E+02 -.504E+01 0.186E+02   0.113E+02 0.505E+01 -.185E+02   -.233E-01 -.966E-02 -.545E-01   -.562E-03 0.316E-03 0.215E-05
   -.579E+01 -.689E+01 0.203E+02   0.579E+01 0.692E+01 -.203E+02   -.625E-02 -.328E-01 -.205E-01   -.602E-03 0.382E-03 0.773E-04
 -----------------------------------------------------------------------------------------------
   -.183E-02 0.315E-03 0.854E+01   -.271E-12 -.799E-13 -.128E-12   -.243E-16 -.243E-15 -.853E+01   -.902E-08 0.255E-08 -.119E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85297      6.06077     12.31845         0.000000      0.000000      0.012176
      2.25921      6.76440     13.63909         0.007717      0.013367      0.012991
      1.44673      5.35715     13.63909        -0.007717     -0.013367      0.012991
      0.00052     -0.00030      9.93635         0.001369     -0.000790     -0.001947
     11.11236      2.13941      9.93893         0.000912     -0.002293     -0.003830
      9.87690      4.27889      9.95270        -0.001988      0.000823     -0.000080
      8.64350      6.41822      9.95308        -0.000528      0.000985     -0.000789
     -4.93630      8.55544      9.94631         0.000832     -0.000512      0.000822
      2.47024     -0.00107      9.94631         0.000860     -0.000465      0.000822
      1.23472      2.13613      9.95216         0.001714      0.002339     -0.000204
     -0.00393      4.27496      9.98301         0.000904     -0.003615      0.002485
     -1.23843      6.41597      9.99020         0.000420     -0.001075     -0.000334
     -2.46714      8.55499      9.96116         0.001778     -0.001026     -0.000417
      4.93868      0.00128      9.95308        -0.001117     -0.000035     -0.000789
      3.70491      2.13651      9.96147        -0.000744      0.001429     -0.000937
      2.47074      4.26301     10.02870         0.002827      0.000441     -0.001016
      1.22833      6.42141     10.10208         0.004310     -0.002488     -0.008826
     -0.00034      8.56040      9.99020         0.001141      0.000174     -0.000334
      7.40809      0.00279      9.95270        -0.001707      0.001310     -0.000080
      6.17350      2.14008      9.95336         0.000689     -0.000995     -0.001033
      4.94042      4.27823      9.98413         0.001842     -0.001063      0.000016
      3.71876      6.42465     10.02870         0.001031     -0.002669     -0.001016
      2.47108      8.56181      9.98301         0.003582      0.001025      0.002485
      9.87866      0.00259      9.93893         0.002441      0.000357     -0.003830
      8.64281      2.14066      9.94151         0.000794     -0.000459      0.001927
      7.40866      4.27944      9.95336         0.001206     -0.000099     -0.001033
      6.17745      6.41908      9.96147        -0.001609     -0.000070     -0.000937
      4.94268      8.55852      9.95216        -0.001169     -0.002654     -0.000204
     -0.00038      1.42477      9.93893        -0.002441     -0.000357     -0.003830
     -1.23675      3.56303      9.95216         0.001169      0.002654     -0.000204
     -2.47151      5.70246      9.96147         0.001609      0.000070     -0.000937
     -3.70272      7.84211      9.95336        -0.001206      0.000099     -0.001033
     -4.93687      9.98089      9.94151        -0.000794      0.000459      0.001927
      2.47019      1.42457      9.95270         0.001707     -0.001310     -0.000080
      1.23486      3.55974      9.98301        -0.003582     -0.001025      0.002485
     -0.01283      5.69690     10.02870        -0.001031      0.002669     -0.001016
     -1.23449      7.84332      9.98413        -0.001842      0.001063      0.000016
     -2.46756      9.98147      9.95336        -0.000689      0.000995     -0.001033
      4.93960      1.42608      9.95308         0.001117      0.000035     -0.000789
      3.70628      3.56115      9.99020        -0.001141     -0.000174     -0.000334
      2.47760      5.70014     10.10208        -0.004310      0.002488     -0.008826
      1.23519      7.85854     10.02870        -0.002827     -0.000441     -0.001016
      0.00103      9.98504      9.96147         0.000744     -0.001429     -0.000937
      7.40805      1.42843      9.94631        -0.000860      0.000465      0.000822
      6.17308      3.56656      9.96116        -0.001778      0.001026     -0.000417
      4.94437      5.70558      9.99020        -0.000420      0.001075     -0.000334
      3.70987      7.84659      9.98301        -0.000904      0.003615      0.002485
      2.47122      9.98542      9.95216        -0.001714     -0.002339     -0.000204
      9.87776      1.42766      9.93635        -0.001369      0.000790     -0.001947
      8.64224      3.56611      9.94631        -0.000832      0.000512      0.000822
      7.41005      5.70503      9.95308         0.000528     -0.000985     -0.000789
      6.17665      7.84435      9.95270         0.001988     -0.000823     -0.000080
      4.94119      9.98383      9.93893        -0.000912      0.002293     -0.003830
 -----------------------------------------------------------------------------------
    total drift:                               -0.001834      0.000315      0.011791


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




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


    WAVPRE:  VPU time    1.70: CPU time    1.70
    FEWALD:  VPU time    0.02: CPU time    0.01
    GENKIN:  VPU time    1.19: CPU time    1.19
    ORTHCH:  VPU time  182.51: CPU time   91.45
     LOOP+:  VPU time 4990.66: CPU time 2565.73


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


    POTLOK:  VPU time    9.23: CPU time    9.09
    SETDIJ:  VPU time    0.33: CPU time    0.33
    EDDAV :  VPU time 1346.77: CPU time  694.17
 BZINTS: Fermi energy: -3.152488;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  112.15: CPU time   56.48
    MIXING:  VPU time    0.14: CPU time    0.14
    ------------------------------------------
      LOOP:  VPU time 1468.70: CPU time  760.25

 eigenvalue-minimisations  :  3840
 total energy-change (2. order) :-0.4716449E+03  (-0.2102318E-05)
 number of electron  212.0000066 magnetization    0.0000000
 augmentation part     7.9600230 magnetization   -0.0000001

 Broyden mixing:
  rms(total) = 0.23085E-03    rms(broyden)= 0.23082E-03
  rms(prec ) = 0.24597E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34042.29170465
  -1/2 Hartree   DENC   =    -40942.43467829
  -V(xc)+E(xc)   XCENC  =       726.60635162
  PAW double counting   =      4092.79330539    -4131.17857067
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.16288397
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64491767 eV

  energy without entropy =     -471.64491767  energy(sigma->0) =     -471.64491767


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




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


    POTLOK:  VPU time    9.14: CPU time    9.14
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1368.22: CPU time  707.91
 BZINTS: Fermi energy: -3.152246;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1377.76: CPU time  717.42

 eigenvalue-minimisations  :  4024
 total energy-change (2. order) :-0.1471926E-06  (-0.1607218E-06)
 number of electron  212.0000066 magnetization    0.0000000
 augmentation part     7.9600230 magnetization   -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34042.29170465
  -1/2 Hartree   DENC   =    -40942.43784389
  -V(xc)+E(xc)   XCENC  =       726.60644756
  PAW double counting   =      4092.79670218    -4131.18196342
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.15981850
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64491782 eV

  energy without entropy =     -471.64491782  energy(sigma->0) =     -471.64491782


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




 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 -58.5422       2 -39.9893       3 -39.9893       4 -58.2439       5 -58.2484
       6 -58.2555       7 -58.2464       8 -58.2446       9 -58.2446      10 -58.2605
      11 -58.3151      12 -58.2920      13 -58.2496      14 -58.2464      15 -58.2574
      16 -58.4377      17 -58.7318      18 -58.2920      19 -58.2555      20 -58.2500
      21 -58.2771      22 -58.4377      23 -58.3151      24 -58.2484      25 -58.2433
      26 -58.2500      27 -58.2574      28 -58.2605      29 -58.2483      30 -58.2604
      31 -58.2573      32 -58.2499      33 -58.2432      34 -58.2554      35 -58.3150
      36 -58.4376      37 -58.2770      38 -58.2499      39 -58.2463      40 -58.2919
      41 -58.7317      42 -58.4376      43 -58.2573      44 -58.2445      45 -58.2495
      46 -58.2919      47 -58.3150      48 -58.2604      49 -58.2438      50 -58.2445
      51 -58.2463      52 -58.2555      53 -58.2483
 
 
 
 E-fermi :  -3.1522     XC(G=0):  -2.3419     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     -22.3555      1.00000
      2     -21.5361      1.00000
      3     -21.4061      1.00000
      4     -21.4051      1.00000
      5     -21.3739      1.00000
      6     -21.3647      1.00000
      7     -21.3574      1.00000
      8     -19.6457      1.00000
      9     -19.5713      1.00000
     10     -19.5642      1.00000
     11     -19.5578      1.00000
     12     -19.5393      1.00000
     13     -19.5364      1.00000
     14     -18.7275      1.00000
     15     -18.6788      1.00000
     16     -18.6713      1.00000
     17     -18.6577      1.00000
     18     -18.6423      1.00000
     19     -18.6405      1.00000
     20     -16.5859      1.00000
     21     -16.5260      1.00000
     22     -16.5233      1.00000
     23     -16.5103      1.00000
     24     -16.4860      1.00000
     25     -16.4841      1.00000
     26     -15.5579      1.00000
     27     -15.5255      1.00000
     28     -15.5247      1.00000
     29     -15.4991      1.00000
     30     -15.4937      1.00000
     31     -15.4881      1.00000
     32     -14.2061      1.00000
     33     -14.1797      1.00000
     34     -14.1665      1.00000
     35     -14.1643      1.00000
     36     -14.1591      1.00000
     37     -14.1477      1.00000
     38     -11.8848      1.00000
     39     -11.8075      1.00000
     40     -11.7917      1.00000
     41     -11.7913      1.00000
     42     -11.7881      1.00000
     43     -11.7825      1.00000
     44     -11.7040      1.00000
     45     -11.6973      1.00000
     46     -11.6719      1.00000
     47     -11.6569      1.00000
     48     -11.6567      1.00000
     49     -11.6497      1.00000
     50     -10.6758      1.00000
     51     -10.3285      1.00000
     52     -10.3207      1.00000
     53     -10.3049      1.00000
     54     -10.3032      1.00000
     55     -10.2902      1.00000
     56     -10.2771      1.00000
     57      -9.9297      1.00000
     58      -9.3725      1.00000
     59      -9.3586      1.00000
     60      -9.2994      1.00000
     61      -9.2911      1.00000
     62      -9.2842      1.00000
     63      -9.0922      1.00000
     64      -9.0542      1.00000
     65      -9.0487      1.00000
     66      -9.0264      1.00000
     67      -9.0062      1.00000
     68      -9.0011      1.00000
     69      -8.9998      1.00000
     70      -8.9942      1.00000
     71      -8.9913      1.00000
     72      -8.9720      1.00000
     73      -8.9641      1.00000
     74      -8.9531      1.00000
     75      -8.5083      1.00000
     76      -7.5127      1.00000
     77      -7.4104      1.00000
     78      -7.4103      1.00000
     79      -7.4012      1.00000
     80      -7.3833      1.00000
     81      -7.3634      1.00000
     82      -7.3409      1.00000
     83      -7.3077      1.00000
     84      -7.2693      1.00000
     85      -7.2055      1.00000
     86      -7.1791      1.00000
     87      -7.1788      1.00000
     88      -7.0721      1.00000
     89      -6.5096      1.00000
     90      -6.4607      1.00000
     91      -6.3545      1.00000
     92      -6.2925      1.00000
     93      -6.2871      1.00000
     94      -6.2858      1.00000
     95      -5.8965      1.00000
     96      -5.8843      1.00000
     97      -5.0526      1.00000
     98      -4.9366      1.00000
     99      -4.5394      1.00000
    100      -4.3398      1.00000
    101      -4.3173      1.00000
    102      -4.3163      1.00000
    103      -4.1156      1.00000
    104      -3.9128      1.00000
    105      -3.9016      1.00000
    106      -3.8363      1.00000
    107      -1.6808      0.00000
    108      -1.6679      0.00000
    109      -1.5364      0.00000
    110      -1.5346      0.00000
    111      -1.5215      0.00000
    112      -1.5087      0.00000
    113      -0.5816      0.00000
    114       0.1341      0.00000
    115       0.2056      0.00000
    116       0.3251      0.00000
    117       0.3272      0.00000
    118       0.3344      0.00000
    119       0.4981      0.00000
    120       0.5974      0.00000
    121       1.2604      0.00000
    122       1.2766      0.00000
    123       1.5290      0.00000
    124       1.7953      0.00000
    125       1.8048      0.00000
    126       1.8082      0.00000
    127       1.8131      0.00000
    128       1.9458      0.00000
    129       1.9808      0.00000
    130       2.0322      0.00000
    131       2.0456      0.00000
    132       2.0508      0.00000
    133       2.0557      0.00000
    134       2.0614      0.00000
    135       2.3089      0.00000
    136       2.3234      0.00000
    137       2.6145      0.00000
    138       2.6225      0.00000
    139       2.6512      0.00000
    140       2.7287      0.00000
    141       2.8629      0.00000
    142       3.0247      0.00000
    143       3.0539      0.00000
    144       3.0856      0.00000
    145       3.1003      0.00000
    146       3.1015      0.00000
    147       3.1019      0.00000
    148       3.2351      0.00000
    149       3.4509      0.00000
    150       3.5406      0.00000
    151       3.7838      0.00000
    152       3.9435      0.00000
    153       3.9457      0.00000
    154       3.9561      0.00000
    155       3.9608      0.00000
    156       3.9981      0.00000
    157       4.1841      0.00000
    158       4.2718      0.00000
    159       4.2889      0.00000
    160       4.2891      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3189      1.00000
      2     -21.7604      1.00000
      3     -21.5697      1.00000
      4     -21.5368      1.00000
      5     -21.2069      1.00000
      6     -21.1619      1.00000
      7     -20.9862      1.00000
      8     -20.1009      1.00000
      9     -20.0566      1.00000
     10     -19.5456      1.00000
     11     -19.5206      1.00000
     12     -19.3482      1.00000
     13     -19.0241      1.00000
     14     -18.9887      1.00000
     15     -18.9805      1.00000
     16     -18.9682      1.00000
     17     -18.2967      1.00000
     18     -18.2771      1.00000
     19     -17.9512      1.00000
     20     -17.0092      1.00000
     21     -16.9588      1.00000
     22     -16.8777      1.00000
     23     -16.8680      1.00000
     24     -16.4042      1.00000
     25     -16.3893      1.00000
     26     -15.5511      1.00000
     27     -15.5350      1.00000
     28     -15.1971      1.00000
     29     -15.1682      1.00000
     30     -15.1140      1.00000
     31     -15.0268      1.00000
     32     -15.0022      1.00000
     33     -14.6355      1.00000
     34     -14.6236      1.00000
     35     -13.6668      1.00000
     36     -13.6512      1.00000
     37     -13.1690      1.00000
     38     -12.5507      1.00000
     39     -12.5172      1.00000
     40     -12.3903      1.00000
     41     -12.3771      1.00000
     42     -12.0570      1.00000
     43     -12.0337      1.00000
     44     -11.6588      1.00000
     45     -11.6162      1.00000
     46     -11.1806      1.00000
     47     -11.1563      1.00000
     48     -10.9648      1.00000
     49     -10.9400      1.00000
     50     -10.8733      1.00000
     51     -10.8365      1.00000
     52     -10.6035      1.00000
     53     -10.0934      1.00000
     54     -10.0881      1.00000
     55     -10.0465      1.00000
     56      -9.9711      1.00000
     57      -9.6539      1.00000
     58      -9.6289      1.00000
     59      -9.5911      1.00000
     60      -9.5293      1.00000
     61      -9.5100      1.00000
     62      -9.4779      1.00000
     63      -9.2648      1.00000
     64      -9.2408      1.00000
     65      -9.2205      1.00000
     66      -9.1654      1.00000
     67      -9.0677      1.00000
     68      -9.0463      1.00000
     69      -9.0401      1.00000
     70      -8.8824      1.00000
     71      -8.8056      1.00000
     72      -8.5803      1.00000
     73      -8.5219      1.00000
     74      -8.4650      1.00000
     75      -8.0348      1.00000
     76      -7.8125      1.00000
     77      -7.8065      1.00000
     78      -7.7923      1.00000
     79      -7.6994      1.00000
     80      -7.6902      1.00000
     81      -7.3613      1.00000
     82      -7.2741      1.00000
     83      -7.2637      1.00000
     84      -7.2146      1.00000
     85      -7.1719      1.00000
     86      -7.0075      1.00000
     87      -6.9467      1.00000
     88      -6.7470      1.00000
     89      -6.6718      1.00000
     90      -6.5932      1.00000
     91      -6.5584      1.00000
     92      -6.0504      1.00000
     93      -6.0474      1.00000
     94      -6.0214      1.00000
     95      -5.9577      1.00000
     96      -5.7357      1.00000
     97      -5.1589      1.00000
     98      -4.9898      1.00000
     99      -4.7184      1.00000
    100      -4.6102      1.00000
    101      -4.4403      1.00000
    102      -4.3738      1.00000
    103      -4.1225      1.00000
    104      -3.8681      1.00000
    105      -3.8359      1.00000
    106      -3.7906      1.00000
    107      -1.7851      0.00000
    108      -1.7379      0.00000
    109      -1.3937      0.00000
    110      -1.3457      0.00000
    111      -1.2635      0.00000
    112      -1.2255      0.00000
    113      -0.7435      0.00000
    114      -0.3777      0.00000
    115      -0.2198      0.00000
    116      -0.0162      0.00000
    117       0.5917      0.00000
    118       0.7371      0.00000
    119       0.7641      0.00000
    120       1.0503      0.00000
    121       1.1417      0.00000
    122       1.2514      0.00000
    123       1.2737      0.00000
    124       1.4162      0.00000
    125       1.4807      0.00000
    126       1.5879      0.00000
    127       1.7581      0.00000
    128       1.8410      0.00000
    129       1.8965      0.00000
    130       1.9599      0.00000
    131       2.1085      0.00000
    132       2.2379      0.00000
    133       2.2504      0.00000
    134       2.2978      0.00000
    135       2.4887      0.00000
    136       2.6165      0.00000
    137       2.6382      0.00000
    138       2.7683      0.00000
    139       2.8009      0.00000
    140       2.8564      0.00000
    141       2.8676      0.00000
    142       2.8926      0.00000
    143       2.9603      0.00000
    144       3.0854      0.00000
    145       3.2830      0.00000
    146       3.3090      0.00000
    147       3.3743      0.00000
    148       3.4079      0.00000
    149       3.4681      0.00000
    150       3.5887      0.00000
    151       3.6375      0.00000
    152       3.6697      0.00000
    153       3.7073      0.00000
    154       3.9082      0.00000
    155       3.9444      0.00000
    156       3.9833      0.00000
    157       4.0882      0.00000
    158       4.2054      0.00000
    159       4.2440      0.00000
    160       4.2998      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2133      1.00000
      2     -22.0070      1.00000
      3     -21.6484      1.00000
      4     -21.6112      1.00000
      5     -20.9122      1.00000
      6     -20.8656      1.00000
      7     -20.5449      1.00000
      8     -20.5053      1.00000
      9     -20.4950      1.00000
     10     -19.9627      1.00000
     11     -19.4418      1.00000
     12     -19.4144      1.00000
     13     -19.2408      1.00000
     14     -19.2262      1.00000
     15     -18.3835      1.00000
     16     -18.3390      1.00000
     17     -17.8594      1.00000
     18     -17.8381      1.00000
     19     -17.6973      1.00000
     20     -17.6544      1.00000
     21     -17.3714      1.00000
     22     -17.3552      1.00000
     23     -17.2736      1.00000
     24     -16.4007      1.00000
     25     -16.3857      1.00000
     26     -15.8957      1.00000
     27     -15.3519      1.00000
     28     -15.3364      1.00000
     29     -15.0341      1.00000
     30     -15.0201      1.00000
     31     -14.7992      1.00000
     32     -14.7741      1.00000
     33     -14.2213      1.00000
     34     -14.1892      1.00000
     35     -13.3705      1.00000
     36     -13.3367      1.00000
     37     -13.1194      1.00000
     38     -13.1017      1.00000
     39     -12.9156      1.00000
     40     -12.9020      1.00000
     41     -12.5564      1.00000
     42     -12.5380      1.00000
     43     -12.1327      1.00000
     44     -11.5218      1.00000
     45     -11.4732      1.00000
     46     -11.2533      1.00000
     47     -11.2191      1.00000
     48     -11.0793      1.00000
     49     -10.6611      1.00000
     50     -10.5882      1.00000
     51     -10.5238      1.00000
     52     -10.2573      1.00000
     53     -10.2483      1.00000
     54     -10.1226      1.00000
     55     -10.0482      1.00000
     56     -10.0404      1.00000
     57      -9.7704      1.00000
     58      -9.7050      1.00000
     59      -9.6793      1.00000
     60      -9.6297      1.00000
     61      -9.6257      1.00000
     62      -9.5870      1.00000
     63      -9.2943      1.00000
     64      -9.2848      1.00000
     65      -9.2529      1.00000
     66      -9.0912      1.00000
     67      -8.8967      1.00000
     68      -8.8827      1.00000
     69      -8.7242      1.00000
     70      -8.5908      1.00000
     71      -8.5135      1.00000
     72      -8.3305      1.00000
     73      -8.3022      1.00000
     74      -8.2641      1.00000
     75      -8.2319      1.00000
     76      -8.1944      1.00000
     77      -8.1854      1.00000
     78      -8.1702      1.00000
     79      -8.1061      1.00000
     80      -7.6883      1.00000
     81      -7.3547      1.00000
     82      -7.3097      1.00000
     83      -7.2637      1.00000
     84      -7.1872      1.00000
     85      -7.1241      1.00000
     86      -7.0762      1.00000
     87      -6.9065      1.00000
     88      -6.8818      1.00000
     89      -6.5489      1.00000
     90      -6.4921      1.00000
     91      -6.2094      1.00000
     92      -6.0700      1.00000
     93      -5.9419      1.00000
     94      -5.7159      1.00000
     95      -5.6324      1.00000
     96      -5.4521      1.00000
     97      -5.3050      1.00000
     98      -5.2334      1.00000
     99      -5.1514      1.00000
    100      -5.1510      1.00000
    101      -4.5246      1.00000
    102      -4.4708      1.00000
    103      -4.1437      1.00000
    104      -3.8390      1.00000
    105      -3.7572      1.00000
    106      -3.6792      1.00000
    107      -1.8709      0.00000
    108      -1.8233      0.00000
    109      -1.2759      0.00000
    110      -1.0358      0.00000
    111      -1.0113      0.00000
    112      -0.7112      0.00000
    113      -0.6396      0.00000
    114      -0.5879      0.00000
    115      -0.5456      0.00000
    116      -0.1988      0.00000
    117       0.2530      0.00000
    118       0.2789      0.00000
    119       0.7621      0.00000
    120       0.9470      0.00000
    121       1.1330      0.00000
    122       1.2271      0.00000
    123       1.3217      0.00000
    124       1.4141      0.00000
    125       1.6020      0.00000
    126       1.6341      0.00000
    127       1.7028      0.00000
    128       1.8251      0.00000
    129       1.9217      0.00000
    130       2.0141      0.00000
    131       2.1083      0.00000
    132       2.3305      0.00000
    133       2.3965      0.00000
    134       2.4347      0.00000
    135       2.5435      0.00000
    136       2.6349      0.00000
    137       2.7557      0.00000
    138       2.8228      0.00000
    139       2.8343      0.00000
    140       2.8882      0.00000
    141       3.0425      0.00000
    142       3.0912      0.00000
    143       3.1887      0.00000
    144       3.2414      0.00000
    145       3.3897      0.00000
    146       3.4236      0.00000
    147       3.4831      0.00000
    148       3.5751      0.00000
    149       3.6020      0.00000
    150       3.6280      0.00000
    151       3.6525      0.00000
    152       3.7437      0.00000
    153       3.7730      0.00000
    154       3.7896      0.00000
    155       3.8074      0.00000
    156       3.8991      0.00000
    157       3.9789      0.00000
    158       4.0131      0.00000
    159       4.1783      0.00000
    160       4.2398      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2471      1.00000
      2     -21.8928      1.00000
      3     -21.8221      1.00000
      4     -21.3108      1.00000
      5     -21.2805      1.00000
      6     -20.7696      1.00000
      7     -20.7036      1.00000
      8     -20.5553      1.00000
      9     -20.0079      1.00000
     10     -20.0006      1.00000
     11     -19.6469      1.00000
     12     -19.6226      1.00000
     13     -18.9286      1.00000
     14     -18.9202      1.00000
     15     -18.5696      1.00000
     16     -18.5558      1.00000
     17     -18.3929      1.00000
     18     -17.6144      1.00000
     19     -17.5578      1.00000
     20     -17.5526      1.00000
     21     -17.5109      1.00000
     22     -17.0550      1.00000
     23     -17.0373      1.00000
     24     -16.8906      1.00000
     25     -15.9289      1.00000
     26     -15.8665      1.00000
     27     -15.5156      1.00000
     28     -15.5146      1.00000
     29     -15.2277      1.00000
     30     -14.7937      1.00000
     31     -14.7664      1.00000
     32     -14.5147      1.00000
     33     -14.4701      1.00000
     34     -14.1011      1.00000
     35     -14.0897      1.00000
     36     -13.0756      1.00000
     37     -13.0323      1.00000
     38     -12.9660      1.00000
     39     -12.9539      1.00000
     40     -12.6446      1.00000
     41     -12.6380      1.00000
     42     -12.2734      1.00000
     43     -12.2418      1.00000
     44     -11.5875      1.00000
     45     -11.5599      1.00000
     46     -11.5055      1.00000
     47     -10.9048      1.00000
     48     -10.8501      1.00000
     49     -10.6232      1.00000
     50     -10.5586      1.00000
     51     -10.4839      1.00000
     52     -10.4329      1.00000
     53     -10.4228      1.00000
     54     -10.3704      1.00000
     55     -10.2930      1.00000
     56     -10.0656      1.00000
     57      -9.8323      1.00000
     58      -9.5479      1.00000
     59      -9.4872      1.00000
     60      -9.4731      1.00000
     61      -9.3455      1.00000
     62      -9.3300      1.00000
     63      -9.3095      1.00000
     64      -9.3074      1.00000
     65      -9.2136      1.00000
     66      -9.1116      1.00000
     67      -9.0802      1.00000
     68      -9.0487      1.00000
     69      -8.8503      1.00000
     70      -8.7922      1.00000
     71      -8.7736      1.00000
     72      -8.5262      1.00000
     73      -8.4763      1.00000
     74      -8.2254      1.00000
     75      -8.1102      1.00000
     76      -8.0987      1.00000
     77      -7.8080      1.00000
     78      -7.7833      1.00000
     79      -7.7808      1.00000
     80      -7.6739      1.00000
     81      -7.6311      1.00000
     82      -7.6299      1.00000
     83      -7.3990      1.00000
     84      -7.3241      1.00000
     85      -7.1966      1.00000
     86      -6.8389      1.00000
     87      -6.8288      1.00000
     88      -6.6628      1.00000
     89      -6.5378      1.00000
     90      -6.3442      1.00000
     91      -6.3073      1.00000
     92      -6.1835      1.00000
     93      -6.1471      1.00000
     94      -5.9766      1.00000
     95      -5.5716      1.00000
     96      -5.4254      1.00000
     97      -5.2579      1.00000
     98      -5.2530      1.00000
     99      -5.1484      1.00000
    100      -4.6954      1.00000
    101      -4.6644      1.00000
    102      -4.3491      1.00000
    103      -4.3171      1.00000
    104      -3.9650      1.00000
    105      -3.8327      1.00000
    106      -3.3888      1.00000
    107      -2.2199      0.00000
    108      -1.3766      0.00000
    109      -1.2856      0.00000
    110      -1.1725      0.00000
    111      -1.0770      0.00000
    112      -0.8934      0.00000
    113      -0.7675      0.00000
    114      -0.7568      0.00000
    115      -0.2140      0.00000
    116       0.1138      0.00000
    117       0.2640      0.00000
    118       0.3462      0.00000
    119       0.7357      0.00000
    120       0.9039      0.00000
    121       0.9725      0.00000
    122       1.0958      0.00000
    123       1.2108      0.00000
    124       1.5308      0.00000
    125       1.5652      0.00000
    126       1.7174      0.00000
    127       1.8391      0.00000
    128       1.8628      0.00000
    129       1.9707      0.00000
    130       2.0014      0.00000
    131       2.1603      0.00000
    132       2.2701      0.00000
    133       2.4570      0.00000
    134       2.4696      0.00000
    135       2.5070      0.00000
    136       2.6664      0.00000
    137       2.6871      0.00000
    138       2.7342      0.00000
    139       2.7447      0.00000
    140       2.8951      0.00000
    141       3.0240      0.00000
    142       3.0839      0.00000
    143       3.1945      0.00000
    144       3.2557      0.00000
    145       3.2597      0.00000
    146       3.2706      0.00000
    147       3.3614      0.00000
    148       3.4853      0.00000
    149       3.5313      0.00000
    150       3.6991      0.00000
    151       3.7608      0.00000
    152       3.7706      0.00000
    153       3.8361      0.00000
    154       3.8822      0.00000
    155       3.9450      0.00000
    156       3.9842      0.00000
    157       4.0232      0.00000
    158       4.0509      0.00000
    159       4.0568      0.00000
    160       4.1240      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1412      1.00000
      2     -22.0458      1.00000
      3     -21.8857      1.00000
      4     -21.3338      1.00000
      5     -20.9810      1.00000
      6     -20.9423      1.00000
      7     -20.4326      1.00000
      8     -20.3898      1.00000
      9     -20.2257      1.00000
     10     -20.2042      1.00000
     11     -19.8883      1.00000
     12     -19.8206      1.00000
     13     -18.8141      1.00000
     14     -18.7429      1.00000
     15     -18.2893      1.00000
     16     -18.2357      1.00000
     17     -18.0851      1.00000
     18     -18.0649      1.00000
     19     -17.7608      1.00000
     20     -17.7184      1.00000
     21     -17.1882      1.00000
     22     -17.1693      1.00000
     23     -17.0989      1.00000
     24     -17.0630      1.00000
     25     -16.0371      1.00000
     26     -15.8222      1.00000
     27     -15.7989      1.00000
     28     -15.7639      1.00000
     29     -15.1731      1.00000
     30     -14.4906      1.00000
     31     -14.4577      1.00000
     32     -14.2173      1.00000
     33     -13.8945      1.00000
     34     -13.8896      1.00000
     35     -13.7554      1.00000
     36     -13.7353      1.00000
     37     -13.5511      1.00000
     38     -13.5024      1.00000
     39     -13.2991      1.00000
     40     -12.5636      1.00000
     41     -12.1250      1.00000
     42     -12.0653      1.00000
     43     -12.0095      1.00000
     44     -11.9507      1.00000
     45     -11.6107      1.00000
     46     -11.5875      1.00000
     47     -11.0853      1.00000
     48     -11.0513      1.00000
     49     -10.7536      1.00000
     50     -10.6632      1.00000
     51     -10.5279      1.00000
     52     -10.1483      1.00000
     53     -10.1378      1.00000
     54     -10.0953      1.00000
     55      -9.9525      1.00000
     56      -9.9473      1.00000
     57      -9.9165      1.00000
     58      -9.7373      1.00000
     59      -9.7307      1.00000
     60      -9.7002      1.00000
     61      -9.6903      1.00000
     62      -9.4308      1.00000
     63      -9.3627      1.00000
     64      -9.0880      1.00000
     65      -9.0064      1.00000
     66      -8.9740      1.00000
     67      -8.8874      1.00000
     68      -8.8104      1.00000
     69      -8.6583      1.00000
     70      -8.6346      1.00000
     71      -8.5807      1.00000
     72      -8.4777      1.00000
     73      -8.4673      1.00000
     74      -8.3977      1.00000
     75      -8.3937      1.00000
     76      -8.1831      1.00000
     77      -8.1156      1.00000
     78      -7.9763      1.00000
     79      -7.9168      1.00000
     80      -7.8464      1.00000
     81      -7.6187      1.00000
     82      -7.5297      1.00000
     83      -7.4684      1.00000
     84      -7.2523      1.00000
     85      -6.9343      1.00000
     86      -6.8573      1.00000
     87      -6.8105      1.00000
     88      -6.5755      1.00000
     89      -6.4667      1.00000
     90      -6.4198      1.00000
     91      -6.3558      1.00000
     92      -6.0524      1.00000
     93      -5.8778      1.00000
     94      -5.7526      1.00000
     95      -5.7209      1.00000
     96      -5.4772      1.00000
     97      -5.3459      1.00000
     98      -5.1796      1.00000
     99      -5.1554      1.00000
    100      -5.1540      1.00000
    101      -4.7078      1.00000
    102      -4.4411      1.00000
    103      -4.2571      1.00000
    104      -3.9967      1.00000
    105      -3.8315      1.00000
    106      -3.1554      1.00000
    107      -2.4626      0.00000
    108      -1.3778      0.00000
    109      -1.2410      0.00000
    110      -1.1456      0.00000
    111      -1.1140      0.00000
    112      -0.5618      0.00000
    113      -0.4343      0.00000
    114      -0.4288      0.00000
    115      -0.3098      0.00000
    116      -0.1889      0.00000
    117       0.0622      0.00000
    118       0.1185      0.00000
    119       0.5407      0.00000
    120       0.6846      0.00000
    121       0.8729      0.00000
    122       0.9700      0.00000
    123       1.1130      0.00000
    124       1.4973      0.00000
    125       1.6640      0.00000
    126       1.8057      0.00000
    127       1.8784      0.00000
    128       2.0947      0.00000
    129       2.1395      0.00000
    130       2.1984      0.00000
    131       2.2150      0.00000
    132       2.3405      0.00000
    133       2.3626      0.00000
    134       2.4891      0.00000
    135       2.5816      0.00000
    136       2.6699      0.00000
    137       2.8800      0.00000
    138       2.9383      0.00000
    139       2.9674      0.00000
    140       2.9926      0.00000
    141       3.0426      0.00000
    142       3.1519      0.00000
    143       3.1814      0.00000
    144       3.2466      0.00000
    145       3.2921      0.00000
    146       3.3336      0.00000
    147       3.3505      0.00000
    148       3.3808      0.00000
    149       3.4159      0.00000
    150       3.4979      0.00000
    151       3.5563      0.00000
    152       3.6352      0.00000
    153       3.6956      0.00000
    154       3.7109      0.00000
    155       3.7276      0.00000
    156       3.9217      0.00000
    157       3.9363      0.00000
    158       4.0606      0.00000
    159       4.0917      0.00000
    160       4.2043      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2469      1.00000
      2     -21.8943      1.00000
      3     -21.8206      1.00000
      4     -21.3154      1.00000
      5     -21.2765      1.00000
      6     -20.7707      1.00000
      7     -20.7016      1.00000
      8     -20.5537      1.00000
      9     -20.0221      1.00000
     10     -19.9895      1.00000
     11     -19.6495      1.00000
     12     -19.6183      1.00000
     13     -18.9427      1.00000
     14     -18.9077      1.00000
     15     -18.5832      1.00000
     16     -18.5457      1.00000
     17     -18.3913      1.00000
     18     -17.6014      1.00000
     19     -17.5699      1.00000
     20     -17.5403      1.00000
     21     -17.5075      1.00000
     22     -17.0738      1.00000
     23     -17.0267      1.00000
     24     -16.8993      1.00000
     25     -15.9448      1.00000
     26     -15.8503      1.00000
     27     -15.5326      1.00000
     28     -15.5057      1.00000
     29     -15.2086      1.00000
     30     -14.8132      1.00000
     31     -14.7605      1.00000
     32     -14.5089      1.00000
     33     -14.4670      1.00000
     34     -14.0955      1.00000
     35     -14.0924      1.00000
     36     -13.1044      1.00000
     37     -13.0289      1.00000
     38     -12.9560      1.00000
     39     -12.9488      1.00000
     40     -12.6553      1.00000
     41     -12.6266      1.00000
     42     -12.2734      1.00000
     43     -12.2463      1.00000
     44     -11.5727      1.00000
     45     -11.5529      1.00000
     46     -11.4998      1.00000
     47     -10.8779      1.00000
     48     -10.8686      1.00000
     49     -10.6847      1.00000
     50     -10.5246      1.00000
     51     -10.5197      1.00000
     52     -10.4328      1.00000
     53     -10.4150      1.00000
     54     -10.3693      1.00000
     55     -10.2872      1.00000
     56     -10.0609      1.00000
     57      -9.8311      1.00000
     58      -9.5592      1.00000
     59      -9.4838      1.00000
     60      -9.4457      1.00000
     61      -9.3551      1.00000
     62      -9.3384      1.00000
     63      -9.3070      1.00000
     64      -9.3015      1.00000
     65      -9.2054      1.00000
     66      -9.0988      1.00000
     67      -9.0676      1.00000
     68      -9.0485      1.00000
     69      -8.8537      1.00000
     70      -8.7961      1.00000
     71      -8.7777      1.00000
     72      -8.5264      1.00000
     73      -8.4980      1.00000
     74      -8.2305      1.00000
     75      -8.1291      1.00000
     76      -8.0924      1.00000
     77      -7.8063      1.00000
     78      -7.7668      1.00000
     79      -7.7383      1.00000
     80      -7.7044      1.00000
     81      -7.6351      1.00000
     82      -7.6239      1.00000
     83      -7.3868      1.00000
     84      -7.3434      1.00000
     85      -7.2164      1.00000
     86      -6.8430      1.00000
     87      -6.8197      1.00000
     88      -6.6404      1.00000
     89      -6.5286      1.00000
     90      -6.3408      1.00000
     91      -6.2725      1.00000
     92      -6.1950      1.00000
     93      -6.1311      1.00000
     94      -6.0212      1.00000
     95      -5.6386      1.00000
     96      -5.5079      1.00000
     97      -5.2973      1.00000
     98      -5.1554      1.00000
     99      -5.0397      1.00000
    100      -4.7270      1.00000
    101      -4.6848      1.00000
    102      -4.3678      1.00000
    103      -4.1867      1.00000
    104      -4.0098      1.00000
    105      -3.8310      1.00000
    106      -3.4835      1.00000
    107      -2.1637      0.00000
    108      -1.3825      0.00000
    109      -1.2354      0.00000
    110      -1.1841      0.00000
    111      -1.0133      0.00000
    112      -0.9555      0.00000
    113      -0.7970      0.00000
    114      -0.7515      0.00000
    115      -0.3622      0.00000
    116       0.2453      0.00000
    117       0.2771      0.00000
    118       0.3657      0.00000
    119       0.7019      0.00000
    120       0.8694      0.00000
    121       0.9660      0.00000
    122       1.1284      0.00000
    123       1.2377      0.00000
    124       1.4573      0.00000
    125       1.5578      0.00000
    126       1.7833      0.00000
    127       1.8517      0.00000
    128       1.8840      0.00000
    129       1.9885      0.00000
    130       2.0331      0.00000
    131       2.1983      0.00000
    132       2.2137      0.00000
    133       2.4046      0.00000
    134       2.4537      0.00000
    135       2.5542      0.00000
    136       2.6586      0.00000
    137       2.6853      0.00000
    138       2.7302      0.00000
    139       2.7691      0.00000
    140       2.8573      0.00000
    141       2.9679      0.00000
    142       3.0829      0.00000
    143       3.1898      0.00000
    144       3.2424      0.00000
    145       3.2587      0.00000
    146       3.2963      0.00000
    147       3.3334      0.00000
    148       3.4848      0.00000
    149       3.5116      0.00000
    150       3.7159      0.00000
    151       3.7257      0.00000
    152       3.7705      0.00000
    153       3.8636      0.00000
    154       3.8757      0.00000
    155       3.8998      0.00000
    156       3.9982      0.00000
    157       3.9998      0.00000
    158       4.0528      0.00000
    159       4.0655      0.00000
    160       4.0947      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3189      1.00000
      2     -21.7608      1.00000
      3     -21.5670      1.00000
      4     -21.5397      1.00000
      5     -21.2043      1.00000
      6     -21.1652      1.00000
      7     -20.9849      1.00000
      8     -20.0980      1.00000
      9     -20.0589      1.00000
     10     -19.5455      1.00000
     11     -19.5254      1.00000
     12     -19.3440      1.00000
     13     -19.0274      1.00000
     14     -18.9873      1.00000
     15     -18.9767      1.00000
     16     -18.9710      1.00000
     17     -18.2952      1.00000
     18     -18.2817      1.00000
     19     -17.9455      1.00000
     20     -17.0001      1.00000
     21     -16.9589      1.00000
     22     -16.8819      1.00000
     23     -16.8689      1.00000
     24     -16.4155      1.00000
     25     -16.3924      1.00000
     26     -15.5402      1.00000
     27     -15.5367      1.00000
     28     -15.1722      1.00000
     29     -15.1707      1.00000
     30     -15.1305      1.00000
     31     -15.0356      1.00000
     32     -15.0002      1.00000
     33     -14.6328      1.00000
     34     -14.6256      1.00000
     35     -13.6624      1.00000
     36     -13.6521      1.00000
     37     -13.1704      1.00000
     38     -12.5729      1.00000
     39     -12.5125      1.00000
     40     -12.3850      1.00000
     41     -12.3844      1.00000
     42     -12.0350      1.00000
     43     -12.0306      1.00000
     44     -11.6545      1.00000
     45     -11.6139      1.00000
     46     -11.2067      1.00000
     47     -11.1565      1.00000
     48     -10.9549      1.00000
     49     -10.9416      1.00000
     50     -10.8600      1.00000
     51     -10.8274      1.00000
     52     -10.6266      1.00000
     53     -10.1475      1.00000
     54     -10.0836      1.00000
     55     -10.0245      1.00000
     56      -9.9460      1.00000
     57      -9.6310      1.00000
     58      -9.6290      1.00000
     59      -9.6025      1.00000
     60      -9.5406      1.00000
     61      -9.5024      1.00000
     62      -9.4778      1.00000
     63      -9.2732      1.00000
     64      -9.2348      1.00000
     65      -9.2067      1.00000
     66      -9.1790      1.00000
     67      -9.0615      1.00000
     68      -9.0464      1.00000
     69      -9.0427      1.00000
     70      -8.8765      1.00000
     71      -8.8081      1.00000
     72      -8.5396      1.00000
     73      -8.5327      1.00000
     74      -8.5047      1.00000
     75      -8.0306      1.00000
     76      -7.8316      1.00000
     77      -7.8020      1.00000
     78      -7.7733      1.00000
     79      -7.7026      1.00000
     80      -7.6839      1.00000
     81      -7.4107      1.00000
     82      -7.2875      1.00000
     83      -7.2510      1.00000
     84      -7.2025      1.00000
     85      -7.0822      1.00000
     86      -7.0728      1.00000
     87      -6.9373      1.00000
     88      -6.7118      1.00000
     89      -6.6739      1.00000
     90      -6.6282      1.00000
     91      -6.5564      1.00000
     92      -6.0714      1.00000
     93      -6.0310      1.00000
     94      -6.0013      1.00000
     95      -5.9361      1.00000
     96      -5.8009      1.00000
     97      -5.1831      1.00000
     98      -4.8957      1.00000
     99      -4.7934      1.00000
    100      -4.6102      1.00000
    101      -4.5119      1.00000
    102      -4.1401      1.00000
    103      -4.0926      1.00000
    104      -3.9308      1.00000
    105      -3.9163      1.00000
    106      -3.8300      1.00000
    107      -1.7512      0.00000
    108      -1.6952      0.00000
    109      -1.4095      0.00000
    110      -1.3709      0.00000
    111      -1.2639      0.00000
    112      -1.2354      0.00000
    113      -0.6208      0.00000
    114      -0.5979      0.00000
    115      -0.1901      0.00000
    116       0.0448      0.00000
    117       0.5852      0.00000
    118       0.7407      0.00000
    119       0.8509      0.00000
    120       0.9292      0.00000
    121       1.1680      0.00000
    122       1.2120      0.00000
    123       1.2480      0.00000
    124       1.4214      0.00000
    125       1.6004      0.00000
    126       1.6409      0.00000
    127       1.7060      0.00000
    128       1.8062      0.00000
    129       1.9232      0.00000
    130       1.9404      0.00000
    131       2.1513      0.00000
    132       2.1743      0.00000
    133       2.2621      0.00000
    134       2.3028      0.00000
    135       2.5440      0.00000
    136       2.5616      0.00000
    137       2.6363      0.00000
    138       2.7614      0.00000
    139       2.8110      0.00000
    140       2.8465      0.00000
    141       2.8940      0.00000
    142       2.9448      0.00000
    143       3.0175      0.00000
    144       3.0297      0.00000
    145       3.0901      0.00000
    146       3.3160      0.00000
    147       3.3701      0.00000
    148       3.4174      0.00000
    149       3.4802      0.00000
    150       3.6041      0.00000
    151       3.6567      0.00000
    152       3.6656      0.00000
    153       3.6796      0.00000
    154       3.8944      0.00000
    155       3.9816      0.00000
    156       4.0295      0.00000
    157       4.0751      0.00000
    158       4.2366      0.00000
    159       4.2573      0.00000
    160       4.2715      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1403      1.00000
      2     -22.0473      1.00000
      3     -21.8852      1.00000
      4     -21.3347      1.00000
      5     -20.9759      1.00000
      6     -20.9465      1.00000
      7     -20.4273      1.00000
      8     -20.3953      1.00000
      9     -20.2152      1.00000
     10     -20.2134      1.00000
     11     -19.8871      1.00000
     12     -19.8231      1.00000
     13     -18.8171      1.00000
     14     -18.7460      1.00000
     15     -18.2651      1.00000
     16     -18.2511      1.00000
     17     -18.0795      1.00000
     18     -18.0730      1.00000
     19     -17.7452      1.00000
     20     -17.7295      1.00000
     21     -17.1944      1.00000
     22     -17.1709      1.00000
     23     -17.0882      1.00000
     24     -17.0672      1.00000
     25     -16.0533      1.00000
     26     -15.8077      1.00000
     27     -15.7983      1.00000
     28     -15.7771      1.00000
     29     -15.1587      1.00000
     30     -14.4851      1.00000
     31     -14.4636      1.00000
     32     -14.2037      1.00000
     33     -13.9163      1.00000
     34     -13.8859      1.00000
     35     -13.7587      1.00000
     36     -13.7380      1.00000
     37     -13.5358      1.00000
     38     -13.5098      1.00000
     39     -13.3006      1.00000
     40     -12.5761      1.00000
     41     -12.1008      1.00000
     42     -12.0766      1.00000
     43     -11.9981      1.00000
     44     -11.9501      1.00000
     45     -11.6055      1.00000
     46     -11.5975      1.00000
     47     -11.0846      1.00000
     48     -11.0607      1.00000
     49     -10.7322      1.00000
     50     -10.6637      1.00000
     51     -10.5618      1.00000
     52     -10.1393      1.00000
     53     -10.1346      1.00000
     54     -10.1000      1.00000
     55      -9.9658      1.00000
     56      -9.9247      1.00000
     57      -9.9206      1.00000
     58      -9.7508      1.00000
     59      -9.7286      1.00000
     60      -9.6969      1.00000
     61      -9.6944      1.00000
     62      -9.4022      1.00000
     63      -9.3888      1.00000
     64      -9.0705      1.00000
     65      -8.9817      1.00000
     66      -8.9809      1.00000
     67      -8.9060      1.00000
     68      -8.8112      1.00000
     69      -8.6499      1.00000
     70      -8.6334      1.00000
     71      -8.5512      1.00000
     72      -8.5018      1.00000
     73      -8.4821      1.00000
     74      -8.3940      1.00000
     75      -8.3817      1.00000
     76      -8.2096      1.00000
     77      -8.1030      1.00000
     78      -8.0068      1.00000
     79      -7.9022      1.00000
     80      -7.8440      1.00000
     81      -7.6215      1.00000
     82      -7.5328      1.00000
     83      -7.4561      1.00000
     84      -7.2494      1.00000
     85      -6.9425      1.00000
     86      -6.8687      1.00000
     87      -6.8091      1.00000
     88      -6.4773      1.00000
     89      -6.4687      1.00000
     90      -6.4085      1.00000
     91      -6.3593      1.00000
     92      -6.1935      1.00000
     93      -5.8576      1.00000
     94      -5.7369      1.00000
     95      -5.7106      1.00000
     96      -5.5245      1.00000
     97      -5.3284      1.00000
     98      -5.1718      1.00000
     99      -5.1669      1.00000
    100      -5.1334      1.00000
    101      -4.6955      1.00000
    102      -4.3482      1.00000
    103      -4.2830      1.00000
    104      -4.0301      1.00000
    105      -3.8325      1.00000
    106      -3.2327      1.00000
    107      -2.4044      0.00000
    108      -1.3442      0.00000
    109      -1.2434      0.00000
    110      -1.1527      0.00000
    111      -1.1080      0.00000
    112      -0.5807      0.00000
    113      -0.5216      0.00000
    114      -0.4334      0.00000
    115      -0.2747      0.00000
    116      -0.0681      0.00000
    117      -0.0098      0.00000
    118       0.0603      0.00000
    119       0.5832      0.00000
    120       0.7113      0.00000
    121       0.8114      0.00000
    122       0.9461      0.00000
    123       1.1852      0.00000
    124       1.5116      0.00000
    125       1.6221      0.00000
    126       1.8617      0.00000
    127       2.0064      0.00000
    128       2.0521      0.00000
    129       2.1152      0.00000
    130       2.1533      0.00000
    131       2.2636      0.00000
    132       2.2865      0.00000
    133       2.3487      0.00000
    134       2.4629      0.00000
    135       2.6109      0.00000
    136       2.7023      0.00000
    137       2.8212      0.00000
    138       2.9152      0.00000
    139       2.9431      0.00000
    140       3.0154      0.00000
    141       3.0496      0.00000
    142       3.1583      0.00000
    143       3.1632      0.00000
    144       3.2251      0.00000
    145       3.3001      0.00000
    146       3.3124      0.00000
    147       3.3538      0.00000
    148       3.3744      0.00000
    149       3.4181      0.00000
    150       3.4527      0.00000
    151       3.5654      0.00000
    152       3.6149      0.00000
    153       3.7023      0.00000
    154       3.7272      0.00000
    155       3.8495      0.00000
    156       3.9055      0.00000
    157       3.9332      0.00000
    158       3.9622      0.00000
    159       4.1491      0.00000
    160       4.1835      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2129      1.00000
      2     -22.0076      1.00000
      3     -21.6457      1.00000
      4     -21.6143      1.00000
      5     -20.9093      1.00000
      6     -20.8684      1.00000
      7     -20.5387      1.00000
      8     -20.5059      1.00000
      9     -20.4991      1.00000
     10     -19.9618      1.00000
     11     -19.4403      1.00000
     12     -19.4183      1.00000
     13     -19.2393      1.00000
     14     -19.2322      1.00000
     15     -18.3757      1.00000
     16     -18.3404      1.00000
     17     -17.8583      1.00000
     18     -17.8422      1.00000
     19     -17.6909      1.00000
     20     -17.6548      1.00000
     21     -17.3718      1.00000
     22     -17.3574      1.00000
     23     -17.2668      1.00000
     24     -16.4131      1.00000
     25     -16.3892      1.00000
     26     -15.9041      1.00000
     27     -15.3431      1.00000
     28     -15.3380      1.00000
     29     -15.0307      1.00000
     30     -15.0207      1.00000
     31     -14.7760      1.00000
     32     -14.7737      1.00000
     33     -14.2373      1.00000
     34     -14.1864      1.00000
     35     -13.3875      1.00000
     36     -13.3328      1.00000
     37     -13.1109      1.00000
     38     -13.1025      1.00000
     39     -12.9174      1.00000
     40     -12.9116      1.00000
     41     -12.5452      1.00000
     42     -12.5371      1.00000
     43     -12.1331      1.00000
     44     -11.5135      1.00000
     45     -11.4688      1.00000
     46     -11.2442      1.00000
     47     -11.2125      1.00000
     48     -11.0864      1.00000
     49     -10.7088      1.00000
     50     -10.5952      1.00000
     51     -10.5092      1.00000
     52     -10.2511      1.00000
     53     -10.2468      1.00000
     54     -10.1213      1.00000
     55     -10.0539      1.00000
     56     -10.0384      1.00000
     57      -9.7858      1.00000
     58      -9.6865      1.00000
     59      -9.6728      1.00000
     60      -9.6372      1.00000
     61      -9.6275      1.00000
     62      -9.5849      1.00000
     63      -9.2957      1.00000
     64      -9.2830      1.00000
     65      -9.2526      1.00000
     66      -9.0683      1.00000
     67      -8.8945      1.00000
     68      -8.8833      1.00000
     69      -8.7179      1.00000
     70      -8.5839      1.00000
     71      -8.5258      1.00000
     72      -8.3508      1.00000
     73      -8.3044      1.00000
     74      -8.2430      1.00000
     75      -8.2375      1.00000
     76      -8.1943      1.00000
     77      -8.1809      1.00000
     78      -8.1690      1.00000
     79      -8.1127      1.00000
     80      -7.6902      1.00000
     81      -7.4156      1.00000
     82      -7.3437      1.00000
     83      -7.2573      1.00000
     84      -7.1683      1.00000
     85      -7.1099      1.00000
     86      -7.0027      1.00000
     87      -6.9034      1.00000
     88      -6.8463      1.00000
     89      -6.5415      1.00000
     90      -6.4982      1.00000
     91      -6.2156      1.00000
     92      -6.2012      1.00000
     93      -5.8940      1.00000
     94      -5.6734      1.00000
     95      -5.6089      1.00000
     96      -5.5798      1.00000
     97      -5.2528      1.00000
     98      -5.2307      1.00000
     99      -5.1643      1.00000
    100      -5.1339      1.00000
    101      -4.5996      1.00000
    102      -4.2528      1.00000
    103      -4.0465      1.00000
    104      -3.8838      1.00000
    105      -3.8441      1.00000
    106      -3.8011      1.00000
    107      -1.8073      0.00000
    108      -1.7797      0.00000
    109      -1.2238      0.00000
    110      -1.1754      0.00000
    111      -0.9735      0.00000
    112      -0.7334      0.00000
    113      -0.6501      0.00000
    114      -0.5934      0.00000
    115      -0.5492      0.00000
    116      -0.1482      0.00000
    117       0.1765      0.00000
    118       0.2885      0.00000
    119       0.7068      0.00000
    120       0.9509      0.00000
    121       1.1685      0.00000
    122       1.2787      0.00000
    123       1.3486      0.00000
    124       1.5137      0.00000
    125       1.6092      0.00000
    126       1.6285      0.00000
    127       1.6926      0.00000
    128       1.7751      0.00000
    129       1.8636      0.00000
    130       2.0796      0.00000
    131       2.1684      0.00000
    132       2.3189      0.00000
    133       2.3955      0.00000
    134       2.4242      0.00000
    135       2.5582      0.00000
    136       2.6256      0.00000
    137       2.6873      0.00000
    138       2.7468      0.00000
    139       2.8175      0.00000
    140       2.9092      0.00000
    141       3.0528      0.00000
    142       3.0624      0.00000
    143       3.1851      0.00000
    144       3.2827      0.00000
    145       3.3803      0.00000
    146       3.4158      0.00000
    147       3.4619      0.00000
    148       3.5453      0.00000
    149       3.5745      0.00000
    150       3.6351      0.00000
    151       3.6651      0.00000
    152       3.7017      0.00000
    153       3.7886      0.00000
    154       3.8002      0.00000
    155       3.8264      0.00000
    156       3.8955      0.00000
    157       3.9094      0.00000
    158       3.9827      0.00000
    159       4.1902      0.00000
    160       4.2361      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3555      1.00000
      2     -21.5361      1.00000
      3     -21.4061      1.00000
      4     -21.4051      1.00000
      5     -21.3739      1.00000
      6     -21.3647      1.00000
      7     -21.3574      1.00000
      8     -19.6457      1.00000
      9     -19.5713      1.00000
     10     -19.5642      1.00000
     11     -19.5578      1.00000
     12     -19.5393      1.00000
     13     -19.5364      1.00000
     14     -18.7275      1.00000
     15     -18.6788      1.00000
     16     -18.6713      1.00000
     17     -18.6577      1.00000
     18     -18.6423      1.00000
     19     -18.6405      1.00000
     20     -16.5859      1.00000
     21     -16.5260      1.00000
     22     -16.5233      1.00000
     23     -16.5103      1.00000
     24     -16.4860      1.00000
     25     -16.4841      1.00000
     26     -15.5579      1.00000
     27     -15.5255      1.00000
     28     -15.5247      1.00000
     29     -15.4991      1.00000
     30     -15.4937      1.00000
     31     -15.4881      1.00000
     32     -14.2061      1.00000
     33     -14.1797      1.00000
     34     -14.1665      1.00000
     35     -14.1643      1.00000
     36     -14.1591      1.00000
     37     -14.1477      1.00000
     38     -11.8848      1.00000
     39     -11.8075      1.00000
     40     -11.7917      1.00000
     41     -11.7913      1.00000
     42     -11.7881      1.00000
     43     -11.7825      1.00000
     44     -11.7040      1.00000
     45     -11.6973      1.00000
     46     -11.6719      1.00000
     47     -11.6569      1.00000
     48     -11.6567      1.00000
     49     -11.6497      1.00000
     50     -10.6758      1.00000
     51     -10.3285      1.00000
     52     -10.3207      1.00000
     53     -10.3049      1.00000
     54     -10.3032      1.00000
     55     -10.2902      1.00000
     56     -10.2771      1.00000
     57      -9.9297      1.00000
     58      -9.3725      1.00000
     59      -9.3586      1.00000
     60      -9.2994      1.00000
     61      -9.2911      1.00000
     62      -9.2842      1.00000
     63      -9.0922      1.00000
     64      -9.0542      1.00000
     65      -9.0487      1.00000
     66      -9.0264      1.00000
     67      -9.0062      1.00000
     68      -9.0011      1.00000
     69      -8.9998      1.00000
     70      -8.9942      1.00000
     71      -8.9913      1.00000
     72      -8.9720      1.00000
     73      -8.9641      1.00000
     74      -8.9531      1.00000
     75      -8.5083      1.00000
     76      -7.5127      1.00000
     77      -7.4104      1.00000
     78      -7.4103      1.00000
     79      -7.4012      1.00000
     80      -7.3833      1.00000
     81      -7.3634      1.00000
     82      -7.3409      1.00000
     83      -7.3077      1.00000
     84      -7.2693      1.00000
     85      -7.2055      1.00000
     86      -7.1791      1.00000
     87      -7.1788      1.00000
     88      -7.0721      1.00000
     89      -6.5096      1.00000
     90      -6.4607      1.00000
     91      -6.3545      1.00000
     92      -6.2925      1.00000
     93      -6.2871      1.00000
     94      -6.2858      1.00000
     95      -5.8965      1.00000
     96      -5.8843      1.00000
     97      -5.0526      1.00000
     98      -4.9366      1.00000
     99      -4.5394      1.00000
    100      -4.3398      1.00000
    101      -4.3173      1.00000
    102      -4.3163      1.00000
    103      -4.1156      1.00000
    104      -3.9128      1.00000
    105      -3.9016      1.00000
    106      -3.8363      1.00000
    107      -1.6808      0.00000
    108      -1.6679      0.00000
    109      -1.5364      0.00000
    110      -1.5346      0.00000
    111      -1.5215      0.00000
    112      -1.5087      0.00000
    113      -0.5816      0.00000
    114       0.1341      0.00000
    115       0.2056      0.00000
    116       0.3251      0.00000
    117       0.3272      0.00000
    118       0.3344      0.00000
    119       0.4981      0.00000
    120       0.5974      0.00000
    121       1.2604      0.00000
    122       1.2766      0.00000
    123       1.5290      0.00000
    124       1.7953      0.00000
    125       1.8048      0.00000
    126       1.8082      0.00000
    127       1.8131      0.00000
    128       1.9458      0.00000
    129       1.9808      0.00000
    130       2.0322      0.00000
    131       2.0456      0.00000
    132       2.0508      0.00000
    133       2.0557      0.00000
    134       2.0614      0.00000
    135       2.3089      0.00000
    136       2.3234      0.00000
    137       2.6145      0.00000
    138       2.6225      0.00000
    139       2.6512      0.00000
    140       2.7287      0.00000
    141       2.8629      0.00000
    142       3.0247      0.00000
    143       3.0539      0.00000
    144       3.0856      0.00000
    145       3.1003      0.00000
    146       3.1015      0.00000
    147       3.1019      0.00000
    148       3.2351      0.00000
    149       3.4509      0.00000
    150       3.5406      0.00000
    151       3.7838      0.00000
    152       3.9436      0.00000
    153       3.9457      0.00000
    154       3.9561      0.00000
    155       3.9608      0.00000
    156       3.9981      0.00000
    157       4.1841      0.00000
    158       4.2718      0.00000
    159       4.2889      0.00000
    160       4.2891      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3189      1.00000
      2     -21.7604      1.00000
      3     -21.5697      1.00000
      4     -21.5368      1.00000
      5     -21.2069      1.00000
      6     -21.1619      1.00000
      7     -20.9862      1.00000
      8     -20.1009      1.00000
      9     -20.0566      1.00000
     10     -19.5456      1.00000
     11     -19.5206      1.00000
     12     -19.3482      1.00000
     13     -19.0241      1.00000
     14     -18.9887      1.00000
     15     -18.9805      1.00000
     16     -18.9682      1.00000
     17     -18.2967      1.00000
     18     -18.2771      1.00000
     19     -17.9512      1.00000
     20     -17.0092      1.00000
     21     -16.9588      1.00000
     22     -16.8777      1.00000
     23     -16.8680      1.00000
     24     -16.4042      1.00000
     25     -16.3893      1.00000
     26     -15.5511      1.00000
     27     -15.5350      1.00000
     28     -15.1971      1.00000
     29     -15.1682      1.00000
     30     -15.1140      1.00000
     31     -15.0268      1.00000
     32     -15.0022      1.00000
     33     -14.6355      1.00000
     34     -14.6236      1.00000
     35     -13.6668      1.00000
     36     -13.6512      1.00000
     37     -13.1690      1.00000
     38     -12.5507      1.00000
     39     -12.5172      1.00000
     40     -12.3903      1.00000
     41     -12.3771      1.00000
     42     -12.0570      1.00000
     43     -12.0337      1.00000
     44     -11.6588      1.00000
     45     -11.6162      1.00000
     46     -11.1806      1.00000
     47     -11.1563      1.00000
     48     -10.9648      1.00000
     49     -10.9400      1.00000
     50     -10.8733      1.00000
     51     -10.8365      1.00000
     52     -10.6035      1.00000
     53     -10.0934      1.00000
     54     -10.0881      1.00000
     55     -10.0465      1.00000
     56      -9.9711      1.00000
     57      -9.6539      1.00000
     58      -9.6289      1.00000
     59      -9.5911      1.00000
     60      -9.5293      1.00000
     61      -9.5100      1.00000
     62      -9.4779      1.00000
     63      -9.2648      1.00000
     64      -9.2408      1.00000
     65      -9.2205      1.00000
     66      -9.1654      1.00000
     67      -9.0677      1.00000
     68      -9.0463      1.00000
     69      -9.0401      1.00000
     70      -8.8824      1.00000
     71      -8.8056      1.00000
     72      -8.5803      1.00000
     73      -8.5219      1.00000
     74      -8.4650      1.00000
     75      -8.0348      1.00000
     76      -7.8125      1.00000
     77      -7.8065      1.00000
     78      -7.7923      1.00000
     79      -7.6994      1.00000
     80      -7.6902      1.00000
     81      -7.3613      1.00000
     82      -7.2741      1.00000
     83      -7.2637      1.00000
     84      -7.2146      1.00000
     85      -7.1719      1.00000
     86      -7.0075      1.00000
     87      -6.9467      1.00000
     88      -6.7470      1.00000
     89      -6.6718      1.00000
     90      -6.5932      1.00000
     91      -6.5584      1.00000
     92      -6.0504      1.00000
     93      -6.0474      1.00000
     94      -6.0214      1.00000
     95      -5.9577      1.00000
     96      -5.7357      1.00000
     97      -5.1589      1.00000
     98      -4.9898      1.00000
     99      -4.7184      1.00000
    100      -4.6102      1.00000
    101      -4.4403      1.00000
    102      -4.3738      1.00000
    103      -4.1225      1.00000
    104      -3.8681      1.00000
    105      -3.8359      1.00000
    106      -3.7906      1.00000
    107      -1.7851      0.00000
    108      -1.7379      0.00000
    109      -1.3937      0.00000
    110      -1.3457      0.00000
    111      -1.2635      0.00000
    112      -1.2255      0.00000
    113      -0.7435      0.00000
    114      -0.3777      0.00000
    115      -0.2198      0.00000
    116      -0.0162      0.00000
    117       0.5917      0.00000
    118       0.7371      0.00000
    119       0.7641      0.00000
    120       1.0503      0.00000
    121       1.1417      0.00000
    122       1.2514      0.00000
    123       1.2737      0.00000
    124       1.4162      0.00000
    125       1.4807      0.00000
    126       1.5879      0.00000
    127       1.7581      0.00000
    128       1.8410      0.00000
    129       1.8965      0.00000
    130       1.9599      0.00000
    131       2.1085      0.00000
    132       2.2379      0.00000
    133       2.2504      0.00000
    134       2.2978      0.00000
    135       2.4887      0.00000
    136       2.6165      0.00000
    137       2.6382      0.00000
    138       2.7683      0.00000
    139       2.8009      0.00000
    140       2.8564      0.00000
    141       2.8676      0.00000
    142       2.8926      0.00000
    143       2.9603      0.00000
    144       3.0854      0.00000
    145       3.2830      0.00000
    146       3.3090      0.00000
    147       3.3744      0.00000
    148       3.4079      0.00000
    149       3.4681      0.00000
    150       3.5887      0.00000
    151       3.6376      0.00000
    152       3.6697      0.00000
    153       3.7073      0.00000
    154       3.9082      0.00000
    155       3.9444      0.00000
    156       3.9833      0.00000
    157       4.0882      0.00000
    158       4.2054      0.00000
    159       4.2440      0.00000
    160       4.2998      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2133      1.00000
      2     -22.0070      1.00000
      3     -21.6484      1.00000
      4     -21.6112      1.00000
      5     -20.9122      1.00000
      6     -20.8656      1.00000
      7     -20.5449      1.00000
      8     -20.5053      1.00000
      9     -20.4950      1.00000
     10     -19.9627      1.00000
     11     -19.4418      1.00000
     12     -19.4144      1.00000
     13     -19.2408      1.00000
     14     -19.2262      1.00000
     15     -18.3835      1.00000
     16     -18.3390      1.00000
     17     -17.8594      1.00000
     18     -17.8381      1.00000
     19     -17.6973      1.00000
     20     -17.6544      1.00000
     21     -17.3714      1.00000
     22     -17.3552      1.00000
     23     -17.2736      1.00000
     24     -16.4007      1.00000
     25     -16.3857      1.00000
     26     -15.8957      1.00000
     27     -15.3519      1.00000
     28     -15.3364      1.00000
     29     -15.0341      1.00000
     30     -15.0201      1.00000
     31     -14.7992      1.00000
     32     -14.7741      1.00000
     33     -14.2213      1.00000
     34     -14.1892      1.00000
     35     -13.3705      1.00000
     36     -13.3367      1.00000
     37     -13.1194      1.00000
     38     -13.1017      1.00000
     39     -12.9156      1.00000
     40     -12.9020      1.00000
     41     -12.5564      1.00000
     42     -12.5380      1.00000
     43     -12.1327      1.00000
     44     -11.5218      1.00000
     45     -11.4732      1.00000
     46     -11.2533      1.00000
     47     -11.2191      1.00000
     48     -11.0793      1.00000
     49     -10.6611      1.00000
     50     -10.5882      1.00000
     51     -10.5238      1.00000
     52     -10.2573      1.00000
     53     -10.2483      1.00000
     54     -10.1226      1.00000
     55     -10.0482      1.00000
     56     -10.0404      1.00000
     57      -9.7704      1.00000
     58      -9.7050      1.00000
     59      -9.6793      1.00000
     60      -9.6297      1.00000
     61      -9.6257      1.00000
     62      -9.5870      1.00000
     63      -9.2943      1.00000
     64      -9.2848      1.00000
     65      -9.2529      1.00000
     66      -9.0912      1.00000
     67      -8.8967      1.00000
     68      -8.8827      1.00000
     69      -8.7242      1.00000
     70      -8.5908      1.00000
     71      -8.5135      1.00000
     72      -8.3305      1.00000
     73      -8.3022      1.00000
     74      -8.2641      1.00000
     75      -8.2319      1.00000
     76      -8.1944      1.00000
     77      -8.1854      1.00000
     78      -8.1702      1.00000
     79      -8.1061      1.00000
     80      -7.6883      1.00000
     81      -7.3547      1.00000
     82      -7.3097      1.00000
     83      -7.2637      1.00000
     84      -7.1872      1.00000
     85      -7.1241      1.00000
     86      -7.0762      1.00000
     87      -6.9065      1.00000
     88      -6.8818      1.00000
     89      -6.5489      1.00000
     90      -6.4921      1.00000
     91      -6.2094      1.00000
     92      -6.0700      1.00000
     93      -5.9419      1.00000
     94      -5.7159      1.00000
     95      -5.6324      1.00000
     96      -5.4521      1.00000
     97      -5.3050      1.00000
     98      -5.2334      1.00000
     99      -5.1514      1.00000
    100      -5.1510      1.00000
    101      -4.5246      1.00000
    102      -4.4708      1.00000
    103      -4.1437      1.00000
    104      -3.8390      1.00000
    105      -3.7572      1.00000
    106      -3.6792      1.00000
    107      -1.8709      0.00000
    108      -1.8233      0.00000
    109      -1.2759      0.00000
    110      -1.0358      0.00000
    111      -1.0113      0.00000
    112      -0.7112      0.00000
    113      -0.6396      0.00000
    114      -0.5879      0.00000
    115      -0.5456      0.00000
    116      -0.1988      0.00000
    117       0.2530      0.00000
    118       0.2789      0.00000
    119       0.7621      0.00000
    120       0.9470      0.00000
    121       1.1330      0.00000
    122       1.2271      0.00000
    123       1.3217      0.00000
    124       1.4141      0.00000
    125       1.6020      0.00000
    126       1.6341      0.00000
    127       1.7028      0.00000
    128       1.8251      0.00000
    129       1.9217      0.00000
    130       2.0141      0.00000
    131       2.1083      0.00000
    132       2.3305      0.00000
    133       2.3965      0.00000
    134       2.4347      0.00000
    135       2.5435      0.00000
    136       2.6349      0.00000
    137       2.7557      0.00000
    138       2.8228      0.00000
    139       2.8343      0.00000
    140       2.8882      0.00000
    141       3.0425      0.00000
    142       3.0912      0.00000
    143       3.1887      0.00000
    144       3.2414      0.00000
    145       3.3897      0.00000
    146       3.4236      0.00000
    147       3.4831      0.00000
    148       3.5751      0.00000
    149       3.6020      0.00000
    150       3.6280      0.00000
    151       3.6525      0.00000
    152       3.7437      0.00000
    153       3.7730      0.00000
    154       3.7896      0.00000
    155       3.8074      0.00000
    156       3.8991      0.00000
    157       3.9789      0.00000
    158       4.0131      0.00000
    159       4.1783      0.00000
    160       4.2398      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2471      1.00000
      2     -21.8928      1.00000
      3     -21.8221      1.00000
      4     -21.3108      1.00000
      5     -21.2805      1.00000
      6     -20.7696      1.00000
      7     -20.7036      1.00000
      8     -20.5553      1.00000
      9     -20.0079      1.00000
     10     -20.0006      1.00000
     11     -19.6469      1.00000
     12     -19.6226      1.00000
     13     -18.9286      1.00000
     14     -18.9202      1.00000
     15     -18.5696      1.00000
     16     -18.5558      1.00000
     17     -18.3929      1.00000
     18     -17.6144      1.00000
     19     -17.5578      1.00000
     20     -17.5526      1.00000
     21     -17.5109      1.00000
     22     -17.0550      1.00000
     23     -17.0373      1.00000
     24     -16.8906      1.00000
     25     -15.9289      1.00000
     26     -15.8665      1.00000
     27     -15.5156      1.00000
     28     -15.5146      1.00000
     29     -15.2277      1.00000
     30     -14.7937      1.00000
     31     -14.7664      1.00000
     32     -14.5147      1.00000
     33     -14.4701      1.00000
     34     -14.1011      1.00000
     35     -14.0897      1.00000
     36     -13.0756      1.00000
     37     -13.0323      1.00000
     38     -12.9660      1.00000
     39     -12.9539      1.00000
     40     -12.6446      1.00000
     41     -12.6380      1.00000
     42     -12.2734      1.00000
     43     -12.2418      1.00000
     44     -11.5875      1.00000
     45     -11.5599      1.00000
     46     -11.5055      1.00000
     47     -10.9048      1.00000
     48     -10.8501      1.00000
     49     -10.6232      1.00000
     50     -10.5586      1.00000
     51     -10.4839      1.00000
     52     -10.4329      1.00000
     53     -10.4228      1.00000
     54     -10.3704      1.00000
     55     -10.2930      1.00000
     56     -10.0656      1.00000
     57      -9.8323      1.00000
     58      -9.5479      1.00000
     59      -9.4872      1.00000
     60      -9.4731      1.00000
     61      -9.3455      1.00000
     62      -9.3300      1.00000
     63      -9.3095      1.00000
     64      -9.3074      1.00000
     65      -9.2136      1.00000
     66      -9.1116      1.00000
     67      -9.0802      1.00000
     68      -9.0487      1.00000
     69      -8.8503      1.00000
     70      -8.7922      1.00000
     71      -8.7736      1.00000
     72      -8.5262      1.00000
     73      -8.4763      1.00000
     74      -8.2254      1.00000
     75      -8.1102      1.00000
     76      -8.0987      1.00000
     77      -7.8080      1.00000
     78      -7.7833      1.00000
     79      -7.7808      1.00000
     80      -7.6739      1.00000
     81      -7.6311      1.00000
     82      -7.6299      1.00000
     83      -7.3990      1.00000
     84      -7.3241      1.00000
     85      -7.1966      1.00000
     86      -6.8389      1.00000
     87      -6.8288      1.00000
     88      -6.6628      1.00000
     89      -6.5378      1.00000
     90      -6.3442      1.00000
     91      -6.3073      1.00000
     92      -6.1835      1.00000
     93      -6.1471      1.00000
     94      -5.9766      1.00000
     95      -5.5716      1.00000
     96      -5.4254      1.00000
     97      -5.2579      1.00000
     98      -5.2530      1.00000
     99      -5.1484      1.00000
    100      -4.6954      1.00000
    101      -4.6644      1.00000
    102      -4.3491      1.00000
    103      -4.3171      1.00000
    104      -3.9650      1.00000
    105      -3.8327      1.00000
    106      -3.3888      1.00000
    107      -2.2199      0.00000
    108      -1.3766      0.00000
    109      -1.2856      0.00000
    110      -1.1725      0.00000
    111      -1.0770      0.00000
    112      -0.8934      0.00000
    113      -0.7675      0.00000
    114      -0.7568      0.00000
    115      -0.2140      0.00000
    116       0.1138      0.00000
    117       0.2640      0.00000
    118       0.3462      0.00000
    119       0.7357      0.00000
    120       0.9039      0.00000
    121       0.9725      0.00000
    122       1.0958      0.00000
    123       1.2108      0.00000
    124       1.5308      0.00000
    125       1.5652      0.00000
    126       1.7174      0.00000
    127       1.8391      0.00000
    128       1.8628      0.00000
    129       1.9707      0.00000
    130       2.0014      0.00000
    131       2.1603      0.00000
    132       2.2701      0.00000
    133       2.4570      0.00000
    134       2.4696      0.00000
    135       2.5070      0.00000
    136       2.6664      0.00000
    137       2.6871      0.00000
    138       2.7342      0.00000
    139       2.7448      0.00000
    140       2.8951      0.00000
    141       3.0240      0.00000
    142       3.0839      0.00000
    143       3.1945      0.00000
    144       3.2557      0.00000
    145       3.2598      0.00000
    146       3.2706      0.00000
    147       3.3614      0.00000
    148       3.4853      0.00000
    149       3.5313      0.00000
    150       3.6991      0.00000
    151       3.7608      0.00000
    152       3.7706      0.00000
    153       3.8361      0.00000
    154       3.8822      0.00000
    155       3.9450      0.00000
    156       3.9842      0.00000
    157       4.0232      0.00000
    158       4.0509      0.00000
    159       4.0568      0.00000
    160       4.1239      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1412      1.00000
      2     -22.0458      1.00000
      3     -21.8857      1.00000
      4     -21.3338      1.00000
      5     -20.9810      1.00000
      6     -20.9423      1.00000
      7     -20.4326      1.00000
      8     -20.3898      1.00000
      9     -20.2257      1.00000
     10     -20.2042      1.00000
     11     -19.8883      1.00000
     12     -19.8206      1.00000
     13     -18.8141      1.00000
     14     -18.7429      1.00000
     15     -18.2893      1.00000
     16     -18.2357      1.00000
     17     -18.0851      1.00000
     18     -18.0649      1.00000
     19     -17.7608      1.00000
     20     -17.7184      1.00000
     21     -17.1882      1.00000
     22     -17.1693      1.00000
     23     -17.0989      1.00000
     24     -17.0630      1.00000
     25     -16.0371      1.00000
     26     -15.8222      1.00000
     27     -15.7989      1.00000
     28     -15.7639      1.00000
     29     -15.1731      1.00000
     30     -14.4906      1.00000
     31     -14.4577      1.00000
     32     -14.2173      1.00000
     33     -13.8945      1.00000
     34     -13.8896      1.00000
     35     -13.7554      1.00000
     36     -13.7353      1.00000
     37     -13.5511      1.00000
     38     -13.5024      1.00000
     39     -13.2991      1.00000
     40     -12.5636      1.00000
     41     -12.1250      1.00000
     42     -12.0653      1.00000
     43     -12.0095      1.00000
     44     -11.9507      1.00000
     45     -11.6107      1.00000
     46     -11.5875      1.00000
     47     -11.0853      1.00000
     48     -11.0513      1.00000
     49     -10.7536      1.00000
     50     -10.6632      1.00000
     51     -10.5279      1.00000
     52     -10.1483      1.00000
     53     -10.1378      1.00000
     54     -10.0953      1.00000
     55      -9.9525      1.00000
     56      -9.9473      1.00000
     57      -9.9165      1.00000
     58      -9.7373      1.00000
     59      -9.7307      1.00000
     60      -9.7002      1.00000
     61      -9.6903      1.00000
     62      -9.4308      1.00000
     63      -9.3627      1.00000
     64      -9.0880      1.00000
     65      -9.0064      1.00000
     66      -8.9740      1.00000
     67      -8.8874      1.00000
     68      -8.8104      1.00000
     69      -8.6583      1.00000
     70      -8.6346      1.00000
     71      -8.5807      1.00000
     72      -8.4777      1.00000
     73      -8.4673      1.00000
     74      -8.3977      1.00000
     75      -8.3937      1.00000
     76      -8.1831      1.00000
     77      -8.1156      1.00000
     78      -7.9763      1.00000
     79      -7.9168      1.00000
     80      -7.8464      1.00000
     81      -7.6187      1.00000
     82      -7.5297      1.00000
     83      -7.4684      1.00000
     84      -7.2523      1.00000
     85      -6.9343      1.00000
     86      -6.8573      1.00000
     87      -6.8105      1.00000
     88      -6.5755      1.00000
     89      -6.4667      1.00000
     90      -6.4198      1.00000
     91      -6.3558      1.00000
     92      -6.0524      1.00000
     93      -5.8778      1.00000
     94      -5.7526      1.00000
     95      -5.7209      1.00000
     96      -5.4772      1.00000
     97      -5.3459      1.00000
     98      -5.1796      1.00000
     99      -5.1554      1.00000
    100      -5.1540      1.00000
    101      -4.7078      1.00000
    102      -4.4411      1.00000
    103      -4.2571      1.00000
    104      -3.9967      1.00000
    105      -3.8315      1.00000
    106      -3.1554      1.00000
    107      -2.4626      0.00000
    108      -1.3778      0.00000
    109      -1.2410      0.00000
    110      -1.1456      0.00000
    111      -1.1140      0.00000
    112      -0.5618      0.00000
    113      -0.4343      0.00000
    114      -0.4288      0.00000
    115      -0.3098      0.00000
    116      -0.1889      0.00000
    117       0.0622      0.00000
    118       0.1185      0.00000
    119       0.5407      0.00000
    120       0.6846      0.00000
    121       0.8729      0.00000
    122       0.9700      0.00000
    123       1.1130      0.00000
    124       1.4973      0.00000
    125       1.6640      0.00000
    126       1.8057      0.00000
    127       1.8784      0.00000
    128       2.0947      0.00000
    129       2.1395      0.00000
    130       2.1984      0.00000
    131       2.2150      0.00000
    132       2.3405      0.00000
    133       2.3626      0.00000
    134       2.4891      0.00000
    135       2.5816      0.00000
    136       2.6699      0.00000
    137       2.8800      0.00000
    138       2.9383      0.00000
    139       2.9674      0.00000
    140       2.9926      0.00000
    141       3.0426      0.00000
    142       3.1519      0.00000
    143       3.1814      0.00000
    144       3.2466      0.00000
    145       3.2921      0.00000
    146       3.3336      0.00000
    147       3.3505      0.00000
    148       3.3808      0.00000
    149       3.4159      0.00000
    150       3.4979      0.00000
    151       3.5563      0.00000
    152       3.6352      0.00000
    153       3.6957      0.00000
    154       3.7109      0.00000
    155       3.7276      0.00000
    156       3.9217      0.00000
    157       3.9363      0.00000
    158       4.0606      0.00000
    159       4.0917      0.00000
    160       4.2043      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2469      1.00000
      2     -21.8943      1.00000
      3     -21.8206      1.00000
      4     -21.3154      1.00000
      5     -21.2765      1.00000
      6     -20.7707      1.00000
      7     -20.7016      1.00000
      8     -20.5537      1.00000
      9     -20.0221      1.00000
     10     -19.9895      1.00000
     11     -19.6495      1.00000
     12     -19.6183      1.00000
     13     -18.9427      1.00000
     14     -18.9077      1.00000
     15     -18.5832      1.00000
     16     -18.5457      1.00000
     17     -18.3913      1.00000
     18     -17.6014      1.00000
     19     -17.5699      1.00000
     20     -17.5403      1.00000
     21     -17.5075      1.00000
     22     -17.0738      1.00000
     23     -17.0267      1.00000
     24     -16.8993      1.00000
     25     -15.9448      1.00000
     26     -15.8503      1.00000
     27     -15.5326      1.00000
     28     -15.5057      1.00000
     29     -15.2086      1.00000
     30     -14.8132      1.00000
     31     -14.7605      1.00000
     32     -14.5089      1.00000
     33     -14.4670      1.00000
     34     -14.0955      1.00000
     35     -14.0924      1.00000
     36     -13.1044      1.00000
     37     -13.0289      1.00000
     38     -12.9560      1.00000
     39     -12.9488      1.00000
     40     -12.6553      1.00000
     41     -12.6266      1.00000
     42     -12.2734      1.00000
     43     -12.2463      1.00000
     44     -11.5727      1.00000
     45     -11.5529      1.00000
     46     -11.4998      1.00000
     47     -10.8779      1.00000
     48     -10.8686      1.00000
     49     -10.6847      1.00000
     50     -10.5246      1.00000
     51     -10.5197      1.00000
     52     -10.4328      1.00000
     53     -10.4150      1.00000
     54     -10.3693      1.00000
     55     -10.2872      1.00000
     56     -10.0609      1.00000
     57      -9.8311      1.00000
     58      -9.5592      1.00000
     59      -9.4838      1.00000
     60      -9.4457      1.00000
     61      -9.3551      1.00000
     62      -9.3384      1.00000
     63      -9.3070      1.00000
     64      -9.3015      1.00000
     65      -9.2054      1.00000
     66      -9.0988      1.00000
     67      -9.0676      1.00000
     68      -9.0485      1.00000
     69      -8.8537      1.00000
     70      -8.7961      1.00000
     71      -8.7777      1.00000
     72      -8.5264      1.00000
     73      -8.4980      1.00000
     74      -8.2305      1.00000
     75      -8.1291      1.00000
     76      -8.0924      1.00000
     77      -7.8063      1.00000
     78      -7.7668      1.00000
     79      -7.7383      1.00000
     80      -7.7044      1.00000
     81      -7.6351      1.00000
     82      -7.6239      1.00000
     83      -7.3868      1.00000
     84      -7.3434      1.00000
     85      -7.2164      1.00000
     86      -6.8430      1.00000
     87      -6.8197      1.00000
     88      -6.6404      1.00000
     89      -6.5286      1.00000
     90      -6.3408      1.00000
     91      -6.2725      1.00000
     92      -6.1950      1.00000
     93      -6.1311      1.00000
     94      -6.0212      1.00000
     95      -5.6386      1.00000
     96      -5.5079      1.00000
     97      -5.2973      1.00000
     98      -5.1554      1.00000
     99      -5.0397      1.00000
    100      -4.7270      1.00000
    101      -4.6848      1.00000
    102      -4.3678      1.00000
    103      -4.1867      1.00000
    104      -4.0098      1.00000
    105      -3.8310      1.00000
    106      -3.4835      1.00000
    107      -2.1637      0.00000
    108      -1.3825      0.00000
    109      -1.2354      0.00000
    110      -1.1841      0.00000
    111      -1.0133      0.00000
    112      -0.9555      0.00000
    113      -0.7970      0.00000
    114      -0.7515      0.00000
    115      -0.3622      0.00000
    116       0.2453      0.00000
    117       0.2771      0.00000
    118       0.3657      0.00000
    119       0.7019      0.00000
    120       0.8694      0.00000
    121       0.9660      0.00000
    122       1.1284      0.00000
    123       1.2377      0.00000
    124       1.4573      0.00000
    125       1.5578      0.00000
    126       1.7833      0.00000
    127       1.8517      0.00000
    128       1.8840      0.00000
    129       1.9885      0.00000
    130       2.0331      0.00000
    131       2.1983      0.00000
    132       2.2137      0.00000
    133       2.4046      0.00000
    134       2.4537      0.00000
    135       2.5542      0.00000
    136       2.6586      0.00000
    137       2.6853      0.00000
    138       2.7302      0.00000
    139       2.7691      0.00000
    140       2.8573      0.00000
    141       2.9679      0.00000
    142       3.0829      0.00000
    143       3.1898      0.00000
    144       3.2424      0.00000
    145       3.2587      0.00000
    146       3.2963      0.00000
    147       3.3334      0.00000
    148       3.4848      0.00000
    149       3.5116      0.00000
    150       3.7159      0.00000
    151       3.7257      0.00000
    152       3.7705      0.00000
    153       3.8636      0.00000
    154       3.8757      0.00000
    155       3.8998      0.00000
    156       3.9983      0.00000
    157       3.9998      0.00000
    158       4.0528      0.00000
    159       4.0655      0.00000
    160       4.0948      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3189      1.00000
      2     -21.7608      1.00000
      3     -21.5670      1.00000
      4     -21.5397      1.00000
      5     -21.2043      1.00000
      6     -21.1652      1.00000
      7     -20.9849      1.00000
      8     -20.0980      1.00000
      9     -20.0589      1.00000
     10     -19.5455      1.00000
     11     -19.5254      1.00000
     12     -19.3440      1.00000
     13     -19.0274      1.00000
     14     -18.9873      1.00000
     15     -18.9767      1.00000
     16     -18.9710      1.00000
     17     -18.2952      1.00000
     18     -18.2817      1.00000
     19     -17.9455      1.00000
     20     -17.0001      1.00000
     21     -16.9589      1.00000
     22     -16.8819      1.00000
     23     -16.8689      1.00000
     24     -16.4155      1.00000
     25     -16.3924      1.00000
     26     -15.5402      1.00000
     27     -15.5367      1.00000
     28     -15.1722      1.00000
     29     -15.1707      1.00000
     30     -15.1305      1.00000
     31     -15.0356      1.00000
     32     -15.0002      1.00000
     33     -14.6328      1.00000
     34     -14.6256      1.00000
     35     -13.6624      1.00000
     36     -13.6521      1.00000
     37     -13.1704      1.00000
     38     -12.5729      1.00000
     39     -12.5125      1.00000
     40     -12.3850      1.00000
     41     -12.3844      1.00000
     42     -12.0350      1.00000
     43     -12.0306      1.00000
     44     -11.6545      1.00000
     45     -11.6139      1.00000
     46     -11.2067      1.00000
     47     -11.1565      1.00000
     48     -10.9549      1.00000
     49     -10.9416      1.00000
     50     -10.8600      1.00000
     51     -10.8274      1.00000
     52     -10.6266      1.00000
     53     -10.1475      1.00000
     54     -10.0836      1.00000
     55     -10.0245      1.00000
     56      -9.9460      1.00000
     57      -9.6310      1.00000
     58      -9.6290      1.00000
     59      -9.6025      1.00000
     60      -9.5406      1.00000
     61      -9.5024      1.00000
     62      -9.4778      1.00000
     63      -9.2732      1.00000
     64      -9.2348      1.00000
     65      -9.2067      1.00000
     66      -9.1790      1.00000
     67      -9.0615      1.00000
     68      -9.0464      1.00000
     69      -9.0427      1.00000
     70      -8.8765      1.00000
     71      -8.8081      1.00000
     72      -8.5396      1.00000
     73      -8.5327      1.00000
     74      -8.5047      1.00000
     75      -8.0306      1.00000
     76      -7.8316      1.00000
     77      -7.8020      1.00000
     78      -7.7733      1.00000
     79      -7.7026      1.00000
     80      -7.6839      1.00000
     81      -7.4107      1.00000
     82      -7.2875      1.00000
     83      -7.2510      1.00000
     84      -7.2025      1.00000
     85      -7.0822      1.00000
     86      -7.0728      1.00000
     87      -6.9373      1.00000
     88      -6.7118      1.00000
     89      -6.6739      1.00000
     90      -6.6282      1.00000
     91      -6.5564      1.00000
     92      -6.0714      1.00000
     93      -6.0310      1.00000
     94      -6.0013      1.00000
     95      -5.9361      1.00000
     96      -5.8009      1.00000
     97      -5.1831      1.00000
     98      -4.8957      1.00000
     99      -4.7934      1.00000
    100      -4.6102      1.00000
    101      -4.5119      1.00000
    102      -4.1401      1.00000
    103      -4.0926      1.00000
    104      -3.9308      1.00000
    105      -3.9163      1.00000
    106      -3.8300      1.00000
    107      -1.7512      0.00000
    108      -1.6952      0.00000
    109      -1.4095      0.00000
    110      -1.3709      0.00000
    111      -1.2639      0.00000
    112      -1.2354      0.00000
    113      -0.6208      0.00000
    114      -0.5979      0.00000
    115      -0.1901      0.00000
    116       0.0448      0.00000
    117       0.5852      0.00000
    118       0.7407      0.00000
    119       0.8509      0.00000
    120       0.9292      0.00000
    121       1.1680      0.00000
    122       1.2120      0.00000
    123       1.2480      0.00000
    124       1.4214      0.00000
    125       1.6004      0.00000
    126       1.6409      0.00000
    127       1.7060      0.00000
    128       1.8062      0.00000
    129       1.9232      0.00000
    130       1.9404      0.00000
    131       2.1513      0.00000
    132       2.1743      0.00000
    133       2.2621      0.00000
    134       2.3028      0.00000
    135       2.5440      0.00000
    136       2.5616      0.00000
    137       2.6363      0.00000
    138       2.7614      0.00000
    139       2.8110      0.00000
    140       2.8465      0.00000
    141       2.8940      0.00000
    142       2.9448      0.00000
    143       3.0175      0.00000
    144       3.0297      0.00000
    145       3.0901      0.00000
    146       3.3160      0.00000
    147       3.3701      0.00000
    148       3.4174      0.00000
    149       3.4802      0.00000
    150       3.6041      0.00000
    151       3.6567      0.00000
    152       3.6657      0.00000
    153       3.6796      0.00000
    154       3.8944      0.00000
    155       3.9816      0.00000
    156       4.0295      0.00000
    157       4.0751      0.00000
    158       4.2366      0.00000
    159       4.2573      0.00000
    160       4.2715      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1403      1.00000
      2     -22.0473      1.00000
      3     -21.8852      1.00000
      4     -21.3347      1.00000
      5     -20.9759      1.00000
      6     -20.9465      1.00000
      7     -20.4273      1.00000
      8     -20.3953      1.00000
      9     -20.2152      1.00000
     10     -20.2134      1.00000
     11     -19.8871      1.00000
     12     -19.8231      1.00000
     13     -18.8171      1.00000
     14     -18.7460      1.00000
     15     -18.2651      1.00000
     16     -18.2511      1.00000
     17     -18.0795      1.00000
     18     -18.0730      1.00000
     19     -17.7452      1.00000
     20     -17.7295      1.00000
     21     -17.1944      1.00000
     22     -17.1709      1.00000
     23     -17.0882      1.00000
     24     -17.0672      1.00000
     25     -16.0533      1.00000
     26     -15.8077      1.00000
     27     -15.7983      1.00000
     28     -15.7771      1.00000
     29     -15.1587      1.00000
     30     -14.4851      1.00000
     31     -14.4636      1.00000
     32     -14.2037      1.00000
     33     -13.9163      1.00000
     34     -13.8859      1.00000
     35     -13.7587      1.00000
     36     -13.7380      1.00000
     37     -13.5358      1.00000
     38     -13.5098      1.00000
     39     -13.3006      1.00000
     40     -12.5761      1.00000
     41     -12.1008      1.00000
     42     -12.0766      1.00000
     43     -11.9981      1.00000
     44     -11.9501      1.00000
     45     -11.6055      1.00000
     46     -11.5975      1.00000
     47     -11.0846      1.00000
     48     -11.0607      1.00000
     49     -10.7322      1.00000
     50     -10.6637      1.00000
     51     -10.5618      1.00000
     52     -10.1393      1.00000
     53     -10.1346      1.00000
     54     -10.1000      1.00000
     55      -9.9658      1.00000
     56      -9.9247      1.00000
     57      -9.9206      1.00000
     58      -9.7508      1.00000
     59      -9.7286      1.00000
     60      -9.6969      1.00000
     61      -9.6944      1.00000
     62      -9.4022      1.00000
     63      -9.3888      1.00000
     64      -9.0705      1.00000
     65      -8.9817      1.00000
     66      -8.9809      1.00000
     67      -8.9060      1.00000
     68      -8.8112      1.00000
     69      -8.6499      1.00000
     70      -8.6334      1.00000
     71      -8.5512      1.00000
     72      -8.5018      1.00000
     73      -8.4821      1.00000
     74      -8.3940      1.00000
     75      -8.3817      1.00000
     76      -8.2096      1.00000
     77      -8.1030      1.00000
     78      -8.0068      1.00000
     79      -7.9022      1.00000
     80      -7.8440      1.00000
     81      -7.6215      1.00000
     82      -7.5328      1.00000
     83      -7.4561      1.00000
     84      -7.2494      1.00000
     85      -6.9425      1.00000
     86      -6.8687      1.00000
     87      -6.8091      1.00000
     88      -6.4773      1.00000
     89      -6.4687      1.00000
     90      -6.4085      1.00000
     91      -6.3593      1.00000
     92      -6.1935      1.00000
     93      -5.8576      1.00000
     94      -5.7369      1.00000
     95      -5.7106      1.00000
     96      -5.5245      1.00000
     97      -5.3284      1.00000
     98      -5.1718      1.00000
     99      -5.1669      1.00000
    100      -5.1334      1.00000
    101      -4.6955      1.00000
    102      -4.3482      1.00000
    103      -4.2830      1.00000
    104      -4.0301      1.00000
    105      -3.8325      1.00000
    106      -3.2327      1.00000
    107      -2.4044      0.00000
    108      -1.3442      0.00000
    109      -1.2434      0.00000
    110      -1.1527      0.00000
    111      -1.1080      0.00000
    112      -0.5807      0.00000
    113      -0.5216      0.00000
    114      -0.4334      0.00000
    115      -0.2747      0.00000
    116      -0.0681      0.00000
    117      -0.0098      0.00000
    118       0.0603      0.00000
    119       0.5832      0.00000
    120       0.7113      0.00000
    121       0.8114      0.00000
    122       0.9461      0.00000
    123       1.1852      0.00000
    124       1.5116      0.00000
    125       1.6221      0.00000
    126       1.8617      0.00000
    127       2.0064      0.00000
    128       2.0521      0.00000
    129       2.1152      0.00000
    130       2.1533      0.00000
    131       2.2636      0.00000
    132       2.2865      0.00000
    133       2.3487      0.00000
    134       2.4629      0.00000
    135       2.6109      0.00000
    136       2.7023      0.00000
    137       2.8212      0.00000
    138       2.9152      0.00000
    139       2.9431      0.00000
    140       3.0154      0.00000
    141       3.0496      0.00000
    142       3.1583      0.00000
    143       3.1632      0.00000
    144       3.2251      0.00000
    145       3.3001      0.00000
    146       3.3124      0.00000
    147       3.3538      0.00000
    148       3.3744      0.00000
    149       3.4181      0.00000
    150       3.4527      0.00000
    151       3.5654      0.00000
    152       3.6149      0.00000
    153       3.7023      0.00000
    154       3.7272      0.00000
    155       3.8495      0.00000
    156       3.9055      0.00000
    157       3.9332      0.00000
    158       3.9622      0.00000
    159       4.1491      0.00000
    160       4.1835      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2129      1.00000
      2     -22.0076      1.00000
      3     -21.6457      1.00000
      4     -21.6143      1.00000
      5     -20.9093      1.00000
      6     -20.8684      1.00000
      7     -20.5387      1.00000
      8     -20.5059      1.00000
      9     -20.4991      1.00000
     10     -19.9618      1.00000
     11     -19.4403      1.00000
     12     -19.4183      1.00000
     13     -19.2393      1.00000
     14     -19.2322      1.00000
     15     -18.3757      1.00000
     16     -18.3404      1.00000
     17     -17.8583      1.00000
     18     -17.8422      1.00000
     19     -17.6909      1.00000
     20     -17.6548      1.00000
     21     -17.3718      1.00000
     22     -17.3574      1.00000
     23     -17.2668      1.00000
     24     -16.4131      1.00000
     25     -16.3892      1.00000
     26     -15.9041      1.00000
     27     -15.3431      1.00000
     28     -15.3380      1.00000
     29     -15.0307      1.00000
     30     -15.0207      1.00000
     31     -14.7760      1.00000
     32     -14.7737      1.00000
     33     -14.2373      1.00000
     34     -14.1864      1.00000
     35     -13.3875      1.00000
     36     -13.3328      1.00000
     37     -13.1109      1.00000
     38     -13.1025      1.00000
     39     -12.9174      1.00000
     40     -12.9116      1.00000
     41     -12.5452      1.00000
     42     -12.5371      1.00000
     43     -12.1331      1.00000
     44     -11.5135      1.00000
     45     -11.4688      1.00000
     46     -11.2442      1.00000
     47     -11.2125      1.00000
     48     -11.0864      1.00000
     49     -10.7088      1.00000
     50     -10.5952      1.00000
     51     -10.5092      1.00000
     52     -10.2511      1.00000
     53     -10.2468      1.00000
     54     -10.1213      1.00000
     55     -10.0539      1.00000
     56     -10.0384      1.00000
     57      -9.7858      1.00000
     58      -9.6865      1.00000
     59      -9.6728      1.00000
     60      -9.6372      1.00000
     61      -9.6275      1.00000
     62      -9.5849      1.00000
     63      -9.2957      1.00000
     64      -9.2830      1.00000
     65      -9.2526      1.00000
     66      -9.0683      1.00000
     67      -8.8945      1.00000
     68      -8.8833      1.00000
     69      -8.7179      1.00000
     70      -8.5839      1.00000
     71      -8.5258      1.00000
     72      -8.3508      1.00000
     73      -8.3044      1.00000
     74      -8.2430      1.00000
     75      -8.2375      1.00000
     76      -8.1943      1.00000
     77      -8.1809      1.00000
     78      -8.1690      1.00000
     79      -8.1127      1.00000
     80      -7.6902      1.00000
     81      -7.4156      1.00000
     82      -7.3437      1.00000
     83      -7.2573      1.00000
     84      -7.1683      1.00000
     85      -7.1099      1.00000
     86      -7.0027      1.00000
     87      -6.9034      1.00000
     88      -6.8463      1.00000
     89      -6.5415      1.00000
     90      -6.4982      1.00000
     91      -6.2156      1.00000
     92      -6.2012      1.00000
     93      -5.8940      1.00000
     94      -5.6734      1.00000
     95      -5.6089      1.00000
     96      -5.5798      1.00000
     97      -5.2528      1.00000
     98      -5.2307      1.00000
     99      -5.1643      1.00000
    100      -5.1339      1.00000
    101      -4.5996      1.00000
    102      -4.2528      1.00000
    103      -4.0465      1.00000
    104      -3.8838      1.00000
    105      -3.8441      1.00000
    106      -3.8011      1.00000
    107      -1.8073      0.00000
    108      -1.7797      0.00000
    109      -1.2238      0.00000
    110      -1.1754      0.00000
    111      -0.9735      0.00000
    112      -0.7334      0.00000
    113      -0.6501      0.00000
    114      -0.5934      0.00000
    115      -0.5492      0.00000
    116      -0.1482      0.00000
    117       0.1765      0.00000
    118       0.2885      0.00000
    119       0.7068      0.00000
    120       0.9509      0.00000
    121       1.1685      0.00000
    122       1.2787      0.00000
    123       1.3486      0.00000
    124       1.5137      0.00000
    125       1.6092      0.00000
    126       1.6285      0.00000
    127       1.6926      0.00000
    128       1.7751      0.00000
    129       1.8636      0.00000
    130       2.0797      0.00000
    131       2.1684      0.00000
    132       2.3189      0.00000
    133       2.3955      0.00000
    134       2.4242      0.00000
    135       2.5582      0.00000
    136       2.6256      0.00000
    137       2.6873      0.00000
    138       2.7468      0.00000
    139       2.8175      0.00000
    140       2.9092      0.00000
    141       3.0528      0.00000
    142       3.0624      0.00000
    143       3.1851      0.00000
    144       3.2827      0.00000
    145       3.3803      0.00000
    146       3.4158      0.00000
    147       3.4619      0.00000
    148       3.5453      0.00000
    149       3.5745      0.00000
    150       3.6351      0.00000
    151       3.6651      0.00000
    152       3.7017      0.00000
    153       3.7886      0.00000
    154       3.8002      0.00000
    155       3.8264      0.00000
    156       3.8955      0.00000
    157       3.9094      0.00000
    158       3.9827      0.00000
    159       4.1903      0.00000
    160       4.2361      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0400   -7.2576    3.9852   -1.1337   -0.1859   17.3778    0.4876   -0.8140    0.7720   -0.4785
x    -3.1240   -0.0256   -0.0216   -0.0249    0.0901   -3.0534    0.0301   -0.0244    0.0085    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   204.0400    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    0.0618    0.0186
y     0.0234   -3.2427   -0.1782    0.1696   -2.4149   -0.6649
z   204.0400    1.7471    0.2950    0.0872    0.0010    0.0707   -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    0.0987    0.0006   -0.0010   -0.0001   -0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0012   -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  -16.5931
z     0.1409    0.2359   -0.0281    0.0577   -0.0951    0.0006
 total charge-density along one line
x   212.0000  -10.0888    5.9321   -1.9427   -0.4215   19.2971   -0.6618    0.2081    0.0674   -0.1084
x    -2.7038   -0.0094    0.0006   -0.0435    0.0956   -2.3446    0.0476   -0.0345    0.0119    0.0025
x    -0.0856   -0.0053    0.0082   -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  -10.0888    5.9321   -1.9427   -0.4215   19.2971   -0.6618    0.2081    0.0674   -0.1084
y    -2.7038   -0.0094    0.0006   -0.0435    0.0956   -2.3446    0.0476   -0.0345    0.0119    0.0025
y    -0.0856   -0.0053    0.0082   -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 -205.3399  188.9523 -170.2180  154.0230 -140.2241  126.2656 -110.7993   94.5727  -78.9533
z    64.6280  -51.7188   40.4783  -31.3881   24.6218  -19.6847   15.7189  -12.1262    8.8618   -6.1892
z     4.2559   -2.9246    1.9364   -1.1387    0.5325   -0.1482   -0.0646    0.2139   -0.3662    0.4998
z    -0.5562    0.5196   -0.4366    0.3675   -0.3341    0.3152   -0.2838    0.2366   -0.1899    0.1566
z    -0.1346    0.1145   -0.0922    0.0716   -0.0576    0.0499   -0.0441    0.0370   -0.0296    0.0239
z    -0.0207    0.0185   -0.0159    0.0129   -0.0103    0.0084   -0.0068    0.0053   -0.0039    0.0028
z    -0.0020    0.0012   -0.0004   -0.0002    0.0004   -0.0004    0.0004   -0.0006    0.0007   -0.0007
z     0.0004   -0.0002    0.0001    0.0000    0.0000    0.0001   -0.0002    0.0003   -0.0003    0.0003
z    -0.0003    0.0002   -0.0002    0.0001   -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0000   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.941   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  -0.026   0.000   0.002   0.021   0.000   0.057   0.000  -0.014  -0.025   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   0.258   0.000   0.000   0.000   0.160   0.000   0.106  -0.035
 -0.026   0.000   1.788   0.000   0.018   0.043   0.000   0.357   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   0.258   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   0.190  -0.052   0.000   0.115   0.000   0.000
  0.000   0.594   0.000   0.258   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   0.357   0.000  -0.035   0.101   0.000   0.569   0.000  -0.057   0.705  -0.295   0.000   0.088   0.000   0.000
  0.000   0.258   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   0.003  -0.024   0.000  -0.057   0.000   0.036  -0.108   0.030   0.000  -0.068   0.000   0.000
 -0.025   0.000  -0.233   0.000   0.010   0.190   0.000   0.705   0.000  -0.108   1.351  -0.433   0.000   0.265   0.000   0.000
  0.025   0.000  -0.044   0.000  -0.015  -0.052   0.000  -0.295   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   0.011  -0.004
 -0.001   0.000   0.096   0.000   0.003   0.115   0.000   0.088   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   0.011   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  -0.036   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  -0.040   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   8.944
  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   1.783   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   2.646
 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   1.773   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   2.645
 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   1.773   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   2.646
 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       44.831  89.434   8.027 142.292
 


 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  112.94: CPU time   57.14
    FORLOC:  VPU time    1.24: CPU time    1.25
    FORNL :  VPU time  439.20: CPU time  220.61
    STRESS:  VPU time 1344.03: CPU time  677.38
    FORCOR:  VPU time    8.65: CPU time    8.65
    FORHAR:  VPU time    2.29: CPU time    2.29
    MIXING:  VPU time    0.16: CPU time    0.16
 d Force = 0.1161143E-05[ 0.107E-05, 0.125E-05]  d Energy = 0.1525716E-05-0.365E-06
 d Force = 0.2948674E-01[ 0.295E-01, 0.295E-01]  d Ewald  =-0.3465513E-01 0.641E-01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.644918 eV

  energy  without entropy=     -471.644918  energy(sigma->0) =     -471.644918
 

  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    40725.44  40741.22 -47424.39     13.67      0.00      0.00
  Hartree  40191.95  40195.04 -39444.54      2.68      0.00      0.00
  E(xc)     -779.74   -779.55   -807.26      0.17      0.00      0.00
  Local   -83210.66 -83223.45  84186.45    -11.08      0.00      0.00
  n-local   -215.77   -215.65   -203.80     -0.15      0.00      0.00
  augment     22.10     20.54     17.34     -1.35      0.00      0.00
  Kinetic   3168.72   3171.44   3582.07     -6.10      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.26     -0.24     -0.19      0.02      0.00      0.00
  in kB       -0.16     -0.15     -0.12      0.01      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
    12.347686813  0.001556351  0.000000000     0.080980938  0.046740826  0.000000000
    -6.172502210 10.694184456  0.000000000    -0.000011785  0.093501964  0.000000000
     0.000000000  0.000000000 19.976532093     0.000000000  0.000000000  0.050058739

  length of vectors
    12.347686911 12.347686613 19.976532093     0.093501963  0.093501965  0.050058739


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.497E-05 -.454E-04 -.961E+03   0.436E-05 -.275E-04 0.969E+03   0.137E-23 0.137E-23 -.783E+01   0.280E-07 -.165E-07 -.483E-03
   -.175E+02 -.303E+02 -.136E+03   0.183E+02 0.318E+02 0.139E+03   -.827E+00 -.143E+01 -.258E+01   -.169E-04 -.304E-04 0.211E-04
   0.175E+02 0.303E+02 -.136E+03   -.183E+02 -.318E+02 0.139E+03   0.827E+00 0.143E+01 -.258E+01   0.169E-04 0.304E-04 0.211E-04
   -.196E+01 0.113E+01 0.178E+02   0.197E+01 -.114E+01 -.178E+02   -.854E-02 0.493E-02 -.346E-02   0.313E-03 -.183E-03 0.457E-04
   0.578E+01 0.689E+01 0.203E+02   -.579E+01 -.692E+01 -.203E+02   0.621E-02 0.328E-01 -.205E-01   0.435E-03 -.236E-03 0.595E-04
   0.112E+02 0.504E+01 0.186E+02   -.113E+02 -.505E+01 -.185E+02   0.232E-01 0.967E-02 -.545E-01   0.367E-03 -.914E-04 0.107E-05
   0.453E+01 -.102E+01 0.163E+02   -.455E+01 0.104E+01 -.163E+02   0.193E-01 -.166E-01 -.200E-02   0.339E-03 -.216E-03 0.299E-04
   -.292E+01 -.239E+01 0.154E+02   0.294E+01 0.240E+01 -.154E+02   -.142E-01 -.146E-01 0.289E-02   0.327E-03 -.280E-03 -.710E-05
   0.607E+00 0.373E+01 0.154E+02   -.613E+00 -.375E+01 -.154E+02   0.556E-02 0.196E-01 0.289E-02   0.401E-03 -.149E-03 -.109E-04
   0.274E+01 0.182E+02 0.249E+02   -.275E+01 -.183E+02 -.249E+02   0.105E-01 0.111E+00 -.650E-02   0.348E-03 -.664E-04 -.146E-04
   0.214E+02 0.226E+02 0.397E+02   -.216E+02 -.229E+02 -.396E+02   0.117E+00 0.227E+00 -.157E-01   0.265E-03 -.332E-03 -.108E-03
   0.265E+02 -.450E+01 0.265E+02   -.268E+02 0.462E+01 -.264E+02   0.237E+00 -.119E+00 -.570E-01   0.310E-03 -.267E-03 0.693E-04
   0.916E+01 -.529E+01 0.155E+02   -.917E+01 0.530E+01 -.155E+02   0.180E-01 -.104E-01 0.521E-02   0.454E-03 -.268E-03 0.304E-04
   0.314E+01 -.341E+01 0.163E+02   -.317E+01 0.342E+01 -.163E+02   0.241E-01 -.841E-02 -.200E-02   0.354E-03 -.190E-03 0.213E-04
   -.605E+01 0.132E+02 0.199E+02   0.605E+01 -.132E+02 -.199E+02   -.596E-02 0.759E-01 -.108E-01   0.303E-03 -.168E-03 0.217E-04
   -.123E+02 0.335E+02 0.454E+02   0.124E+02 -.342E+02 -.457E+02   -.900E-01 0.681E+00 0.349E+00   0.461E-03 -.311E-03 0.420E-04
   0.265E+02 -.153E+02 0.687E+02   -.275E+02 0.159E+02 -.708E+02   0.979E+00 -.565E+00 0.210E+01   0.250E-03 -.147E-03 0.252E-03
   0.172E+02 -.207E+02 0.265E+02   -.174E+02 0.209E+02 -.264E+02   0.222E+00 -.145E+00 -.570E-01   0.384E-03 -.142E-03 0.643E-04
   0.126E+01 -.123E+02 0.186E+02   -.126E+01 0.123E+02 -.185E+02   0.324E-02 -.250E-01 -.545E-01   0.266E-03 -.274E-03 -.456E-05
   -.387E+01 0.156E+01 0.145E+02   0.388E+01 -.156E+01 -.144E+02   -.641E-02 0.259E-02 -.423E-01   0.274E-03 -.244E-03 0.191E-04
   -.182E+02 0.105E+02 0.206E+02   0.183E+02 -.106E+02 -.204E+02   -.640E-01 0.369E-01 -.129E+00   0.396E-03 -.225E-03 0.388E-04
   -.352E+02 -.612E+01 0.454E+02   0.358E+02 0.638E+01 -.457E+02   -.634E+00 -.262E+00 0.349E+00   0.503E-03 -.245E-03 0.452E-04
   -.888E+01 -.299E+02 0.397E+02   0.902E+01 0.301E+02 -.396E+02   -.139E+00 -.215E+00 -.157E-01   0.423E-03 -.683E-04 -.110E-03
   -.307E+01 -.845E+01 0.203E+02   0.310E+01 0.848E+01 -.203E+02   -.253E-01 -.218E-01 -.205E-01   0.424E-03 -.260E-03 0.587E-04
   0.127E+01 -.730E+00 0.155E+02   -.126E+01 0.730E+00 -.154E+02   -.150E-02 0.866E-03 -.271E-01   0.387E-03 -.222E-03 -.237E-04
   -.329E+01 0.257E+01 0.145E+02   0.329E+01 -.258E+01 -.144E+02   -.545E-02 0.426E-02 -.423E-01   0.351E-03 -.111E-03 0.240E-04
   -.144E+02 -.135E+01 0.199E+02   0.145E+02 0.138E+01 -.199E+02   -.687E-01 -.328E-01 -.108E-01   0.299E-03 -.180E-03 0.295E-04
   -.144E+02 -.114E+02 0.249E+02   0.144E+02 0.115E+02 -.249E+02   -.909E-01 -.646E-01 -.650E-02   0.233E-03 -.273E-03 -.117E-04
   0.307E+01 0.845E+01 0.203E+02   -.310E+01 -.848E+01 -.203E+02   0.253E-01 0.218E-01 -.205E-01   -.424E-03 0.260E-03 0.587E-04
   0.144E+02 0.114E+02 0.249E+02   -.144E+02 -.115E+02 -.249E+02   0.909E-01 0.646E-01 -.650E-02   -.233E-03 0.273E-03 -.117E-04
   0.144E+02 0.135E+01 0.199E+02   -.145E+02 -.138E+01 -.199E+02   0.687E-01 0.328E-01 -.108E-01   -.299E-03 0.180E-03 0.295E-04
   0.329E+01 -.257E+01 0.145E+02   -.329E+01 0.258E+01 -.144E+02   0.545E-02 -.426E-02 -.423E-01   -.351E-03 0.111E-03 0.240E-04
   -.127E+01 0.730E+00 0.155E+02   0.126E+01 -.729E+00 -.154E+02   0.150E-02 -.866E-03 -.271E-01   -.387E-03 0.222E-03 -.237E-04
   -.126E+01 0.123E+02 0.186E+02   0.126E+01 -.123E+02 -.185E+02   -.324E-02 0.250E-01 -.545E-01   -.266E-03 0.274E-03 -.456E-05
   0.888E+01 0.299E+02 0.397E+02   -.902E+01 -.301E+02 -.396E+02   0.139E+00 0.215E+00 -.157E-01   -.423E-03 0.683E-04 -.110E-03
   0.352E+02 0.612E+01 0.454E+02   -.358E+02 -.638E+01 -.457E+02   0.634E+00 0.262E+00 0.349E+00   -.503E-03 0.245E-03 0.452E-04
   0.182E+02 -.105E+02 0.206E+02   -.183E+02 0.106E+02 -.204E+02   0.640E-01 -.369E-01 -.129E+00   -.396E-03 0.225E-03 0.388E-04
   0.387E+01 -.156E+01 0.145E+02   -.388E+01 0.156E+01 -.144E+02   0.641E-02 -.259E-02 -.423E-01   -.274E-03 0.244E-03 0.191E-04
   -.314E+01 0.341E+01 0.163E+02   0.317E+01 -.342E+01 -.163E+02   -.241E-01 0.841E-02 -.200E-02   -.354E-03 0.190E-03 0.213E-04
   -.172E+02 0.207E+02 0.265E+02   0.174E+02 -.209E+02 -.264E+02   -.222E+00 0.145E+00 -.570E-01   -.384E-03 0.142E-03 0.643E-04
   -.265E+02 0.153E+02 0.687E+02   0.275E+02 -.159E+02 -.708E+02   -.979E+00 0.565E+00 0.210E+01   -.250E-03 0.147E-03 0.252E-03
   0.123E+02 -.335E+02 0.454E+02   -.124E+02 0.342E+02 -.457E+02   0.900E-01 -.681E+00 0.349E+00   -.461E-03 0.311E-03 0.420E-04
   0.605E+01 -.132E+02 0.199E+02   -.605E+01 0.132E+02 -.199E+02   0.596E-02 -.759E-01 -.108E-01   -.303E-03 0.168E-03 0.217E-04
   -.607E+00 -.373E+01 0.154E+02   0.613E+00 0.375E+01 -.154E+02   -.556E-02 -.196E-01 0.289E-02   -.401E-03 0.149E-03 -.109E-04
   -.916E+01 0.529E+01 0.155E+02   0.917E+01 -.530E+01 -.155E+02   -.180E-01 0.104E-01 0.521E-02   -.454E-03 0.268E-03 0.304E-04
   -.265E+02 0.450E+01 0.265E+02   0.268E+02 -.462E+01 -.264E+02   -.237E+00 0.119E+00 -.570E-01   -.310E-03 0.267E-03 0.693E-04
   -.214E+02 -.226E+02 0.397E+02   0.216E+02 0.229E+02 -.396E+02   -.117E+00 -.227E+00 -.157E-01   -.265E-03 0.332E-03 -.108E-03
   -.274E+01 -.182E+02 0.249E+02   0.275E+01 0.183E+02 -.249E+02   -.105E-01 -.111E+00 -.650E-02   -.348E-03 0.664E-04 -.146E-04
   0.196E+01 -.113E+01 0.178E+02   -.197E+01 0.114E+01 -.178E+02   0.854E-02 -.493E-02 -.346E-02   -.313E-03 0.183E-03 0.457E-04
   0.292E+01 0.239E+01 0.154E+02   -.294E+01 -.240E+01 -.154E+02   0.142E-01 0.146E-01 0.289E-02   -.327E-03 0.280E-03 -.710E-05
   -.453E+01 0.102E+01 0.163E+02   0.455E+01 -.104E+01 -.163E+02   -.193E-01 0.166E-01 -.200E-02   -.339E-03 0.216E-03 0.299E-04
   -.112E+02 -.504E+01 0.186E+02   0.113E+02 0.505E+01 -.185E+02   -.232E-01 -.967E-02 -.545E-01   -.367E-03 0.914E-04 0.107E-05
   -.578E+01 -.689E+01 0.203E+02   0.579E+01 0.692E+01 -.203E+02   -.621E-02 -.328E-01 -.205E-01   -.435E-03 0.236E-03 0.595E-04
 -----------------------------------------------------------------------------------------------
   -.183E-02 0.314E-03 0.854E+01   -.711E-14 0.142E-13 0.135E-12   -.326E-15 0.139E-15 -.853E+01   0.267E-07 -.163E-07 0.683E-03
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85291      6.06071     12.31849         0.000000      0.000000      0.011873
      2.25915      6.76433     13.63910         0.007827      0.013556      0.013261
      1.44668      5.35709     13.63910        -0.007827     -0.013556      0.013261
      0.00053     -0.00031      9.93635         0.000935     -0.000540     -0.001982
     11.11241      2.13927      9.93893         0.000515     -0.002111     -0.003881
      9.87692      4.27875      9.95271        -0.002476      0.001096     -0.000078
      8.64349      6.41807      9.95308        -0.000971      0.001237     -0.000808
     -4.93642      8.55543      9.94632         0.000400     -0.000292      0.000843
      2.47026     -0.00110      9.94632         0.000453     -0.000200      0.000843
      1.23471      2.13609      9.95217         0.001329      0.002766     -0.000191
     -0.00398      4.27493      9.98302         0.000552     -0.003542      0.002528
     -1.23850      6.41594      9.99020        -0.000044     -0.000853     -0.000345
     -2.46724      8.55495      9.96116         0.001409     -0.000813     -0.000429
      4.93872      0.00122      9.95308        -0.001557      0.000223     -0.000808
      3.70491      2.13645      9.96147        -0.001260      0.001728     -0.000927
      2.47072      4.26295     10.02870         0.002501      0.000640     -0.001039
      1.22828      6.42135     10.10208         0.003999     -0.002309     -0.008936
     -0.00043      8.56034      9.99020         0.000717      0.000465     -0.000345
      7.40815      0.00270      9.95271        -0.002188      0.001596     -0.000078
      6.17352      2.13999      9.95336         0.000252     -0.000793     -0.001022
      4.94041      4.27815      9.98413         0.001445     -0.000834      0.000034
      3.71872      6.42456     10.02870         0.000696     -0.002486     -0.001039
      2.47100      8.56172      9.98302         0.003343      0.001293      0.002528
      9.87873      0.00248      9.93893         0.002085      0.000609     -0.003881
      8.64284      2.14055      9.94152         0.000401     -0.000231      0.001952
      7.40866      4.27932      9.95336         0.000813      0.000178     -0.001022
      6.17742      6.41897      9.96147        -0.002126      0.000228     -0.000927
      4.94263      8.55840      9.95217        -0.001731     -0.002534     -0.000191
     -0.00040      1.42476      9.93893        -0.002085     -0.000609     -0.003881
     -1.23680      3.56302      9.95217         0.001731      0.002534     -0.000191
     -2.47160      5.70246      9.96147         0.002126     -0.000228     -0.000927
     -3.70284      7.84210      9.95336        -0.000813     -0.000178     -0.001022
     -4.93702      9.98088      9.94152        -0.000401      0.000231      0.001952
      2.47018      1.42454      9.95271         0.002188     -0.001596     -0.000078
      1.23482      3.55971      9.98302        -0.003343     -0.001293      0.002528
     -0.01289      5.69687     10.02870        -0.000696      0.002486     -0.001039
     -1.23459      7.84328      9.98413        -0.001445      0.000834      0.000034
     -2.46770      9.98143      9.95336        -0.000252      0.000793     -0.001022
      4.93961      1.42602      9.95308         0.001557     -0.000223     -0.000808
      3.70626      3.56109      9.99020        -0.000717     -0.000465     -0.000345
      2.47755      5.70008     10.10208        -0.003999      0.002309     -0.008936
      1.23511      7.85847     10.02870        -0.002501     -0.000640     -0.001039
      0.00091      9.98497      9.96147         0.001260     -0.001728     -0.000927
      7.40807      1.42834      9.94632        -0.000453      0.000200      0.000843
      6.17307      3.56647      9.96116        -0.001409      0.000813     -0.000429
      4.94432      5.70548      9.99020         0.000044      0.000853     -0.000345
      3.70980      7.84650      9.98302        -0.000552      0.003542      0.002528
      2.47112      9.98533      9.95217        -0.001329     -0.002766     -0.000191
      9.87780      1.42755      9.93635        -0.000935      0.000540     -0.001982
      8.64224      3.56600      9.94632        -0.000400      0.000292      0.000843
      7.41002      5.70491      9.95308         0.000971     -0.001237     -0.000808
      6.17659      7.84423      9.95271         0.002476     -0.001096     -0.000078
      4.94111      9.98371      9.93893        -0.000515      0.002111     -0.003881
 -----------------------------------------------------------------------------------
    total drift:                               -0.001833      0.000314      0.011027


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




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


    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  185.94: CPU time   93.17
     LOOP+:  VPU time 4944.73: CPU time 2542.08


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


    POTLOK:  VPU time    9.18: CPU time    9.16
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1317.35: CPU time  680.80
 BZINTS: Fermi energy: -3.151872;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  112.81: CPU time   57.09
    MIXING:  VPU time    0.14: CPU time    0.14
    ------------------------------------------
      LOOP:  VPU time 1439.88: CPU time  747.56

 eigenvalue-minimisations  :  3808
 total energy-change (2. order) :-0.4716449E+03  (-0.4832785E-06)
 number of electron  212.0000066 magnetization    0.0000000
 augmentation part     7.9600238 magnetization   -0.0000001

 Broyden mixing:
  rms(total) = 0.11973E-03    rms(broyden)= 0.11970E-03
  rms(prec ) = 0.12770E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34042.30769321
  -1/2 Hartree   DENC   =    -40942.45396660
  -V(xc)+E(xc)   XCENC  =       726.60651684
  PAW double counting   =      4092.79943653    -4131.18469464
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.15975708
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64491815 eV

  energy without entropy =     -471.64491815  energy(sigma->0) =     -471.64491815


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




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


    POTLOK:  VPU time    9.08: CPU time    9.08
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1313.56: CPU time  681.11
 BZINTS: Fermi energy: -3.151694;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1323.04: CPU time  690.56

 eigenvalue-minimisations  :  3800
 total energy-change (2. order) :-0.9533142E-07  (-0.5805051E-07)
 number of electron  212.0000066 magnetization    0.0000000
 augmentation part     7.9600238 magnetization   -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34042.30769321
  -1/2 Hartree   DENC   =    -40942.45599583
  -V(xc)+E(xc)   XCENC  =       726.60657144
  PAW double counting   =      4092.80129219    -4131.18654511
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.15778773
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64491824 eV

  energy without entropy =     -471.64491824  energy(sigma->0) =     -471.64491824


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




 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 -58.5422       2 -39.9893       3 -39.9893       4 -58.2439       5 -58.2484
       6 -58.2555       7 -58.2464       8 -58.2446       9 -58.2446      10 -58.2605
      11 -58.3151      12 -58.2920      13 -58.2496      14 -58.2464      15 -58.2574
      16 -58.4377      17 -58.7318      18 -58.2920      19 -58.2555      20 -58.2500
      21 -58.2771      22 -58.4377      23 -58.3151      24 -58.2484      25 -58.2433
      26 -58.2500      27 -58.2574      28 -58.2605      29 -58.2483      30 -58.2604
      31 -58.2573      32 -58.2499      33 -58.2432      34 -58.2554      35 -58.3150
      36 -58.4376      37 -58.2770      38 -58.2499      39 -58.2463      40 -58.2919
      41 -58.7317      42 -58.4376      43 -58.2573      44 -58.2445      45 -58.2495
      46 -58.2919      47 -58.3150      48 -58.2604      49 -58.2438      50 -58.2445
      51 -58.2463      52 -58.2555      53 -58.2483
 
 
 
 E-fermi :  -3.1517     XC(G=0):  -2.3410     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3555      1.00000
      2     -21.5361      1.00000
      3     -21.4061      1.00000
      4     -21.4051      1.00000
      5     -21.3739      1.00000
      6     -21.3647      1.00000
      7     -21.3574      1.00000
      8     -19.6457      1.00000
      9     -19.5713      1.00000
     10     -19.5642      1.00000
     11     -19.5578      1.00000
     12     -19.5393      1.00000
     13     -19.5364      1.00000
     14     -18.7275      1.00000
     15     -18.6789      1.00000
     16     -18.6713      1.00000
     17     -18.6577      1.00000
     18     -18.6422      1.00000
     19     -18.6405      1.00000
     20     -16.5858      1.00000
     21     -16.5260      1.00000
     22     -16.5233      1.00000
     23     -16.5102      1.00000
     24     -16.4861      1.00000
     25     -16.4841      1.00000
     26     -15.5579      1.00000
     27     -15.5255      1.00000
     28     -15.5247      1.00000
     29     -15.4990      1.00000
     30     -15.4938      1.00000
     31     -15.4881      1.00000
     32     -14.2061      1.00000
     33     -14.1797      1.00000
     34     -14.1664      1.00000
     35     -14.1642      1.00000
     36     -14.1591      1.00000
     37     -14.1478      1.00000
     38     -11.8848      1.00000
     39     -11.8075      1.00000
     40     -11.7917      1.00000
     41     -11.7913      1.00000
     42     -11.7881      1.00000
     43     -11.7825      1.00000
     44     -11.7040      1.00000
     45     -11.6974      1.00000
     46     -11.6720      1.00000
     47     -11.6568      1.00000
     48     -11.6567      1.00000
     49     -11.6497      1.00000
     50     -10.6758      1.00000
     51     -10.3285      1.00000
     52     -10.3207      1.00000
     53     -10.3049      1.00000
     54     -10.3033      1.00000
     55     -10.2902      1.00000
     56     -10.2771      1.00000
     57      -9.9297      1.00000
     58      -9.3725      1.00000
     59      -9.3585      1.00000
     60      -9.2994      1.00000
     61      -9.2911      1.00000
     62      -9.2842      1.00000
     63      -9.0923      1.00000
     64      -9.0540      1.00000
     65      -9.0488      1.00000
     66      -9.0263      1.00000
     67      -9.0063      1.00000
     68      -9.0011      1.00000
     69      -8.9998      1.00000
     70      -8.9941      1.00000
     71      -8.9913      1.00000
     72      -8.9720      1.00000
     73      -8.9640      1.00000
     74      -8.9531      1.00000
     75      -8.5083      1.00000
     76      -7.5126      1.00000
     77      -7.4104      1.00000
     78      -7.4103      1.00000
     79      -7.4012      1.00000
     80      -7.3833      1.00000
     81      -7.3635      1.00000
     82      -7.3409      1.00000
     83      -7.3076      1.00000
     84      -7.2693      1.00000
     85      -7.2055      1.00000
     86      -7.1791      1.00000
     87      -7.1788      1.00000
     88      -7.0721      1.00000
     89      -6.5096      1.00000
     90      -6.4607      1.00000
     91      -6.3545      1.00000
     92      -6.2924      1.00000
     93      -6.2871      1.00000
     94      -6.2857      1.00000
     95      -5.8966      1.00000
     96      -5.8841      1.00000
     97      -5.0526      1.00000
     98      -4.9366      1.00000
     99      -4.5394      1.00000
    100      -4.3398      1.00000
    101      -4.3173      1.00000
    102      -4.3163      1.00000
    103      -4.1155      1.00000
    104      -3.9128      1.00000
    105      -3.9016      1.00000
    106      -3.8363      1.00000
    107      -1.6808      0.00000
    108      -1.6680      0.00000
    109      -1.5364      0.00000
    110      -1.5346      0.00000
    111      -1.5214      0.00000
    112      -1.5087      0.00000
    113      -0.5816      0.00000
    114       0.1341      0.00000
    115       0.2056      0.00000
    116       0.3250      0.00000
    117       0.3272      0.00000
    118       0.3344      0.00000
    119       0.4982      0.00000
    120       0.5977      0.00000
    121       1.2604      0.00000
    122       1.2770      0.00000
    123       1.5300      0.00000
    124       1.7955      0.00000
    125       1.8051      0.00000
    126       1.8085      0.00000
    127       1.8134      0.00000
    128       1.9458      0.00000
    129       1.9812      0.00000
    130       2.0322      0.00000
    131       2.0456      0.00000
    132       2.0508      0.00000
    133       2.0557      0.00000
    134       2.0616      0.00000
    135       2.3095      0.00000
    136       2.3239      0.00000
    137       2.6156      0.00000
    138       2.6235      0.00000
    139       2.6526      0.00000
    140       2.7307      0.00000
    141       2.8634      0.00000
    142       3.0251      0.00000
    143       3.0539      0.00000
    144       3.0866      0.00000
    145       3.1017      0.00000
    146       3.1019      0.00000
    147       3.1029      0.00000
    148       3.2365      0.00000
    149       3.4518      0.00000
    150       3.5414      0.00000
    151       3.7847      0.00000
    152       3.9445      0.00000
    153       3.9484      0.00000
    154       3.9582      0.00000
    155       3.9634      0.00000
    156       3.9987      0.00000
    157       4.1849      0.00000
    158       4.2727      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     -22.3189      1.00000
      2     -21.7604      1.00000
      3     -21.5697      1.00000
      4     -21.5368      1.00000
      5     -21.2069      1.00000
      6     -21.1619      1.00000
      7     -20.9862      1.00000
      8     -20.1009      1.00000
      9     -20.0566      1.00000
     10     -19.5456      1.00000
     11     -19.5206      1.00000
     12     -19.3482      1.00000
     13     -19.0240      1.00000
     14     -18.9887      1.00000
     15     -18.9805      1.00000
     16     -18.9682      1.00000
     17     -18.2966      1.00000
     18     -18.2771      1.00000
     19     -17.9512      1.00000
     20     -17.0092      1.00000
     21     -16.9588      1.00000
     22     -16.8777      1.00000
     23     -16.8680      1.00000
     24     -16.4042      1.00000
     25     -16.3894      1.00000
     26     -15.5511      1.00000
     27     -15.5350      1.00000
     28     -15.1971      1.00000
     29     -15.1682      1.00000
     30     -15.1139      1.00000
     31     -15.0268      1.00000
     32     -15.0021      1.00000
     33     -14.6356      1.00000
     34     -14.6236      1.00000
     35     -13.6668      1.00000
     36     -13.6512      1.00000
     37     -13.1689      1.00000
     38     -12.5506      1.00000
     39     -12.5172      1.00000
     40     -12.3903      1.00000
     41     -12.3770      1.00000
     42     -12.0570      1.00000
     43     -12.0337      1.00000
     44     -11.6589      1.00000
     45     -11.6163      1.00000
     46     -11.1806      1.00000
     47     -11.1563      1.00000
     48     -10.9648      1.00000
     49     -10.9399      1.00000
     50     -10.8734      1.00000
     51     -10.8365      1.00000
     52     -10.6035      1.00000
     53     -10.0934      1.00000
     54     -10.0880      1.00000
     55     -10.0465      1.00000
     56      -9.9711      1.00000
     57      -9.6539      1.00000
     58      -9.6288      1.00000
     59      -9.5911      1.00000
     60      -9.5293      1.00000
     61      -9.5101      1.00000
     62      -9.4779      1.00000
     63      -9.2648      1.00000
     64      -9.2407      1.00000
     65      -9.2205      1.00000
     66      -9.1654      1.00000
     67      -9.0677      1.00000
     68      -9.0462      1.00000
     69      -9.0401      1.00000
     70      -8.8824      1.00000
     71      -8.8057      1.00000
     72      -8.5803      1.00000
     73      -8.5219      1.00000
     74      -8.4651      1.00000
     75      -8.0348      1.00000
     76      -7.8125      1.00000
     77      -7.8065      1.00000
     78      -7.7923      1.00000
     79      -7.6994      1.00000
     80      -7.6902      1.00000
     81      -7.3613      1.00000
     82      -7.2741      1.00000
     83      -7.2638      1.00000
     84      -7.2146      1.00000
     85      -7.1718      1.00000
     86      -7.0075      1.00000
     87      -6.9467      1.00000
     88      -6.7470      1.00000
     89      -6.6718      1.00000
     90      -6.5932      1.00000
     91      -6.5584      1.00000
     92      -6.0503      1.00000
     93      -6.0474      1.00000
     94      -6.0214      1.00000
     95      -5.9578      1.00000
     96      -5.7357      1.00000
     97      -5.1589      1.00000
     98      -4.9898      1.00000
     99      -4.7183      1.00000
    100      -4.6102      1.00000
    101      -4.4403      1.00000
    102      -4.3737      1.00000
    103      -4.1225      1.00000
    104      -3.8681      1.00000
    105      -3.8359      1.00000
    106      -3.7906      1.00000
    107      -1.7851      0.00000
    108      -1.7379      0.00000
    109      -1.3937      0.00000
    110      -1.3457      0.00000
    111      -1.2635      0.00000
    112      -1.2255      0.00000
    113      -0.7434      0.00000
    114      -0.3777      0.00000
    115      -0.2198      0.00000
    116      -0.0162      0.00000
    117       0.5919      0.00000
    118       0.7372      0.00000
    119       0.7642      0.00000
    120       1.0503      0.00000
    121       1.1418      0.00000
    122       1.2515      0.00000
    123       1.2739      0.00000
    124       1.4165      0.00000
    125       1.4810      0.00000
    126       1.5888      0.00000
    127       1.7584      0.00000
    128       1.8413      0.00000
    129       1.8967      0.00000
    130       1.9600      0.00000
    131       2.1088      0.00000
    132       2.2386      0.00000
    133       2.2508      0.00000
    134       2.2986      0.00000
    135       2.4894      0.00000
    136       2.6178      0.00000
    137       2.6388      0.00000
    138       2.7690      0.00000
    139       2.8026      0.00000
    140       2.8568      0.00000
    141       2.8680      0.00000
    142       2.8929      0.00000
    143       2.9605      0.00000
    144       3.0866      0.00000
    145       3.2837      0.00000
    146       3.3102      0.00000
    147       3.3751      0.00000
    148       3.4084      0.00000
    149       3.4691      0.00000
    150       3.5904      0.00000
    151       3.6385      0.00000
    152       3.6709      0.00000
    153       3.7084      0.00000
    154       3.9094      0.00000
    155       3.9455      0.00000
    156       3.9839      0.00000
    157       4.0893      0.00000
    158       4.2067      0.00000
    159       4.2455      0.00000
    160       4.3006      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2133      1.00000
      2     -22.0070      1.00000
      3     -21.6484      1.00000
      4     -21.6112      1.00000
      5     -20.9122      1.00000
      6     -20.8656      1.00000
      7     -20.5449      1.00000
      8     -20.5053      1.00000
      9     -20.4950      1.00000
     10     -19.9627      1.00000
     11     -19.4418      1.00000
     12     -19.4144      1.00000
     13     -19.2408      1.00000
     14     -19.2262      1.00000
     15     -18.3835      1.00000
     16     -18.3390      1.00000
     17     -17.8594      1.00000
     18     -17.8381      1.00000
     19     -17.6973      1.00000
     20     -17.6544      1.00000
     21     -17.3714      1.00000
     22     -17.3552      1.00000
     23     -17.2736      1.00000
     24     -16.4007      1.00000
     25     -16.3857      1.00000
     26     -15.8957      1.00000
     27     -15.3520      1.00000
     28     -15.3364      1.00000
     29     -15.0341      1.00000
     30     -15.0201      1.00000
     31     -14.7991      1.00000
     32     -14.7740      1.00000
     33     -14.2212      1.00000
     34     -14.1892      1.00000
     35     -13.3705      1.00000
     36     -13.3366      1.00000
     37     -13.1194      1.00000
     38     -13.1017      1.00000
     39     -12.9156      1.00000
     40     -12.9019      1.00000
     41     -12.5564      1.00000
     42     -12.5380      1.00000
     43     -12.1326      1.00000
     44     -11.5218      1.00000
     45     -11.4732      1.00000
     46     -11.2534      1.00000
     47     -11.2192      1.00000
     48     -11.0792      1.00000
     49     -10.6611      1.00000
     50     -10.5882      1.00000
     51     -10.5238      1.00000
     52     -10.2571      1.00000
     53     -10.2484      1.00000
     54     -10.1226      1.00000
     55     -10.0482      1.00000
     56     -10.0404      1.00000
     57      -9.7704      1.00000
     58      -9.7048      1.00000
     59      -9.6794      1.00000
     60      -9.6298      1.00000
     61      -9.6255      1.00000
     62      -9.5870      1.00000
     63      -9.2943      1.00000
     64      -9.2847      1.00000
     65      -9.2530      1.00000
     66      -9.0912      1.00000
     67      -8.8966      1.00000
     68      -8.8827      1.00000
     69      -8.7242      1.00000
     70      -8.5908      1.00000
     71      -8.5136      1.00000
     72      -8.3304      1.00000
     73      -8.3022      1.00000
     74      -8.2641      1.00000
     75      -8.2319      1.00000
     76      -8.1944      1.00000
     77      -8.1854      1.00000
     78      -8.1703      1.00000
     79      -8.1061      1.00000
     80      -7.6883      1.00000
     81      -7.3546      1.00000
     82      -7.3097      1.00000
     83      -7.2636      1.00000
     84      -7.1871      1.00000
     85      -7.1241      1.00000
     86      -7.0762      1.00000
     87      -6.9065      1.00000
     88      -6.8818      1.00000
     89      -6.5489      1.00000
     90      -6.4920      1.00000
     91      -6.2094      1.00000
     92      -6.0700      1.00000
     93      -5.9418      1.00000
     94      -5.7159      1.00000
     95      -5.6323      1.00000
     96      -5.4521      1.00000
     97      -5.3050      1.00000
     98      -5.2334      1.00000
     99      -5.1513      1.00000
    100      -5.1510      1.00000
    101      -4.5246      1.00000
    102      -4.4708      1.00000
    103      -4.1437      1.00000
    104      -3.8390      1.00000
    105      -3.7572      1.00000
    106      -3.6792      1.00000
    107      -1.8709      0.00000
    108      -1.8233      0.00000
    109      -1.2759      0.00000
    110      -1.0358      0.00000
    111      -1.0112      0.00000
    112      -0.7112      0.00000
    113      -0.6396      0.00000
    114      -0.5879      0.00000
    115      -0.5456      0.00000
    116      -0.1987      0.00000
    117       0.2530      0.00000
    118       0.2789      0.00000
    119       0.7624      0.00000
    120       0.9471      0.00000
    121       1.1331      0.00000
    122       1.2273      0.00000
    123       1.3218      0.00000
    124       1.4142      0.00000
    125       1.6025      0.00000
    126       1.6342      0.00000
    127       1.7035      0.00000
    128       1.8252      0.00000
    129       1.9226      0.00000
    130       2.0149      0.00000
    131       2.1090      0.00000
    132       2.3312      0.00000
    133       2.3968      0.00000
    134       2.4352      0.00000
    135       2.5444      0.00000
    136       2.6354      0.00000
    137       2.7562      0.00000
    138       2.8240      0.00000
    139       2.8348      0.00000
    140       2.8889      0.00000
    141       3.0440      0.00000
    142       3.0918      0.00000
    143       3.1895      0.00000
    144       3.2424      0.00000
    145       3.3906      0.00000
    146       3.4241      0.00000
    147       3.4843      0.00000
    148       3.5765      0.00000
    149       3.6031      0.00000
    150       3.6283      0.00000
    151       3.6529      0.00000
    152       3.7442      0.00000
    153       3.7738      0.00000
    154       3.7904      0.00000
    155       3.8082      0.00000
    156       3.9000      0.00000
    157       3.9798      0.00000
    158       4.0142      0.00000
    159       4.1793      0.00000
    160       4.2405      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2471      1.00000
      2     -21.8928      1.00000
      3     -21.8221      1.00000
      4     -21.3108      1.00000
      5     -21.2805      1.00000
      6     -20.7696      1.00000
      7     -20.7036      1.00000
      8     -20.5552      1.00000
      9     -20.0079      1.00000
     10     -20.0006      1.00000
     11     -19.6469      1.00000
     12     -19.6226      1.00000
     13     -18.9286      1.00000
     14     -18.9202      1.00000
     15     -18.5697      1.00000
     16     -18.5559      1.00000
     17     -18.3929      1.00000
     18     -17.6144      1.00000
     19     -17.5577      1.00000
     20     -17.5525      1.00000
     21     -17.5109      1.00000
     22     -17.0550      1.00000
     23     -17.0373      1.00000
     24     -16.8907      1.00000
     25     -15.9289      1.00000
     26     -15.8665      1.00000
     27     -15.5156      1.00000
     28     -15.5145      1.00000
     29     -15.2277      1.00000
     30     -14.7937      1.00000
     31     -14.7663      1.00000
     32     -14.5146      1.00000
     33     -14.4701      1.00000
     34     -14.1012      1.00000
     35     -14.0898      1.00000
     36     -13.0756      1.00000
     37     -13.0322      1.00000
     38     -12.9659      1.00000
     39     -12.9538      1.00000
     40     -12.6445      1.00000
     41     -12.6379      1.00000
     42     -12.2734      1.00000
     43     -12.2418      1.00000
     44     -11.5876      1.00000
     45     -11.5600      1.00000
     46     -11.5056      1.00000
     47     -10.9049      1.00000
     48     -10.8502      1.00000
     49     -10.6231      1.00000
     50     -10.5585      1.00000
     51     -10.4839      1.00000
     52     -10.4329      1.00000
     53     -10.4228      1.00000
     54     -10.3704      1.00000
     55     -10.2928      1.00000
     56     -10.0656      1.00000
     57      -9.8323      1.00000
     58      -9.5478      1.00000
     59      -9.4871      1.00000
     60      -9.4731      1.00000
     61      -9.3456      1.00000
     62      -9.3300      1.00000
     63      -9.3094      1.00000
     64      -9.3073      1.00000
     65      -9.2136      1.00000
     66      -9.1117      1.00000
     67      -9.0803      1.00000
     68      -9.0488      1.00000
     69      -8.8503      1.00000
     70      -8.7923      1.00000
     71      -8.7736      1.00000
     72      -8.5262      1.00000
     73      -8.4762      1.00000
     74      -8.2254      1.00000
     75      -8.1102      1.00000
     76      -8.0987      1.00000
     77      -7.8080      1.00000
     78      -7.7832      1.00000
     79      -7.7807      1.00000
     80      -7.6739      1.00000
     81      -7.6310      1.00000
     82      -7.6299      1.00000
     83      -7.3990      1.00000
     84      -7.3240      1.00000
     85      -7.1966      1.00000
     86      -6.8389      1.00000
     87      -6.8288      1.00000
     88      -6.6627      1.00000
     89      -6.5378      1.00000
     90      -6.3441      1.00000
     91      -6.3073      1.00000
     92      -6.1836      1.00000
     93      -6.1473      1.00000
     94      -5.9766      1.00000
     95      -5.5715      1.00000
     96      -5.4254      1.00000
     97      -5.2579      1.00000
     98      -5.2530      1.00000
     99      -5.1484      1.00000
    100      -4.6954      1.00000
    101      -4.6644      1.00000
    102      -4.3490      1.00000
    103      -4.3171      1.00000
    104      -3.9650      1.00000
    105      -3.8327      1.00000
    106      -3.3889      1.00000
    107      -2.2199      0.00000
    108      -1.3766      0.00000
    109      -1.2856      0.00000
    110      -1.1725      0.00000
    111      -1.0770      0.00000
    112      -0.8933      0.00000
    113      -0.7675      0.00000
    114      -0.7568      0.00000
    115      -0.2139      0.00000
    116       0.1138      0.00000
    117       0.2640      0.00000
    118       0.3462      0.00000
    119       0.7360      0.00000
    120       0.9039      0.00000
    121       0.9726      0.00000
    122       1.0960      0.00000
    123       1.2111      0.00000
    124       1.5311      0.00000
    125       1.5658      0.00000
    126       1.7181      0.00000
    127       1.8392      0.00000
    128       1.8629      0.00000
    129       1.9711      0.00000
    130       2.0022      0.00000
    131       2.1608      0.00000
    132       2.2711      0.00000
    133       2.4579      0.00000
    134       2.4705      0.00000
    135       2.5072      0.00000
    136       2.6664      0.00000
    137       2.6873      0.00000
    138       2.7346      0.00000
    139       2.7459      0.00000
    140       2.8962      0.00000
    141       3.0246      0.00000
    142       3.0852      0.00000
    143       3.1946      0.00000
    144       3.2561      0.00000
    145       3.2611      0.00000
    146       3.2718      0.00000
    147       3.3630      0.00000
    148       3.4862      0.00000
    149       3.5319      0.00000
    150       3.6995      0.00000
    151       3.7621      0.00000
    152       3.7707      0.00000
    153       3.8369      0.00000
    154       3.8835      0.00000
    155       3.9459      0.00000
    156       3.9850      0.00000
    157       4.0240      0.00000
    158       4.0521      0.00000
    159       4.0577      0.00000
    160       4.1242      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1412      1.00000
      2     -22.0458      1.00000
      3     -21.8857      1.00000
      4     -21.3338      1.00000
      5     -20.9810      1.00000
      6     -20.9423      1.00000
      7     -20.4326      1.00000
      8     -20.3898      1.00000
      9     -20.2257      1.00000
     10     -20.2042      1.00000
     11     -19.8883      1.00000
     12     -19.8206      1.00000
     13     -18.8142      1.00000
     14     -18.7429      1.00000
     15     -18.2893      1.00000
     16     -18.2356      1.00000
     17     -18.0851      1.00000
     18     -18.0649      1.00000
     19     -17.7608      1.00000
     20     -17.7183      1.00000
     21     -17.1881      1.00000
     22     -17.1693      1.00000
     23     -17.0989      1.00000
     24     -17.0631      1.00000
     25     -16.0371      1.00000
     26     -15.8223      1.00000
     27     -15.7989      1.00000
     28     -15.7640      1.00000
     29     -15.1731      1.00000
     30     -14.4906      1.00000
     31     -14.4577      1.00000
     32     -14.2173      1.00000
     33     -13.8944      1.00000
     34     -13.8896      1.00000
     35     -13.7554      1.00000
     36     -13.7353      1.00000
     37     -13.5511      1.00000
     38     -13.5024      1.00000
     39     -13.2991      1.00000
     40     -12.5636      1.00000
     41     -12.1250      1.00000
     42     -12.0654      1.00000
     43     -12.0095      1.00000
     44     -11.9507      1.00000
     45     -11.6106      1.00000
     46     -11.5875      1.00000
     47     -11.0853      1.00000
     48     -11.0513      1.00000
     49     -10.7536      1.00000
     50     -10.6633      1.00000
     51     -10.5279      1.00000
     52     -10.1482      1.00000
     53     -10.1378      1.00000
     54     -10.0952      1.00000
     55      -9.9525      1.00000
     56      -9.9472      1.00000
     57      -9.9165      1.00000
     58      -9.7374      1.00000
     59      -9.7305      1.00000
     60      -9.7003      1.00000
     61      -9.6902      1.00000
     62      -9.4308      1.00000
     63      -9.3628      1.00000
     64      -9.0880      1.00000
     65      -9.0062      1.00000
     66      -8.9740      1.00000
     67      -8.8874      1.00000
     68      -8.8104      1.00000
     69      -8.6582      1.00000
     70      -8.6345      1.00000
     71      -8.5807      1.00000
     72      -8.4778      1.00000
     73      -8.4674      1.00000
     74      -8.3977      1.00000
     75      -8.3937      1.00000
     76      -8.1831      1.00000
     77      -8.1156      1.00000
     78      -7.9763      1.00000
     79      -7.9168      1.00000
     80      -7.8464      1.00000
     81      -7.6187      1.00000
     82      -7.5297      1.00000
     83      -7.4685      1.00000
     84      -7.2522      1.00000
     85      -6.9342      1.00000
     86      -6.8572      1.00000
     87      -6.8105      1.00000
     88      -6.5755      1.00000
     89      -6.4667      1.00000
     90      -6.4199      1.00000
     91      -6.3558      1.00000
     92      -6.0523      1.00000
     93      -5.8778      1.00000
     94      -5.7526      1.00000
     95      -5.7209      1.00000
     96      -5.4772      1.00000
     97      -5.3459      1.00000
     98      -5.1796      1.00000
     99      -5.1554      1.00000
    100      -5.1540      1.00000
    101      -4.7078      1.00000
    102      -4.4411      1.00000
    103      -4.2571      1.00000
    104      -3.9967      1.00000
    105      -3.8315      1.00000
    106      -3.1554      1.00000
    107      -2.4626      0.00000
    108      -1.3777      0.00000
    109      -1.2410      0.00000
    110      -1.1456      0.00000
    111      -1.1140      0.00000
    112      -0.5618      0.00000
    113      -0.4342      0.00000
    114      -0.4288      0.00000
    115      -0.3098      0.00000
    116      -0.1889      0.00000
    117       0.0623      0.00000
    118       0.1185      0.00000
    119       0.5407      0.00000
    120       0.6846      0.00000
    121       0.8731      0.00000
    122       0.9703      0.00000
    123       1.1133      0.00000
    124       1.4975      0.00000
    125       1.6642      0.00000
    126       1.8069      0.00000
    127       1.8792      0.00000
    128       2.0955      0.00000
    129       2.1403      0.00000
    130       2.1986      0.00000
    131       2.2154      0.00000
    132       2.3405      0.00000
    133       2.3633      0.00000
    134       2.4892      0.00000
    135       2.5819      0.00000
    136       2.6707      0.00000
    137       2.8804      0.00000
    138       2.9384      0.00000
    139       2.9679      0.00000
    140       2.9948      0.00000
    141       3.0438      0.00000
    142       3.1525      0.00000
    143       3.1819      0.00000
    144       3.2480      0.00000
    145       3.2926      0.00000
    146       3.3340      0.00000
    147       3.3507      0.00000
    148       3.3811      0.00000
    149       3.4169      0.00000
    150       3.4985      0.00000
    151       3.5574      0.00000
    152       3.6360      0.00000
    153       3.6964      0.00000
    154       3.7113      0.00000
    155       3.7288      0.00000
    156       3.9222      0.00000
    157       3.9377      0.00000
    158       4.0614      0.00000
    159       4.0927      0.00000
    160       4.2055      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2469      1.00000
      2     -21.8943      1.00000
      3     -21.8206      1.00000
      4     -21.3154      1.00000
      5     -21.2764      1.00000
      6     -20.7707      1.00000
      7     -20.7016      1.00000
      8     -20.5537      1.00000
      9     -20.0220      1.00000
     10     -19.9895      1.00000
     11     -19.6495      1.00000
     12     -19.6183      1.00000
     13     -18.9427      1.00000
     14     -18.9077      1.00000
     15     -18.5832      1.00000
     16     -18.5457      1.00000
     17     -18.3913      1.00000
     18     -17.6014      1.00000
     19     -17.5699      1.00000
     20     -17.5403      1.00000
     21     -17.5076      1.00000
     22     -17.0738      1.00000
     23     -17.0267      1.00000
     24     -16.8992      1.00000
     25     -15.9447      1.00000
     26     -15.8503      1.00000
     27     -15.5326      1.00000
     28     -15.5057      1.00000
     29     -15.2086      1.00000
     30     -14.8132      1.00000
     31     -14.7605      1.00000
     32     -14.5090      1.00000
     33     -14.4671      1.00000
     34     -14.0954      1.00000
     35     -14.0924      1.00000
     36     -13.1044      1.00000
     37     -13.0289      1.00000
     38     -12.9560      1.00000
     39     -12.9488      1.00000
     40     -12.6554      1.00000
     41     -12.6266      1.00000
     42     -12.2734      1.00000
     43     -12.2463      1.00000
     44     -11.5726      1.00000
     45     -11.5529      1.00000
     46     -11.4998      1.00000
     47     -10.8780      1.00000
     48     -10.8684      1.00000
     49     -10.6847      1.00000
     50     -10.5247      1.00000
     51     -10.5196      1.00000
     52     -10.4327      1.00000
     53     -10.4150      1.00000
     54     -10.3693      1.00000
     55     -10.2872      1.00000
     56     -10.0609      1.00000
     57      -9.8311      1.00000
     58      -9.5593      1.00000
     59      -9.4839      1.00000
     60      -9.4457      1.00000
     61      -9.3549      1.00000
     62      -9.3385      1.00000
     63      -9.3071      1.00000
     64      -9.3015      1.00000
     65      -9.2054      1.00000
     66      -9.0988      1.00000
     67      -9.0675      1.00000
     68      -9.0485      1.00000
     69      -8.8538      1.00000
     70      -8.7959      1.00000
     71      -8.7778      1.00000
     72      -8.5264      1.00000
     73      -8.4980      1.00000
     74      -8.2305      1.00000
     75      -8.1290      1.00000
     76      -8.0924      1.00000
     77      -7.8063      1.00000
     78      -7.7668      1.00000
     79      -7.7383      1.00000
     80      -7.7044      1.00000
     81      -7.6352      1.00000
     82      -7.6238      1.00000
     83      -7.3868      1.00000
     84      -7.3434      1.00000
     85      -7.2164      1.00000
     86      -6.8430      1.00000
     87      -6.8196      1.00000
     88      -6.6404      1.00000
     89      -6.5285      1.00000
     90      -6.3409      1.00000
     91      -6.2724      1.00000
     92      -6.1950      1.00000
     93      -6.1310      1.00000
     94      -6.0212      1.00000
     95      -5.6386      1.00000
     96      -5.5079      1.00000
     97      -5.2973      1.00000
     98      -5.1554      1.00000
     99      -5.0396      1.00000
    100      -4.7270      1.00000
    101      -4.6848      1.00000
    102      -4.3678      1.00000
    103      -4.1867      1.00000
    104      -4.0098      1.00000
    105      -3.8310      1.00000
    106      -3.4835      1.00000
    107      -2.1637      0.00000
    108      -1.3824      0.00000
    109      -1.2354      0.00000
    110      -1.1841      0.00000
    111      -1.0133      0.00000
    112      -0.9555      0.00000
    113      -0.7970      0.00000
    114      -0.7515      0.00000
    115      -0.3621      0.00000
    116       0.2453      0.00000
    117       0.2771      0.00000
    118       0.3657      0.00000
    119       0.7022      0.00000
    120       0.8694      0.00000
    121       0.9660      0.00000
    122       1.1286      0.00000
    123       1.2380      0.00000
    124       1.4575      0.00000
    125       1.5586      0.00000
    126       1.7838      0.00000
    127       1.8517      0.00000
    128       1.8843      0.00000
    129       1.9893      0.00000
    130       2.0336      0.00000
    131       2.1988      0.00000
    132       2.2144      0.00000
    133       2.4052      0.00000
    134       2.4545      0.00000
    135       2.5544      0.00000
    136       2.6587      0.00000
    137       2.6853      0.00000
    138       2.7307      0.00000
    139       2.7703      0.00000
    140       2.8582      0.00000
    141       2.9685      0.00000
    142       3.0841      0.00000
    143       3.1902      0.00000
    144       3.2433      0.00000
    145       3.2598      0.00000
    146       3.2974      0.00000
    147       3.3353      0.00000
    148       3.4857      0.00000
    149       3.5125      0.00000
    150       3.7167      0.00000
    151       3.7264      0.00000
    152       3.7706      0.00000
    153       3.8642      0.00000
    154       3.8763      0.00000
    155       3.9009      0.00000
    156       3.9990      0.00000
    157       4.0006      0.00000
    158       4.0542      0.00000
    159       4.0663      0.00000
    160       4.0930      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3189      1.00000
      2     -21.7608      1.00000
      3     -21.5670      1.00000
      4     -21.5397      1.00000
      5     -21.2042      1.00000
      6     -21.1652      1.00000
      7     -20.9849      1.00000
      8     -20.0980      1.00000
      9     -20.0589      1.00000
     10     -19.5455      1.00000
     11     -19.5253      1.00000
     12     -19.3441      1.00000
     13     -19.0274      1.00000
     14     -18.9873      1.00000
     15     -18.9767      1.00000
     16     -18.9710      1.00000
     17     -18.2952      1.00000
     18     -18.2816      1.00000
     19     -17.9456      1.00000
     20     -17.0002      1.00000
     21     -16.9589      1.00000
     22     -16.8818      1.00000
     23     -16.8689      1.00000
     24     -16.4154      1.00000
     25     -16.3924      1.00000
     26     -15.5401      1.00000
     27     -15.5366      1.00000
     28     -15.1722      1.00000
     29     -15.1707      1.00000
     30     -15.1305      1.00000
     31     -15.0357      1.00000
     32     -15.0002      1.00000
     33     -14.6328      1.00000
     34     -14.6256      1.00000
     35     -13.6623      1.00000
     36     -13.6521      1.00000
     37     -13.1705      1.00000
     38     -12.5730      1.00000
     39     -12.5126      1.00000
     40     -12.3850      1.00000
     41     -12.3844      1.00000
     42     -12.0350      1.00000
     43     -12.0305      1.00000
     44     -11.6543      1.00000
     45     -11.6138      1.00000
     46     -11.2067      1.00000
     47     -11.1565      1.00000
     48     -10.9549      1.00000
     49     -10.9417      1.00000
     50     -10.8599      1.00000
     51     -10.8273      1.00000
     52     -10.6266      1.00000
     53     -10.1475      1.00000
     54     -10.0836      1.00000
     55     -10.0246      1.00000
     56      -9.9460      1.00000
     57      -9.6310      1.00000
     58      -9.6290      1.00000
     59      -9.6025      1.00000
     60      -9.5406      1.00000
     61      -9.5023      1.00000
     62      -9.4778      1.00000
     63      -9.2733      1.00000
     64      -9.2348      1.00000
     65      -9.2067      1.00000
     66      -9.1789      1.00000
     67      -9.0615      1.00000
     68      -9.0465      1.00000
     69      -9.0427      1.00000
     70      -8.8765      1.00000
     71      -8.8079      1.00000
     72      -8.5396      1.00000
     73      -8.5326      1.00000
     74      -8.5047      1.00000
     75      -8.0307      1.00000
     76      -7.8315      1.00000
     77      -7.8020      1.00000
     78      -7.7733      1.00000
     79      -7.7027      1.00000
     80      -7.6840      1.00000
     81      -7.4107      1.00000
     82      -7.2876      1.00000
     83      -7.2511      1.00000
     84      -7.2025      1.00000
     85      -7.0822      1.00000
     86      -7.0728      1.00000
     87      -6.9371      1.00000
     88      -6.7118      1.00000
     89      -6.6739      1.00000
     90      -6.6282      1.00000
     91      -6.5564      1.00000
     92      -6.0715      1.00000
     93      -6.0311      1.00000
     94      -6.0012      1.00000
     95      -5.9360      1.00000
     96      -5.8009      1.00000
     97      -5.1831      1.00000
     98      -4.8956      1.00000
     99      -4.7934      1.00000
    100      -4.6103      1.00000
    101      -4.5119      1.00000
    102      -4.1401      1.00000
    103      -4.0926      1.00000
    104      -3.9308      1.00000
    105      -3.9163      1.00000
    106      -3.8300      1.00000
    107      -1.7512      0.00000
    108      -1.6952      0.00000
    109      -1.4095      0.00000
    110      -1.3709      0.00000
    111      -1.2638      0.00000
    112      -1.2354      0.00000
    113      -0.6207      0.00000
    114      -0.5980      0.00000
    115      -0.1900      0.00000
    116       0.0449      0.00000
    117       0.5854      0.00000
    118       0.7408      0.00000
    119       0.8509      0.00000
    120       0.9292      0.00000
    121       1.1680      0.00000
    122       1.2121      0.00000
    123       1.2481      0.00000
    124       1.4219      0.00000
    125       1.6006      0.00000
    126       1.6417      0.00000
    127       1.7064      0.00000
    128       1.8066      0.00000
    129       1.9233      0.00000
    130       1.9404      0.00000
    131       2.1519      0.00000
    132       2.1747      0.00000
    133       2.2625      0.00000
    134       2.3037      0.00000
    135       2.5446      0.00000
    136       2.5625      0.00000
    137       2.6373      0.00000
    138       2.7618      0.00000
    139       2.8121      0.00000
    140       2.8469      0.00000
    141       2.8941      0.00000
    142       2.9457      0.00000
    143       3.0182      0.00000
    144       3.0305      0.00000
    145       3.0914      0.00000
    146       3.3175      0.00000
    147       3.3707      0.00000
    148       3.4175      0.00000
    149       3.4812      0.00000
    150       3.6059      0.00000
    151       3.6577      0.00000
    152       3.6670      0.00000
    153       3.6803      0.00000
    154       3.8956      0.00000
    155       3.9827      0.00000
    156       4.0306      0.00000
    157       4.0757      0.00000
    158       4.2382      0.00000
    159       4.2583      0.00000
    160       4.2724      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1403      1.00000
      2     -22.0473      1.00000
      3     -21.8852      1.00000
      4     -21.3347      1.00000
      5     -20.9759      1.00000
      6     -20.9465      1.00000
      7     -20.4273      1.00000
      8     -20.3952      1.00000
      9     -20.2152      1.00000
     10     -20.2135      1.00000
     11     -19.8871      1.00000
     12     -19.8231      1.00000
     13     -18.8171      1.00000
     14     -18.7460      1.00000
     15     -18.2652      1.00000
     16     -18.2512      1.00000
     17     -18.0795      1.00000
     18     -18.0730      1.00000
     19     -17.7452      1.00000
     20     -17.7295      1.00000
     21     -17.1943      1.00000
     22     -17.1708      1.00000
     23     -17.0883      1.00000
     24     -17.0671      1.00000
     25     -16.0533      1.00000
     26     -15.8076      1.00000
     27     -15.7982      1.00000
     28     -15.7770      1.00000
     29     -15.1587      1.00000
     30     -14.4850      1.00000
     31     -14.4635      1.00000
     32     -14.2037      1.00000
     33     -13.9163      1.00000
     34     -13.8860      1.00000
     35     -13.7587      1.00000
     36     -13.7381      1.00000
     37     -13.5357      1.00000
     38     -13.5098      1.00000
     39     -13.3006      1.00000
     40     -12.5761      1.00000
     41     -12.1007      1.00000
     42     -12.0766      1.00000
     43     -11.9980      1.00000
     44     -11.9500      1.00000
     45     -11.6056      1.00000
     46     -11.5976      1.00000
     47     -11.0845      1.00000
     48     -11.0607      1.00000
     49     -10.7321      1.00000
     50     -10.6635      1.00000
     51     -10.5618      1.00000
     52     -10.1394      1.00000
     53     -10.1347      1.00000
     54     -10.1000      1.00000
     55      -9.9658      1.00000
     56      -9.9248      1.00000
     57      -9.9206      1.00000
     58      -9.7509      1.00000
     59      -9.7286      1.00000
     60      -9.6969      1.00000
     61      -9.6944      1.00000
     62      -9.4022      1.00000
     63      -9.3886      1.00000
     64      -9.0705      1.00000
     65      -8.9817      1.00000
     66      -8.9810      1.00000
     67      -8.9059      1.00000
     68      -8.8112      1.00000
     69      -8.6499      1.00000
     70      -8.6334      1.00000
     71      -8.5512      1.00000
     72      -8.5016      1.00000
     73      -8.4819      1.00000
     74      -8.3940      1.00000
     75      -8.3817      1.00000
     76      -8.2096      1.00000
     77      -8.1030      1.00000
     78      -8.0068      1.00000
     79      -7.9022      1.00000
     80      -7.8441      1.00000
     81      -7.6215      1.00000
     82      -7.5327      1.00000
     83      -7.4560      1.00000
     84      -7.2494      1.00000
     85      -6.9426      1.00000
     86      -6.8688      1.00000
     87      -6.8092      1.00000
     88      -6.4773      1.00000
     89      -6.4686      1.00000
     90      -6.4084      1.00000
     91      -6.3592      1.00000
     92      -6.1935      1.00000
     93      -5.8576      1.00000
     94      -5.7369      1.00000
     95      -5.7106      1.00000
     96      -5.5245      1.00000
     97      -5.3284      1.00000
     98      -5.1718      1.00000
     99      -5.1669      1.00000
    100      -5.1334      1.00000
    101      -4.6954      1.00000
    102      -4.3481      1.00000
    103      -4.2830      1.00000
    104      -4.0300      1.00000
    105      -3.8325      1.00000
    106      -3.2326      1.00000
    107      -2.4044      0.00000
    108      -1.3441      0.00000
    109      -1.2435      0.00000
    110      -1.1526      0.00000
    111      -1.1080      0.00000
    112      -0.5806      0.00000
    113      -0.5216      0.00000
    114      -0.4334      0.00000
    115      -0.2747      0.00000
    116      -0.0681      0.00000
    117      -0.0098      0.00000
    118       0.0602      0.00000
    119       0.5832      0.00000
    120       0.7113      0.00000
    121       0.8116      0.00000
    122       0.9464      0.00000
    123       1.1855      0.00000
    124       1.5122      0.00000
    125       1.6222      0.00000
    126       1.8630      0.00000
    127       2.0069      0.00000
    128       2.0523      0.00000
    129       2.1161      0.00000
    130       2.1543      0.00000
    131       2.2639      0.00000
    132       2.2866      0.00000
    133       2.3490      0.00000
    134       2.4628      0.00000
    135       2.6116      0.00000
    136       2.7028      0.00000
    137       2.8219      0.00000
    138       2.9151      0.00000
    139       2.9433      0.00000
    140       3.0172      0.00000
    141       3.0508      0.00000
    142       3.1588      0.00000
    143       3.1639      0.00000
    144       3.2266      0.00000
    145       3.3004      0.00000
    146       3.3130      0.00000
    147       3.3540      0.00000
    148       3.3747      0.00000
    149       3.4188      0.00000
    150       3.4540      0.00000
    151       3.5666      0.00000
    152       3.6158      0.00000
    153       3.7030      0.00000
    154       3.7277      0.00000
    155       3.8502      0.00000
    156       3.9070      0.00000
    157       3.9336      0.00000
    158       3.9631      0.00000
    159       4.1502      0.00000
    160       4.1845      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2129      1.00000
      2     -22.0076      1.00000
      3     -21.6457      1.00000
      4     -21.6143      1.00000
      5     -20.9093      1.00000
      6     -20.8684      1.00000
      7     -20.5387      1.00000
      8     -20.5060      1.00000
      9     -20.4991      1.00000
     10     -19.9618      1.00000
     11     -19.4403      1.00000
     12     -19.4183      1.00000
     13     -19.2393      1.00000
     14     -19.2321      1.00000
     15     -18.3757      1.00000
     16     -18.3404      1.00000
     17     -17.8583      1.00000
     18     -17.8422      1.00000
     19     -17.6910      1.00000
     20     -17.6548      1.00000
     21     -17.3717      1.00000
     22     -17.3574      1.00000
     23     -17.2668      1.00000
     24     -16.4131      1.00000
     25     -16.3891      1.00000
     26     -15.9042      1.00000
     27     -15.3430      1.00000
     28     -15.3379      1.00000
     29     -15.0307      1.00000
     30     -15.0207      1.00000
     31     -14.7760      1.00000
     32     -14.7737      1.00000
     33     -14.2374      1.00000
     34     -14.1864      1.00000
     35     -13.3875      1.00000
     36     -13.3328      1.00000
     37     -13.1109      1.00000
     38     -13.1024      1.00000
     39     -12.9174      1.00000
     40     -12.9116      1.00000
     41     -12.5452      1.00000
     42     -12.5371      1.00000
     43     -12.1332      1.00000
     44     -11.5134      1.00000
     45     -11.4686      1.00000
     46     -11.2441      1.00000
     47     -11.2124      1.00000
     48     -11.0866      1.00000
     49     -10.7088      1.00000
     50     -10.5951      1.00000
     51     -10.5091      1.00000
     52     -10.2511      1.00000
     53     -10.2469      1.00000
     54     -10.1212      1.00000
     55     -10.0538      1.00000
     56     -10.0383      1.00000
     57      -9.7858      1.00000
     58      -9.6865      1.00000
     59      -9.6728      1.00000
     60      -9.6373      1.00000
     61      -9.6275      1.00000
     62      -9.5849      1.00000
     63      -9.2958      1.00000
     64      -9.2830      1.00000
     65      -9.2525      1.00000
     66      -9.0683      1.00000
     67      -8.8946      1.00000
     68      -8.8834      1.00000
     69      -8.7179      1.00000
     70      -8.5839      1.00000
     71      -8.5256      1.00000
     72      -8.3508      1.00000
     73      -8.3044      1.00000
     74      -8.2430      1.00000
     75      -8.2375      1.00000
     76      -8.1942      1.00000
     77      -8.1808      1.00000
     78      -8.1689      1.00000
     79      -8.1127      1.00000
     80      -7.6902      1.00000
     81      -7.4155      1.00000
     82      -7.3438      1.00000
     83      -7.2573      1.00000
     84      -7.1684      1.00000
     85      -7.1099      1.00000
     86      -7.0026      1.00000
     87      -6.9034      1.00000
     88      -6.8462      1.00000
     89      -6.5413      1.00000
     90      -6.4984      1.00000
     91      -6.2156      1.00000
     92      -6.2011      1.00000
     93      -5.8940      1.00000
     94      -5.6734      1.00000
     95      -5.6089      1.00000
     96      -5.5798      1.00000
     97      -5.2528      1.00000
     98      -5.2307      1.00000
     99      -5.1643      1.00000
    100      -5.1339      1.00000
    101      -4.5996      1.00000
    102      -4.2528      1.00000
    103      -4.0464      1.00000
    104      -3.8838      1.00000
    105      -3.8441      1.00000
    106      -3.8011      1.00000
    107      -1.8074      0.00000
    108      -1.7797      0.00000
    109      -1.2238      0.00000
    110      -1.1754      0.00000
    111      -0.9734      0.00000
    112      -0.7334      0.00000
    113      -0.6501      0.00000
    114      -0.5934      0.00000
    115      -0.5492      0.00000
    116      -0.1481      0.00000
    117       0.1765      0.00000
    118       0.2885      0.00000
    119       0.7070      0.00000
    120       0.9512      0.00000
    121       1.1686      0.00000
    122       1.2787      0.00000
    123       1.3489      0.00000
    124       1.5141      0.00000
    125       1.6095      0.00000
    126       1.6288      0.00000
    127       1.6927      0.00000
    128       1.7751      0.00000
    129       1.8648      0.00000
    130       2.0803      0.00000
    131       2.1690      0.00000
    132       2.3192      0.00000
    133       2.3963      0.00000
    134       2.4245      0.00000
    135       2.5588      0.00000
    136       2.6261      0.00000
    137       2.6878      0.00000
    138       2.7473      0.00000
    139       2.8186      0.00000
    140       2.9099      0.00000
    141       3.0542      0.00000
    142       3.0627      0.00000
    143       3.1861      0.00000
    144       3.2835      0.00000
    145       3.3811      0.00000
    146       3.4168      0.00000
    147       3.4626      0.00000
    148       3.5464      0.00000
    149       3.5762      0.00000
    150       3.6357      0.00000
    151       3.6659      0.00000
    152       3.7018      0.00000
    153       3.7896      0.00000
    154       3.8013      0.00000
    155       3.8271      0.00000
    156       3.8964      0.00000
    157       3.9100      0.00000
    158       3.9835      0.00000
    159       4.1909      0.00000
    160       4.2372      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3555      1.00000
      2     -21.5361      1.00000
      3     -21.4061      1.00000
      4     -21.4051      1.00000
      5     -21.3739      1.00000
      6     -21.3647      1.00000
      7     -21.3574      1.00000
      8     -19.6457      1.00000
      9     -19.5713      1.00000
     10     -19.5642      1.00000
     11     -19.5578      1.00000
     12     -19.5393      1.00000
     13     -19.5364      1.00000
     14     -18.7275      1.00000
     15     -18.6789      1.00000
     16     -18.6713      1.00000
     17     -18.6577      1.00000
     18     -18.6422      1.00000
     19     -18.6405      1.00000
     20     -16.5858      1.00000
     21     -16.5260      1.00000
     22     -16.5233      1.00000
     23     -16.5102      1.00000
     24     -16.4861      1.00000
     25     -16.4841      1.00000
     26     -15.5579      1.00000
     27     -15.5255      1.00000
     28     -15.5247      1.00000
     29     -15.4990      1.00000
     30     -15.4938      1.00000
     31     -15.4881      1.00000
     32     -14.2061      1.00000
     33     -14.1797      1.00000
     34     -14.1664      1.00000
     35     -14.1642      1.00000
     36     -14.1591      1.00000
     37     -14.1478      1.00000
     38     -11.8848      1.00000
     39     -11.8075      1.00000
     40     -11.7917      1.00000
     41     -11.7913      1.00000
     42     -11.7881      1.00000
     43     -11.7825      1.00000
     44     -11.7040      1.00000
     45     -11.6974      1.00000
     46     -11.6720      1.00000
     47     -11.6568      1.00000
     48     -11.6567      1.00000
     49     -11.6497      1.00000
     50     -10.6758      1.00000
     51     -10.3285      1.00000
     52     -10.3207      1.00000
     53     -10.3049      1.00000
     54     -10.3033      1.00000
     55     -10.2902      1.00000
     56     -10.2771      1.00000
     57      -9.9297      1.00000
     58      -9.3725      1.00000
     59      -9.3585      1.00000
     60      -9.2994      1.00000
     61      -9.2911      1.00000
     62      -9.2842      1.00000
     63      -9.0923      1.00000
     64      -9.0540      1.00000
     65      -9.0488      1.00000
     66      -9.0263      1.00000
     67      -9.0063      1.00000
     68      -9.0011      1.00000
     69      -8.9998      1.00000
     70      -8.9941      1.00000
     71      -8.9913      1.00000
     72      -8.9720      1.00000
     73      -8.9640      1.00000
     74      -8.9531      1.00000
     75      -8.5083      1.00000
     76      -7.5126      1.00000
     77      -7.4104      1.00000
     78      -7.4103      1.00000
     79      -7.4012      1.00000
     80      -7.3833      1.00000
     81      -7.3635      1.00000
     82      -7.3409      1.00000
     83      -7.3076      1.00000
     84      -7.2693      1.00000
     85      -7.2055      1.00000
     86      -7.1791      1.00000
     87      -7.1788      1.00000
     88      -7.0721      1.00000
     89      -6.5096      1.00000
     90      -6.4607      1.00000
     91      -6.3545      1.00000
     92      -6.2924      1.00000
     93      -6.2871      1.00000
     94      -6.2857      1.00000
     95      -5.8966      1.00000
     96      -5.8841      1.00000
     97      -5.0526      1.00000
     98      -4.9366      1.00000
     99      -4.5394      1.00000
    100      -4.3398      1.00000
    101      -4.3173      1.00000
    102      -4.3163      1.00000
    103      -4.1155      1.00000
    104      -3.9128      1.00000
    105      -3.9016      1.00000
    106      -3.8363      1.00000
    107      -1.6808      0.00000
    108      -1.6680      0.00000
    109      -1.5364      0.00000
    110      -1.5346      0.00000
    111      -1.5214      0.00000
    112      -1.5087      0.00000
    113      -0.5816      0.00000
    114       0.1341      0.00000
    115       0.2056      0.00000
    116       0.3250      0.00000
    117       0.3272      0.00000
    118       0.3344      0.00000
    119       0.4982      0.00000
    120       0.5977      0.00000
    121       1.2604      0.00000
    122       1.2770      0.00000
    123       1.5300      0.00000
    124       1.7955      0.00000
    125       1.8051      0.00000
    126       1.8085      0.00000
    127       1.8134      0.00000
    128       1.9458      0.00000
    129       1.9812      0.00000
    130       2.0322      0.00000
    131       2.0456      0.00000
    132       2.0508      0.00000
    133       2.0557      0.00000
    134       2.0616      0.00000
    135       2.3095      0.00000
    136       2.3239      0.00000
    137       2.6156      0.00000
    138       2.6235      0.00000
    139       2.6526      0.00000
    140       2.7307      0.00000
    141       2.8634      0.00000
    142       3.0251      0.00000
    143       3.0538      0.00000
    144       3.0866      0.00000
    145       3.1017      0.00000
    146       3.1019      0.00000
    147       3.1029      0.00000
    148       3.2365      0.00000
    149       3.4518      0.00000
    150       3.5414      0.00000
    151       3.7847      0.00000
    152       3.9444      0.00000
    153       3.9484      0.00000
    154       3.9582      0.00000
    155       3.9634      0.00000
    156       3.9987      0.00000
    157       4.1849      0.00000
    158       4.2727      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     -22.3189      1.00000
      2     -21.7604      1.00000
      3     -21.5697      1.00000
      4     -21.5368      1.00000
      5     -21.2069      1.00000
      6     -21.1619      1.00000
      7     -20.9862      1.00000
      8     -20.1009      1.00000
      9     -20.0566      1.00000
     10     -19.5456      1.00000
     11     -19.5206      1.00000
     12     -19.3482      1.00000
     13     -19.0240      1.00000
     14     -18.9887      1.00000
     15     -18.9805      1.00000
     16     -18.9682      1.00000
     17     -18.2966      1.00000
     18     -18.2771      1.00000
     19     -17.9512      1.00000
     20     -17.0092      1.00000
     21     -16.9588      1.00000
     22     -16.8777      1.00000
     23     -16.8680      1.00000
     24     -16.4042      1.00000
     25     -16.3894      1.00000
     26     -15.5511      1.00000
     27     -15.5350      1.00000
     28     -15.1971      1.00000
     29     -15.1682      1.00000
     30     -15.1139      1.00000
     31     -15.0268      1.00000
     32     -15.0021      1.00000
     33     -14.6356      1.00000
     34     -14.6236      1.00000
     35     -13.6668      1.00000
     36     -13.6512      1.00000
     37     -13.1689      1.00000
     38     -12.5506      1.00000
     39     -12.5172      1.00000
     40     -12.3903      1.00000
     41     -12.3770      1.00000
     42     -12.0570      1.00000
     43     -12.0337      1.00000
     44     -11.6589      1.00000
     45     -11.6163      1.00000
     46     -11.1806      1.00000
     47     -11.1563      1.00000
     48     -10.9648      1.00000
     49     -10.9399      1.00000
     50     -10.8734      1.00000
     51     -10.8365      1.00000
     52     -10.6035      1.00000
     53     -10.0934      1.00000
     54     -10.0880      1.00000
     55     -10.0465      1.00000
     56      -9.9711      1.00000
     57      -9.6539      1.00000
     58      -9.6288      1.00000
     59      -9.5911      1.00000
     60      -9.5293      1.00000
     61      -9.5101      1.00000
     62      -9.4779      1.00000
     63      -9.2648      1.00000
     64      -9.2407      1.00000
     65      -9.2205      1.00000
     66      -9.1654      1.00000
     67      -9.0677      1.00000
     68      -9.0462      1.00000
     69      -9.0401      1.00000
     70      -8.8824      1.00000
     71      -8.8057      1.00000
     72      -8.5803      1.00000
     73      -8.5219      1.00000
     74      -8.4651      1.00000
     75      -8.0348      1.00000
     76      -7.8125      1.00000
     77      -7.8065      1.00000
     78      -7.7923      1.00000
     79      -7.6994      1.00000
     80      -7.6902      1.00000
     81      -7.3613      1.00000
     82      -7.2741      1.00000
     83      -7.2638      1.00000
     84      -7.2146      1.00000
     85      -7.1718      1.00000
     86      -7.0075      1.00000
     87      -6.9467      1.00000
     88      -6.7470      1.00000
     89      -6.6718      1.00000
     90      -6.5932      1.00000
     91      -6.5584      1.00000
     92      -6.0503      1.00000
     93      -6.0474      1.00000
     94      -6.0214      1.00000
     95      -5.9578      1.00000
     96      -5.7357      1.00000
     97      -5.1589      1.00000
     98      -4.9898      1.00000
     99      -4.7183      1.00000
    100      -4.6102      1.00000
    101      -4.4403      1.00000
    102      -4.3737      1.00000
    103      -4.1225      1.00000
    104      -3.8681      1.00000
    105      -3.8359      1.00000
    106      -3.7906      1.00000
    107      -1.7851      0.00000
    108      -1.7379      0.00000
    109      -1.3937      0.00000
    110      -1.3457      0.00000
    111      -1.2635      0.00000
    112      -1.2255      0.00000
    113      -0.7434      0.00000
    114      -0.3777      0.00000
    115      -0.2198      0.00000
    116      -0.0162      0.00000
    117       0.5919      0.00000
    118       0.7372      0.00000
    119       0.7642      0.00000
    120       1.0503      0.00000
    121       1.1418      0.00000
    122       1.2515      0.00000
    123       1.2739      0.00000
    124       1.4165      0.00000
    125       1.4810      0.00000
    126       1.5888      0.00000
    127       1.7584      0.00000
    128       1.8413      0.00000
    129       1.8967      0.00000
    130       1.9600      0.00000
    131       2.1088      0.00000
    132       2.2386      0.00000
    133       2.2508      0.00000
    134       2.2986      0.00000
    135       2.4894      0.00000
    136       2.6178      0.00000
    137       2.6388      0.00000
    138       2.7690      0.00000
    139       2.8026      0.00000
    140       2.8568      0.00000
    141       2.8680      0.00000
    142       2.8929      0.00000
    143       2.9605      0.00000
    144       3.0866      0.00000
    145       3.2837      0.00000
    146       3.3102      0.00000
    147       3.3750      0.00000
    148       3.4083      0.00000
    149       3.4691      0.00000
    150       3.5904      0.00000
    151       3.6385      0.00000
    152       3.6708      0.00000
    153       3.7084      0.00000
    154       3.9094      0.00000
    155       3.9455      0.00000
    156       3.9839      0.00000
    157       4.0893      0.00000
    158       4.2067      0.00000
    159       4.2455      0.00000
    160       4.3006      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2133      1.00000
      2     -22.0070      1.00000
      3     -21.6484      1.00000
      4     -21.6112      1.00000
      5     -20.9122      1.00000
      6     -20.8656      1.00000
      7     -20.5449      1.00000
      8     -20.5053      1.00000
      9     -20.4950      1.00000
     10     -19.9627      1.00000
     11     -19.4418      1.00000
     12     -19.4144      1.00000
     13     -19.2408      1.00000
     14     -19.2262      1.00000
     15     -18.3835      1.00000
     16     -18.3390      1.00000
     17     -17.8594      1.00000
     18     -17.8381      1.00000
     19     -17.6973      1.00000
     20     -17.6544      1.00000
     21     -17.3714      1.00000
     22     -17.3552      1.00000
     23     -17.2736      1.00000
     24     -16.4007      1.00000
     25     -16.3857      1.00000
     26     -15.8957      1.00000
     27     -15.3520      1.00000
     28     -15.3364      1.00000
     29     -15.0341      1.00000
     30     -15.0201      1.00000
     31     -14.7991      1.00000
     32     -14.7740      1.00000
     33     -14.2212      1.00000
     34     -14.1892      1.00000
     35     -13.3705      1.00000
     36     -13.3366      1.00000
     37     -13.1194      1.00000
     38     -13.1017      1.00000
     39     -12.9156      1.00000
     40     -12.9019      1.00000
     41     -12.5564      1.00000
     42     -12.5380      1.00000
     43     -12.1326      1.00000
     44     -11.5218      1.00000
     45     -11.4732      1.00000
     46     -11.2534      1.00000
     47     -11.2192      1.00000
     48     -11.0792      1.00000
     49     -10.6611      1.00000
     50     -10.5882      1.00000
     51     -10.5238      1.00000
     52     -10.2571      1.00000
     53     -10.2484      1.00000
     54     -10.1226      1.00000
     55     -10.0482      1.00000
     56     -10.0404      1.00000
     57      -9.7704      1.00000
     58      -9.7048      1.00000
     59      -9.6794      1.00000
     60      -9.6298      1.00000
     61      -9.6255      1.00000
     62      -9.5870      1.00000
     63      -9.2943      1.00000
     64      -9.2847      1.00000
     65      -9.2530      1.00000
     66      -9.0912      1.00000
     67      -8.8966      1.00000
     68      -8.8827      1.00000
     69      -8.7242      1.00000
     70      -8.5908      1.00000
     71      -8.5136      1.00000
     72      -8.3304      1.00000
     73      -8.3022      1.00000
     74      -8.2641      1.00000
     75      -8.2319      1.00000
     76      -8.1944      1.00000
     77      -8.1854      1.00000
     78      -8.1703      1.00000
     79      -8.1061      1.00000
     80      -7.6883      1.00000
     81      -7.3546      1.00000
     82      -7.3097      1.00000
     83      -7.2636      1.00000
     84      -7.1871      1.00000
     85      -7.1241      1.00000
     86      -7.0762      1.00000
     87      -6.9065      1.00000
     88      -6.8818      1.00000
     89      -6.5489      1.00000
     90      -6.4920      1.00000
     91      -6.2094      1.00000
     92      -6.0700      1.00000
     93      -5.9418      1.00000
     94      -5.7159      1.00000
     95      -5.6323      1.00000
     96      -5.4521      1.00000
     97      -5.3050      1.00000
     98      -5.2334      1.00000
     99      -5.1513      1.00000
    100      -5.1510      1.00000
    101      -4.5246      1.00000
    102      -4.4708      1.00000
    103      -4.1437      1.00000
    104      -3.8390      1.00000
    105      -3.7572      1.00000
    106      -3.6792      1.00000
    107      -1.8709      0.00000
    108      -1.8233      0.00000
    109      -1.2759      0.00000
    110      -1.0358      0.00000
    111      -1.0112      0.00000
    112      -0.7112      0.00000
    113      -0.6396      0.00000
    114      -0.5879      0.00000
    115      -0.5456      0.00000
    116      -0.1987      0.00000
    117       0.2530      0.00000
    118       0.2789      0.00000
    119       0.7624      0.00000
    120       0.9471      0.00000
    121       1.1331      0.00000
    122       1.2273      0.00000
    123       1.3218      0.00000
    124       1.4142      0.00000
    125       1.6025      0.00000
    126       1.6342      0.00000
    127       1.7035      0.00000
    128       1.8252      0.00000
    129       1.9226      0.00000
    130       2.0149      0.00000
    131       2.1090      0.00000
    132       2.3311      0.00000
    133       2.3968      0.00000
    134       2.4352      0.00000
    135       2.5444      0.00000
    136       2.6354      0.00000
    137       2.7561      0.00000
    138       2.8239      0.00000
    139       2.8348      0.00000
    140       2.8889      0.00000
    141       3.0440      0.00000
    142       3.0918      0.00000
    143       3.1895      0.00000
    144       3.2424      0.00000
    145       3.3906      0.00000
    146       3.4241      0.00000
    147       3.4843      0.00000
    148       3.5765      0.00000
    149       3.6031      0.00000
    150       3.6283      0.00000
    151       3.6529      0.00000
    152       3.7442      0.00000
    153       3.7738      0.00000
    154       3.7904      0.00000
    155       3.8082      0.00000
    156       3.9000      0.00000
    157       3.9798      0.00000
    158       4.0142      0.00000
    159       4.1793      0.00000
    160       4.2405      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2471      1.00000
      2     -21.8928      1.00000
      3     -21.8221      1.00000
      4     -21.3108      1.00000
      5     -21.2805      1.00000
      6     -20.7696      1.00000
      7     -20.7036      1.00000
      8     -20.5552      1.00000
      9     -20.0079      1.00000
     10     -20.0006      1.00000
     11     -19.6469      1.00000
     12     -19.6226      1.00000
     13     -18.9286      1.00000
     14     -18.9202      1.00000
     15     -18.5697      1.00000
     16     -18.5559      1.00000
     17     -18.3929      1.00000
     18     -17.6144      1.00000
     19     -17.5577      1.00000
     20     -17.5525      1.00000
     21     -17.5109      1.00000
     22     -17.0550      1.00000
     23     -17.0373      1.00000
     24     -16.8907      1.00000
     25     -15.9289      1.00000
     26     -15.8665      1.00000
     27     -15.5156      1.00000
     28     -15.5145      1.00000
     29     -15.2277      1.00000
     30     -14.7937      1.00000
     31     -14.7663      1.00000
     32     -14.5146      1.00000
     33     -14.4701      1.00000
     34     -14.1012      1.00000
     35     -14.0898      1.00000
     36     -13.0756      1.00000
     37     -13.0322      1.00000
     38     -12.9659      1.00000
     39     -12.9538      1.00000
     40     -12.6445      1.00000
     41     -12.6379      1.00000
     42     -12.2734      1.00000
     43     -12.2418      1.00000
     44     -11.5876      1.00000
     45     -11.5600      1.00000
     46     -11.5056      1.00000
     47     -10.9049      1.00000
     48     -10.8502      1.00000
     49     -10.6231      1.00000
     50     -10.5585      1.00000
     51     -10.4839      1.00000
     52     -10.4329      1.00000
     53     -10.4228      1.00000
     54     -10.3704      1.00000
     55     -10.2928      1.00000
     56     -10.0656      1.00000
     57      -9.8323      1.00000
     58      -9.5478      1.00000
     59      -9.4871      1.00000
     60      -9.4731      1.00000
     61      -9.3456      1.00000
     62      -9.3300      1.00000
     63      -9.3094      1.00000
     64      -9.3073      1.00000
     65      -9.2136      1.00000
     66      -9.1117      1.00000
     67      -9.0803      1.00000
     68      -9.0488      1.00000
     69      -8.8503      1.00000
     70      -8.7923      1.00000
     71      -8.7736      1.00000
     72      -8.5262      1.00000
     73      -8.4762      1.00000
     74      -8.2254      1.00000
     75      -8.1102      1.00000
     76      -8.0987      1.00000
     77      -7.8080      1.00000
     78      -7.7832      1.00000
     79      -7.7807      1.00000
     80      -7.6739      1.00000
     81      -7.6310      1.00000
     82      -7.6299      1.00000
     83      -7.3990      1.00000
     84      -7.3240      1.00000
     85      -7.1966      1.00000
     86      -6.8389      1.00000
     87      -6.8288      1.00000
     88      -6.6627      1.00000
     89      -6.5378      1.00000
     90      -6.3441      1.00000
     91      -6.3073      1.00000
     92      -6.1836      1.00000
     93      -6.1473      1.00000
     94      -5.9766      1.00000
     95      -5.5715      1.00000
     96      -5.4254      1.00000
     97      -5.2579      1.00000
     98      -5.2530      1.00000
     99      -5.1484      1.00000
    100      -4.6954      1.00000
    101      -4.6644      1.00000
    102      -4.3490      1.00000
    103      -4.3171      1.00000
    104      -3.9650      1.00000
    105      -3.8327      1.00000
    106      -3.3889      1.00000
    107      -2.2199      0.00000
    108      -1.3766      0.00000
    109      -1.2856      0.00000
    110      -1.1725      0.00000
    111      -1.0770      0.00000
    112      -0.8933      0.00000
    113      -0.7675      0.00000
    114      -0.7568      0.00000
    115      -0.2139      0.00000
    116       0.1138      0.00000
    117       0.2640      0.00000
    118       0.3462      0.00000
    119       0.7360      0.00000
    120       0.9039      0.00000
    121       0.9726      0.00000
    122       1.0960      0.00000
    123       1.2111      0.00000
    124       1.5311      0.00000
    125       1.5658      0.00000
    126       1.7181      0.00000
    127       1.8392      0.00000
    128       1.8629      0.00000
    129       1.9711      0.00000
    130       2.0022      0.00000
    131       2.1608      0.00000
    132       2.2711      0.00000
    133       2.4579      0.00000
    134       2.4705      0.00000
    135       2.5071      0.00000
    136       2.6664      0.00000
    137       2.6873      0.00000
    138       2.7346      0.00000
    139       2.7459      0.00000
    140       2.8962      0.00000
    141       3.0246      0.00000
    142       3.0852      0.00000
    143       3.1946      0.00000
    144       3.2561      0.00000
    145       3.2610      0.00000
    146       3.2718      0.00000
    147       3.3630      0.00000
    148       3.4862      0.00000
    149       3.5319      0.00000
    150       3.6995      0.00000
    151       3.7621      0.00000
    152       3.7707      0.00000
    153       3.8369      0.00000
    154       3.8835      0.00000
    155       3.9459      0.00000
    156       3.9849      0.00000
    157       4.0240      0.00000
    158       4.0521      0.00000
    159       4.0577      0.00000
    160       4.1241      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1412      1.00000
      2     -22.0458      1.00000
      3     -21.8857      1.00000
      4     -21.3338      1.00000
      5     -20.9810      1.00000
      6     -20.9423      1.00000
      7     -20.4326      1.00000
      8     -20.3898      1.00000
      9     -20.2257      1.00000
     10     -20.2042      1.00000
     11     -19.8883      1.00000
     12     -19.8206      1.00000
     13     -18.8142      1.00000
     14     -18.7429      1.00000
     15     -18.2893      1.00000
     16     -18.2356      1.00000
     17     -18.0851      1.00000
     18     -18.0649      1.00000
     19     -17.7608      1.00000
     20     -17.7183      1.00000
     21     -17.1881      1.00000
     22     -17.1693      1.00000
     23     -17.0989      1.00000
     24     -17.0631      1.00000
     25     -16.0371      1.00000
     26     -15.8223      1.00000
     27     -15.7989      1.00000
     28     -15.7640      1.00000
     29     -15.1731      1.00000
     30     -14.4906      1.00000
     31     -14.4577      1.00000
     32     -14.2173      1.00000
     33     -13.8944      1.00000
     34     -13.8896      1.00000
     35     -13.7554      1.00000
     36     -13.7353      1.00000
     37     -13.5511      1.00000
     38     -13.5024      1.00000
     39     -13.2991      1.00000
     40     -12.5636      1.00000
     41     -12.1250      1.00000
     42     -12.0654      1.00000
     43     -12.0095      1.00000
     44     -11.9507      1.00000
     45     -11.6106      1.00000
     46     -11.5875      1.00000
     47     -11.0853      1.00000
     48     -11.0513      1.00000
     49     -10.7536      1.00000
     50     -10.6633      1.00000
     51     -10.5279      1.00000
     52     -10.1482      1.00000
     53     -10.1378      1.00000
     54     -10.0952      1.00000
     55      -9.9525      1.00000
     56      -9.9472      1.00000
     57      -9.9165      1.00000
     58      -9.7374      1.00000
     59      -9.7305      1.00000
     60      -9.7003      1.00000
     61      -9.6902      1.00000
     62      -9.4308      1.00000
     63      -9.3628      1.00000
     64      -9.0880      1.00000
     65      -9.0062      1.00000
     66      -8.9740      1.00000
     67      -8.8874      1.00000
     68      -8.8104      1.00000
     69      -8.6582      1.00000
     70      -8.6345      1.00000
     71      -8.5807      1.00000
     72      -8.4778      1.00000
     73      -8.4674      1.00000
     74      -8.3977      1.00000
     75      -8.3937      1.00000
     76      -8.1831      1.00000
     77      -8.1156      1.00000
     78      -7.9763      1.00000
     79      -7.9168      1.00000
     80      -7.8464      1.00000
     81      -7.6187      1.00000
     82      -7.5297      1.00000
     83      -7.4685      1.00000
     84      -7.2522      1.00000
     85      -6.9342      1.00000
     86      -6.8572      1.00000
     87      -6.8105      1.00000
     88      -6.5755      1.00000
     89      -6.4667      1.00000
     90      -6.4199      1.00000
     91      -6.3558      1.00000
     92      -6.0523      1.00000
     93      -5.8778      1.00000
     94      -5.7526      1.00000
     95      -5.7209      1.00000
     96      -5.4772      1.00000
     97      -5.3459      1.00000
     98      -5.1796      1.00000
     99      -5.1554      1.00000
    100      -5.1540      1.00000
    101      -4.7078      1.00000
    102      -4.4411      1.00000
    103      -4.2571      1.00000
    104      -3.9967      1.00000
    105      -3.8315      1.00000
    106      -3.1554      1.00000
    107      -2.4626      0.00000
    108      -1.3777      0.00000
    109      -1.2410      0.00000
    110      -1.1456      0.00000
    111      -1.1140      0.00000
    112      -0.5618      0.00000
    113      -0.4342      0.00000
    114      -0.4288      0.00000
    115      -0.3098      0.00000
    116      -0.1889      0.00000
    117       0.0623      0.00000
    118       0.1185      0.00000
    119       0.5407      0.00000
    120       0.6846      0.00000
    121       0.8731      0.00000
    122       0.9703      0.00000
    123       1.1133      0.00000
    124       1.4975      0.00000
    125       1.6642      0.00000
    126       1.8069      0.00000
    127       1.8792      0.00000
    128       2.0955      0.00000
    129       2.1403      0.00000
    130       2.1986      0.00000
    131       2.2154      0.00000
    132       2.3405      0.00000
    133       2.3633      0.00000
    134       2.4892      0.00000
    135       2.5818      0.00000
    136       2.6707      0.00000
    137       2.8804      0.00000
    138       2.9384      0.00000
    139       2.9679      0.00000
    140       2.9948      0.00000
    141       3.0438      0.00000
    142       3.1525      0.00000
    143       3.1819      0.00000
    144       3.2480      0.00000
    145       3.2926      0.00000
    146       3.3340      0.00000
    147       3.3507      0.00000
    148       3.3811      0.00000
    149       3.4169      0.00000
    150       3.4985      0.00000
    151       3.5574      0.00000
    152       3.6360      0.00000
    153       3.6964      0.00000
    154       3.7113      0.00000
    155       3.7288      0.00000
    156       3.9222      0.00000
    157       3.9377      0.00000
    158       4.0614      0.00000
    159       4.0927      0.00000
    160       4.2055      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2469      1.00000
      2     -21.8943      1.00000
      3     -21.8206      1.00000
      4     -21.3154      1.00000
      5     -21.2764      1.00000
      6     -20.7707      1.00000
      7     -20.7016      1.00000
      8     -20.5537      1.00000
      9     -20.0220      1.00000
     10     -19.9895      1.00000
     11     -19.6495      1.00000
     12     -19.6183      1.00000
     13     -18.9427      1.00000
     14     -18.9077      1.00000
     15     -18.5832      1.00000
     16     -18.5457      1.00000
     17     -18.3913      1.00000
     18     -17.6014      1.00000
     19     -17.5699      1.00000
     20     -17.5403      1.00000
     21     -17.5076      1.00000
     22     -17.0738      1.00000
     23     -17.0267      1.00000
     24     -16.8992      1.00000
     25     -15.9447      1.00000
     26     -15.8503      1.00000
     27     -15.5326      1.00000
     28     -15.5057      1.00000
     29     -15.2086      1.00000
     30     -14.8132      1.00000
     31     -14.7605      1.00000
     32     -14.5090      1.00000
     33     -14.4671      1.00000
     34     -14.0954      1.00000
     35     -14.0924      1.00000
     36     -13.1044      1.00000
     37     -13.0289      1.00000
     38     -12.9560      1.00000
     39     -12.9488      1.00000
     40     -12.6554      1.00000
     41     -12.6266      1.00000
     42     -12.2734      1.00000
     43     -12.2463      1.00000
     44     -11.5726      1.00000
     45     -11.5529      1.00000
     46     -11.4998      1.00000
     47     -10.8780      1.00000
     48     -10.8684      1.00000
     49     -10.6847      1.00000
     50     -10.5247      1.00000
     51     -10.5196      1.00000
     52     -10.4327      1.00000
     53     -10.4150      1.00000
     54     -10.3693      1.00000
     55     -10.2872      1.00000
     56     -10.0609      1.00000
     57      -9.8311      1.00000
     58      -9.5593      1.00000
     59      -9.4839      1.00000
     60      -9.4457      1.00000
     61      -9.3549      1.00000
     62      -9.3385      1.00000
     63      -9.3071      1.00000
     64      -9.3015      1.00000
     65      -9.2054      1.00000
     66      -9.0988      1.00000
     67      -9.0675      1.00000
     68      -9.0485      1.00000
     69      -8.8538      1.00000
     70      -8.7959      1.00000
     71      -8.7778      1.00000
     72      -8.5264      1.00000
     73      -8.4980      1.00000
     74      -8.2305      1.00000
     75      -8.1290      1.00000
     76      -8.0924      1.00000
     77      -7.8063      1.00000
     78      -7.7668      1.00000
     79      -7.7383      1.00000
     80      -7.7044      1.00000
     81      -7.6352      1.00000
     82      -7.6238      1.00000
     83      -7.3868      1.00000
     84      -7.3434      1.00000
     85      -7.2164      1.00000
     86      -6.8430      1.00000
     87      -6.8196      1.00000
     88      -6.6404      1.00000
     89      -6.5285      1.00000
     90      -6.3409      1.00000
     91      -6.2724      1.00000
     92      -6.1950      1.00000
     93      -6.1310      1.00000
     94      -6.0212      1.00000
     95      -5.6386      1.00000
     96      -5.5079      1.00000
     97      -5.2973      1.00000
     98      -5.1554      1.00000
     99      -5.0396      1.00000
    100      -4.7270      1.00000
    101      -4.6848      1.00000
    102      -4.3678      1.00000
    103      -4.1867      1.00000
    104      -4.0098      1.00000
    105      -3.8310      1.00000
    106      -3.4835      1.00000
    107      -2.1637      0.00000
    108      -1.3824      0.00000
    109      -1.2354      0.00000
    110      -1.1841      0.00000
    111      -1.0133      0.00000
    112      -0.9555      0.00000
    113      -0.7970      0.00000
    114      -0.7515      0.00000
    115      -0.3621      0.00000
    116       0.2453      0.00000
    117       0.2771      0.00000
    118       0.3657      0.00000
    119       0.7022      0.00000
    120       0.8694      0.00000
    121       0.9660      0.00000
    122       1.1286      0.00000
    123       1.2380      0.00000
    124       1.4575      0.00000
    125       1.5586      0.00000
    126       1.7838      0.00000
    127       1.8517      0.00000
    128       1.8843      0.00000
    129       1.9893      0.00000
    130       2.0336      0.00000
    131       2.1988      0.00000
    132       2.2144      0.00000
    133       2.4052      0.00000
    134       2.4545      0.00000
    135       2.5544      0.00000
    136       2.6587      0.00000
    137       2.6853      0.00000
    138       2.7307      0.00000
    139       2.7703      0.00000
    140       2.8582      0.00000
    141       2.9685      0.00000
    142       3.0841      0.00000
    143       3.1902      0.00000
    144       3.2433      0.00000
    145       3.2598      0.00000
    146       3.2974      0.00000
    147       3.3353      0.00000
    148       3.4857      0.00000
    149       3.5125      0.00000
    150       3.7167      0.00000
    151       3.7264      0.00000
    152       3.7706      0.00000
    153       3.8642      0.00000
    154       3.8763      0.00000
    155       3.9009      0.00000
    156       3.9989      0.00000
    157       4.0006      0.00000
    158       4.0542      0.00000
    159       4.0663      0.00000
    160       4.0930      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3189      1.00000
      2     -21.7608      1.00000
      3     -21.5670      1.00000
      4     -21.5397      1.00000
      5     -21.2042      1.00000
      6     -21.1652      1.00000
      7     -20.9849      1.00000
      8     -20.0980      1.00000
      9     -20.0589      1.00000
     10     -19.5455      1.00000
     11     -19.5253      1.00000
     12     -19.3441      1.00000
     13     -19.0274      1.00000
     14     -18.9873      1.00000
     15     -18.9767      1.00000
     16     -18.9710      1.00000
     17     -18.2952      1.00000
     18     -18.2816      1.00000
     19     -17.9456      1.00000
     20     -17.0002      1.00000
     21     -16.9589      1.00000
     22     -16.8818      1.00000
     23     -16.8689      1.00000
     24     -16.4154      1.00000
     25     -16.3924      1.00000
     26     -15.5401      1.00000
     27     -15.5366      1.00000
     28     -15.1722      1.00000
     29     -15.1707      1.00000
     30     -15.1305      1.00000
     31     -15.0357      1.00000
     32     -15.0002      1.00000
     33     -14.6328      1.00000
     34     -14.6256      1.00000
     35     -13.6623      1.00000
     36     -13.6521      1.00000
     37     -13.1705      1.00000
     38     -12.5730      1.00000
     39     -12.5126      1.00000
     40     -12.3850      1.00000
     41     -12.3844      1.00000
     42     -12.0350      1.00000
     43     -12.0305      1.00000
     44     -11.6543      1.00000
     45     -11.6138      1.00000
     46     -11.2067      1.00000
     47     -11.1565      1.00000
     48     -10.9549      1.00000
     49     -10.9417      1.00000
     50     -10.8599      1.00000
     51     -10.8273      1.00000
     52     -10.6266      1.00000
     53     -10.1475      1.00000
     54     -10.0836      1.00000
     55     -10.0246      1.00000
     56      -9.9460      1.00000
     57      -9.6310      1.00000
     58      -9.6290      1.00000
     59      -9.6025      1.00000
     60      -9.5406      1.00000
     61      -9.5023      1.00000
     62      -9.4778      1.00000
     63      -9.2733      1.00000
     64      -9.2348      1.00000
     65      -9.2067      1.00000
     66      -9.1789      1.00000
     67      -9.0615      1.00000
     68      -9.0465      1.00000
     69      -9.0427      1.00000
     70      -8.8765      1.00000
     71      -8.8079      1.00000
     72      -8.5396      1.00000
     73      -8.5326      1.00000
     74      -8.5047      1.00000
     75      -8.0307      1.00000
     76      -7.8315      1.00000
     77      -7.8020      1.00000
     78      -7.7733      1.00000
     79      -7.7027      1.00000
     80      -7.6840      1.00000
     81      -7.4107      1.00000
     82      -7.2876      1.00000
     83      -7.2511      1.00000
     84      -7.2025      1.00000
     85      -7.0822      1.00000
     86      -7.0728      1.00000
     87      -6.9371      1.00000
     88      -6.7118      1.00000
     89      -6.6739      1.00000
     90      -6.6282      1.00000
     91      -6.5564      1.00000
     92      -6.0715      1.00000
     93      -6.0311      1.00000
     94      -6.0012      1.00000
     95      -5.9360      1.00000
     96      -5.8009      1.00000
     97      -5.1831      1.00000
     98      -4.8956      1.00000
     99      -4.7934      1.00000
    100      -4.6103      1.00000
    101      -4.5119      1.00000
    102      -4.1401      1.00000
    103      -4.0926      1.00000
    104      -3.9308      1.00000
    105      -3.9163      1.00000
    106      -3.8300      1.00000
    107      -1.7512      0.00000
    108      -1.6952      0.00000
    109      -1.4095      0.00000
    110      -1.3709      0.00000
    111      -1.2638      0.00000
    112      -1.2354      0.00000
    113      -0.6207      0.00000
    114      -0.5980      0.00000
    115      -0.1900      0.00000
    116       0.0449      0.00000
    117       0.5854      0.00000
    118       0.7408      0.00000
    119       0.8509      0.00000
    120       0.9292      0.00000
    121       1.1680      0.00000
    122       1.2121      0.00000
    123       1.2481      0.00000
    124       1.4219      0.00000
    125       1.6006      0.00000
    126       1.6417      0.00000
    127       1.7064      0.00000
    128       1.8065      0.00000
    129       1.9233      0.00000
    130       1.9404      0.00000
    131       2.1519      0.00000
    132       2.1747      0.00000
    133       2.2625      0.00000
    134       2.3037      0.00000
    135       2.5446      0.00000
    136       2.5625      0.00000
    137       2.6373      0.00000
    138       2.7618      0.00000
    139       2.8121      0.00000
    140       2.8469      0.00000
    141       2.8941      0.00000
    142       2.9456      0.00000
    143       3.0182      0.00000
    144       3.0305      0.00000
    145       3.0914      0.00000
    146       3.3175      0.00000
    147       3.3707      0.00000
    148       3.4175      0.00000
    149       3.4812      0.00000
    150       3.6059      0.00000
    151       3.6576      0.00000
    152       3.6669      0.00000
    153       3.6803      0.00000
    154       3.8956      0.00000
    155       3.9827      0.00000
    156       4.0306      0.00000
    157       4.0757      0.00000
    158       4.2382      0.00000
    159       4.2583      0.00000
    160       4.2724      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1403      1.00000
      2     -22.0473      1.00000
      3     -21.8852      1.00000
      4     -21.3347      1.00000
      5     -20.9759      1.00000
      6     -20.9465      1.00000
      7     -20.4273      1.00000
      8     -20.3952      1.00000
      9     -20.2152      1.00000
     10     -20.2135      1.00000
     11     -19.8871      1.00000
     12     -19.8231      1.00000
     13     -18.8171      1.00000
     14     -18.7460      1.00000
     15     -18.2652      1.00000
     16     -18.2512      1.00000
     17     -18.0795      1.00000
     18     -18.0730      1.00000
     19     -17.7452      1.00000
     20     -17.7295      1.00000
     21     -17.1943      1.00000
     22     -17.1708      1.00000
     23     -17.0883      1.00000
     24     -17.0671      1.00000
     25     -16.0533      1.00000
     26     -15.8076      1.00000
     27     -15.7982      1.00000
     28     -15.7770      1.00000
     29     -15.1587      1.00000
     30     -14.4850      1.00000
     31     -14.4635      1.00000
     32     -14.2037      1.00000
     33     -13.9163      1.00000
     34     -13.8860      1.00000
     35     -13.7587      1.00000
     36     -13.7381      1.00000
     37     -13.5357      1.00000
     38     -13.5098      1.00000
     39     -13.3006      1.00000
     40     -12.5761      1.00000
     41     -12.1007      1.00000
     42     -12.0766      1.00000
     43     -11.9980      1.00000
     44     -11.9500      1.00000
     45     -11.6056      1.00000
     46     -11.5976      1.00000
     47     -11.0845      1.00000
     48     -11.0607      1.00000
     49     -10.7321      1.00000
     50     -10.6635      1.00000
     51     -10.5618      1.00000
     52     -10.1394      1.00000
     53     -10.1347      1.00000
     54     -10.1000      1.00000
     55      -9.9658      1.00000
     56      -9.9248      1.00000
     57      -9.9206      1.00000
     58      -9.7509      1.00000
     59      -9.7286      1.00000
     60      -9.6969      1.00000
     61      -9.6944      1.00000
     62      -9.4022      1.00000
     63      -9.3886      1.00000
     64      -9.0705      1.00000
     65      -8.9817      1.00000
     66      -8.9810      1.00000
     67      -8.9059      1.00000
     68      -8.8112      1.00000
     69      -8.6499      1.00000
     70      -8.6334      1.00000
     71      -8.5512      1.00000
     72      -8.5016      1.00000
     73      -8.4819      1.00000
     74      -8.3940      1.00000
     75      -8.3817      1.00000
     76      -8.2096      1.00000
     77      -8.1030      1.00000
     78      -8.0068      1.00000
     79      -7.9022      1.00000
     80      -7.8441      1.00000
     81      -7.6215      1.00000
     82      -7.5327      1.00000
     83      -7.4560      1.00000
     84      -7.2494      1.00000
     85      -6.9426      1.00000
     86      -6.8688      1.00000
     87      -6.8092      1.00000
     88      -6.4773      1.00000
     89      -6.4686      1.00000
     90      -6.4084      1.00000
     91      -6.3592      1.00000
     92      -6.1935      1.00000
     93      -5.8576      1.00000
     94      -5.7369      1.00000
     95      -5.7106      1.00000
     96      -5.5245      1.00000
     97      -5.3284      1.00000
     98      -5.1718      1.00000
     99      -5.1669      1.00000
    100      -5.1334      1.00000
    101      -4.6954      1.00000
    102      -4.3481      1.00000
    103      -4.2830      1.00000
    104      -4.0300      1.00000
    105      -3.8325      1.00000
    106      -3.2326      1.00000
    107      -2.4044      0.00000
    108      -1.3441      0.00000
    109      -1.2435      0.00000
    110      -1.1526      0.00000
    111      -1.1080      0.00000
    112      -0.5806      0.00000
    113      -0.5216      0.00000
    114      -0.4334      0.00000
    115      -0.2747      0.00000
    116      -0.0681      0.00000
    117      -0.0098      0.00000
    118       0.0602      0.00000
    119       0.5832      0.00000
    120       0.7113      0.00000
    121       0.8116      0.00000
    122       0.9464      0.00000
    123       1.1855      0.00000
    124       1.5122      0.00000
    125       1.6222      0.00000
    126       1.8630      0.00000
    127       2.0069      0.00000
    128       2.0523      0.00000
    129       2.1161      0.00000
    130       2.1543      0.00000
    131       2.2639      0.00000
    132       2.2866      0.00000
    133       2.3490      0.00000
    134       2.4628      0.00000
    135       2.6115      0.00000
    136       2.7028      0.00000
    137       2.8219      0.00000
    138       2.9151      0.00000
    139       2.9433      0.00000
    140       3.0172      0.00000
    141       3.0508      0.00000
    142       3.1588      0.00000
    143       3.1639      0.00000
    144       3.2266      0.00000
    145       3.3004      0.00000
    146       3.3130      0.00000
    147       3.3540      0.00000
    148       3.3747      0.00000
    149       3.4188      0.00000
    150       3.4540      0.00000
    151       3.5666      0.00000
    152       3.6158      0.00000
    153       3.7030      0.00000
    154       3.7277      0.00000
    155       3.8502      0.00000
    156       3.9070      0.00000
    157       3.9336      0.00000
    158       3.9631      0.00000
    159       4.1502      0.00000
    160       4.1845      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2129      1.00000
      2     -22.0076      1.00000
      3     -21.6457      1.00000
      4     -21.6143      1.00000
      5     -20.9093      1.00000
      6     -20.8684      1.00000
      7     -20.5387      1.00000
      8     -20.5060      1.00000
      9     -20.4991      1.00000
     10     -19.9618      1.00000
     11     -19.4403      1.00000
     12     -19.4183      1.00000
     13     -19.2393      1.00000
     14     -19.2321      1.00000
     15     -18.3757      1.00000
     16     -18.3404      1.00000
     17     -17.8583      1.00000
     18     -17.8422      1.00000
     19     -17.6910      1.00000
     20     -17.6548      1.00000
     21     -17.3717      1.00000
     22     -17.3574      1.00000
     23     -17.2668      1.00000
     24     -16.4131      1.00000
     25     -16.3891      1.00000
     26     -15.9042      1.00000
     27     -15.3430      1.00000
     28     -15.3379      1.00000
     29     -15.0307      1.00000
     30     -15.0207      1.00000
     31     -14.7760      1.00000
     32     -14.7737      1.00000
     33     -14.2374      1.00000
     34     -14.1864      1.00000
     35     -13.3875      1.00000
     36     -13.3328      1.00000
     37     -13.1109      1.00000
     38     -13.1024      1.00000
     39     -12.9174      1.00000
     40     -12.9116      1.00000
     41     -12.5452      1.00000
     42     -12.5371      1.00000
     43     -12.1332      1.00000
     44     -11.5134      1.00000
     45     -11.4686      1.00000
     46     -11.2441      1.00000
     47     -11.2124      1.00000
     48     -11.0866      1.00000
     49     -10.7088      1.00000
     50     -10.5951      1.00000
     51     -10.5091      1.00000
     52     -10.2511      1.00000
     53     -10.2469      1.00000
     54     -10.1212      1.00000
     55     -10.0538      1.00000
     56     -10.0383      1.00000
     57      -9.7858      1.00000
     58      -9.6865      1.00000
     59      -9.6728      1.00000
     60      -9.6373      1.00000
     61      -9.6275      1.00000
     62      -9.5849      1.00000
     63      -9.2958      1.00000
     64      -9.2830      1.00000
     65      -9.2525      1.00000
     66      -9.0683      1.00000
     67      -8.8946      1.00000
     68      -8.8834      1.00000
     69      -8.7179      1.00000
     70      -8.5839      1.00000
     71      -8.5256      1.00000
     72      -8.3508      1.00000
     73      -8.3044      1.00000
     74      -8.2430      1.00000
     75      -8.2375      1.00000
     76      -8.1942      1.00000
     77      -8.1808      1.00000
     78      -8.1689      1.00000
     79      -8.1127      1.00000
     80      -7.6902      1.00000
     81      -7.4155      1.00000
     82      -7.3438      1.00000
     83      -7.2573      1.00000
     84      -7.1684      1.00000
     85      -7.1099      1.00000
     86      -7.0026      1.00000
     87      -6.9034      1.00000
     88      -6.8462      1.00000
     89      -6.5413      1.00000
     90      -6.4984      1.00000
     91      -6.2156      1.00000
     92      -6.2011      1.00000
     93      -5.8940      1.00000
     94      -5.6734      1.00000
     95      -5.6089      1.00000
     96      -5.5798      1.00000
     97      -5.2528      1.00000
     98      -5.2307      1.00000
     99      -5.1643      1.00000
    100      -5.1339      1.00000
    101      -4.5996      1.00000
    102      -4.2528      1.00000
    103      -4.0464      1.00000
    104      -3.8838      1.00000
    105      -3.8441      1.00000
    106      -3.8011      1.00000
    107      -1.8074      0.00000
    108      -1.7797      0.00000
    109      -1.2238      0.00000
    110      -1.1754      0.00000
    111      -0.9734      0.00000
    112      -0.7334      0.00000
    113      -0.6501      0.00000
    114      -0.5934      0.00000
    115      -0.5492      0.00000
    116      -0.1481      0.00000
    117       0.1765      0.00000
    118       0.2885      0.00000
    119       0.7070      0.00000
    120       0.9512      0.00000
    121       1.1686      0.00000
    122       1.2787      0.00000
    123       1.3489      0.00000
    124       1.5141      0.00000
    125       1.6095      0.00000
    126       1.6288      0.00000
    127       1.6927      0.00000
    128       1.7751      0.00000
    129       1.8648      0.00000
    130       2.0803      0.00000
    131       2.1690      0.00000
    132       2.3192      0.00000
    133       2.3963      0.00000
    134       2.4245      0.00000
    135       2.5588      0.00000
    136       2.6261      0.00000
    137       2.6878      0.00000
    138       2.7473      0.00000
    139       2.8185      0.00000
    140       2.9099      0.00000
    141       3.0542      0.00000
    142       3.0627      0.00000
    143       3.1861      0.00000
    144       3.2835      0.00000
    145       3.3811      0.00000
    146       3.4168      0.00000
    147       3.4626      0.00000
    148       3.5464      0.00000
    149       3.5762      0.00000
    150       3.6357      0.00000
    151       3.6659      0.00000
    152       3.7018      0.00000
    153       3.7896      0.00000
    154       3.8013      0.00000
    155       3.8271      0.00000
    156       3.8964      0.00000
    157       3.9100      0.00000
    158       3.9835      0.00000
    159       4.1909      0.00000
    160       4.2372      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0400   -7.2576    3.9852   -1.1337   -0.1859   17.3778    0.4876   -0.8139    0.7720   -0.4785
x    -3.1240   -0.0256   -0.0216   -0.0249    0.0901   -3.0534    0.0301   -0.0244    0.0085    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   204.0400    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    0.0618    0.0186
y     0.0234   -3.2427   -0.1781    0.1696   -2.4149   -0.6649
z   204.0400    1.7471    0.2950    0.0872    0.0010    0.0707   -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    0.0987    0.0006   -0.0010   -0.0001   -0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0012   -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  -16.5932
z     0.1409    0.2359   -0.0281    0.0577   -0.0951    0.0006
 total charge-density along one line
x   212.0000  -10.0888    5.9321   -1.9426   -0.4215   19.2971   -0.6618    0.2081    0.0674   -0.1084
x    -2.7038   -0.0094    0.0006   -0.0435    0.0956   -2.3446    0.0476   -0.0345    0.0119    0.0025
x    -0.0856   -0.0053    0.0082   -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  -10.0888    5.9321   -1.9426   -0.4215   19.2971   -0.6618    0.2081    0.0674   -0.1084
y    -2.7038   -0.0094    0.0006   -0.0435    0.0956   -2.3446    0.0476   -0.0345    0.0119    0.0025
y    -0.0856   -0.0053    0.0082   -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 -205.3399  188.9522 -170.2179  154.0230 -140.2242  126.2658 -110.7995   94.5728  -78.9533
z    64.6280  -51.7188   40.4784  -31.3882   24.6219  -19.6848   15.7190  -12.1263    8.8618   -6.1892
z     4.2559   -2.9246    1.9364   -1.1387    0.5325   -0.1482   -0.0646    0.2139   -0.3662    0.4998
z    -0.5562    0.5196   -0.4366    0.3675   -0.3341    0.3152   -0.2838    0.2366   -0.1899    0.1566
z    -0.1346    0.1145   -0.0922    0.0716   -0.0576    0.0499   -0.0441    0.0370   -0.0296    0.0239
z    -0.0207    0.0185   -0.0159    0.0129   -0.0103    0.0084   -0.0068    0.0053   -0.0039    0.0028
z    -0.0020    0.0012   -0.0004   -0.0002    0.0004   -0.0004    0.0004   -0.0006    0.0007   -0.0007
z     0.0004   -0.0002    0.0001    0.0000    0.0000    0.0001   -0.0002    0.0003   -0.0003    0.0003
z    -0.0003    0.0002   -0.0002    0.0001   -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0000   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.941   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  -0.026   0.000   0.002   0.021   0.000   0.057   0.000  -0.014  -0.025   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   0.258   0.000   0.000   0.000   0.160   0.000   0.106  -0.035
 -0.026   0.000   1.788   0.000   0.018   0.043   0.000   0.357   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   0.258   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   0.190  -0.052   0.000   0.115   0.000   0.000
  0.000   0.594   0.000   0.258   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   0.357   0.000  -0.035   0.101   0.000   0.569   0.000  -0.057   0.705  -0.295   0.000   0.088   0.000   0.000
  0.000   0.258   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   0.003  -0.024   0.000  -0.057   0.000   0.036  -0.108   0.030   0.000  -0.068   0.000   0.000
 -0.025   0.000  -0.233   0.000   0.010   0.190   0.000   0.705   0.000  -0.108   1.351  -0.433   0.000   0.265   0.000   0.000
  0.025   0.000  -0.044   0.000  -0.015  -0.052   0.000  -0.295   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   0.011  -0.004
 -0.001   0.000   0.096   0.000   0.003   0.115   0.000   0.088   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   0.011   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  -0.036   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  -0.040   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   8.944
  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   1.783   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   2.646
 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   1.773   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   2.645
 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   1.773   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   2.646
 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       44.831  89.434   8.027 142.292
 


 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   57.83
    FORLOC:  VPU time    1.26: CPU time    1.26
    FORNL :  VPU time  459.58: CPU time  230.15
    STRESS:  VPU time 1330.46: CPU time  669.72
    FORCOR:  VPU time    8.52: CPU time    8.52
    FORHAR:  VPU time    2.25: CPU time    2.25
    MIXING:  VPU time    0.15: CPU time    0.16
 d Force = 0.4895990E-06[ 0.486E-06, 0.493E-06]  d Energy = 0.4225149E-06 0.671E-07
 d Force = 0.1360212E-01[ 0.136E-01, 0.136E-01]  d Ewald  =-0.1598856E-01 0.296E-01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.644918 eV

  energy  without entropy=     -471.644918  energy(sigma->0) =     -471.644918
 

  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    40725.46  40741.23 -47424.41     13.66      0.00      0.00
  Hartree  40191.96  40195.06 -39444.55      2.68      0.00      0.00
  E(xc)     -779.74   -779.55   -807.26      0.17      0.00      0.00
  Local   -83210.70 -83223.47  84186.49    -11.06      0.00      0.00
  n-local   -215.77   -215.65   -203.80     -0.15      0.00      0.00
  augment     22.10     20.54     17.34     -1.35      0.00      0.00
  Kinetic   3168.71   3171.45   3582.07     -6.08      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.27     -0.23     -0.19      0.03      0.00      0.00
  in kB       -0.16     -0.14     -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
    12.347721303  0.001493027  0.000000000     0.080980951  0.046741388  0.000000000
    -6.172574294 10.694182663  0.000000000    -0.000011306  0.093502257  0.000000000
     0.000000000  0.000000000 19.976538756     0.000000000  0.000000000  0.050058722

  length of vectors
    12.347721393 12.347721096 19.976538756     0.093502255  0.093502258  0.050058722


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.499E-05 -.454E-04 -.961E+03   0.436E-05 -.275E-04 0.969E+03   0.425E-21 0.137E-23 -.783E+01   0.273E-07 -.160E-07 0.146E-03
   -.175E+02 -.303E+02 -.136E+03   0.183E+02 0.318E+02 0.139E+03   -.827E+00 -.143E+01 -.258E+01   -.174E-04 -.313E-04 -.454E-05
   0.175E+02 0.303E+02 -.136E+03   -.183E+02 -.318E+02 0.139E+03   0.827E+00 0.143E+01 -.258E+01   0.174E-04 0.313E-04 -.454E-05
   -.196E+01 0.113E+01 0.178E+02   0.197E+01 -.114E+01 -.178E+02   -.856E-02 0.494E-02 -.347E-02   0.173E-03 -.103E-03 0.132E-04
   0.578E+01 0.689E+01 0.203E+02   -.579E+01 -.692E+01 -.203E+02   0.621E-02 0.328E-01 -.205E-01   0.202E-03 -.127E-03 0.174E-04
   0.112E+02 0.504E+01 0.186E+02   -.113E+02 -.505E+01 -.185E+02   0.232E-01 0.969E-02 -.545E-01   0.165E-03 -.559E-04 -.613E-05
   0.453E+01 -.102E+01 0.163E+02   -.455E+01 0.104E+01 -.163E+02   0.193E-01 -.166E-01 -.201E-02   0.163E-03 -.101E-03 0.159E-04
   -.292E+01 -.239E+01 0.154E+02   0.294E+01 0.240E+01 -.154E+02   -.142E-01 -.146E-01 0.289E-02   0.175E-03 -.131E-03 -.717E-05
   0.606E+00 0.373E+01 0.154E+02   -.611E+00 -.375E+01 -.154E+02   0.555E-02 0.196E-01 0.289E-02   0.196E-03 -.920E-04 -.109E-04
   0.274E+01 0.182E+02 0.249E+02   -.275E+01 -.183E+02 -.249E+02   0.105E-01 0.111E+00 -.649E-02   0.179E-03 -.574E-04 -.235E-04
   0.214E+02 0.226E+02 0.397E+02   -.216E+02 -.229E+02 -.396E+02   0.117E+00 0.227E+00 -.157E-01   0.130E-03 -.148E-03 -.783E-04
   0.265E+02 -.450E+01 0.265E+02   -.268E+02 0.462E+01 -.264E+02   0.237E+00 -.119E+00 -.570E-01   0.161E-03 -.123E-03 0.361E-04
   0.915E+01 -.528E+01 0.155E+02   -.917E+01 0.529E+01 -.155E+02   0.180E-01 -.104E-01 0.520E-02   0.217E-03 -.132E-03 0.160E-04
   0.314E+01 -.341E+01 0.163E+02   -.317E+01 0.342E+01 -.163E+02   0.240E-01 -.840E-02 -.201E-02   0.167E-03 -.952E-04 0.732E-05
   -.605E+01 0.132E+02 0.199E+02   0.605E+01 -.133E+02 -.199E+02   -.602E-02 0.759E-01 -.108E-01   0.160E-03 -.907E-04 0.611E-05
   -.123E+02 0.335E+02 0.454E+02   0.124E+02 -.342E+02 -.457E+02   -.899E-01 0.681E+00 0.349E+00   0.246E-03 -.134E-03 0.856E-05
   0.265E+02 -.153E+02 0.687E+02   -.275E+02 0.159E+02 -.708E+02   0.979E+00 -.565E+00 0.210E+01   0.122E-03 -.729E-04 0.105E-03
   0.172E+02 -.207E+02 0.265E+02   -.174E+02 0.209E+02 -.264E+02   0.222E+00 -.145E+00 -.570E-01   0.185E-03 -.856E-04 0.312E-04
   0.126E+01 -.123E+02 0.186E+02   -.126E+01 0.123E+02 -.185E+02   0.320E-02 -.249E-01 -.545E-01   0.134E-03 -.116E-03 -.118E-04
   -.387E+01 0.156E+01 0.145E+02   0.388E+01 -.156E+01 -.144E+02   -.645E-02 0.258E-02 -.422E-01   0.151E-03 -.117E-03 0.810E-05
   -.182E+02 0.105E+02 0.206E+02   0.183E+02 -.106E+02 -.204E+02   -.640E-01 0.369E-01 -.129E+00   0.206E-03 -.115E-03 0.229E-04
   -.352E+02 -.612E+01 0.454E+02   0.358E+02 0.638E+01 -.457E+02   -.634E+00 -.262E+00 0.349E+00   0.242E-03 -.146E-03 0.118E-04
   -.888E+01 -.299E+02 0.397E+02   0.902E+01 0.301E+02 -.396E+02   -.139E+00 -.215E+00 -.157E-01   0.196E-03 -.430E-04 -.802E-04
   -.308E+01 -.845E+01 0.203E+02   0.310E+01 0.848E+01 -.203E+02   -.253E-01 -.218E-01 -.205E-01   0.213E-03 -.113E-03 0.167E-04
   0.126E+01 -.730E+00 0.155E+02   -.126E+01 0.729E+00 -.154E+02   -.151E-02 0.870E-03 -.271E-01   0.187E-03 -.106E-03 -.185E-04
   -.329E+01 0.257E+01 0.145E+02   0.329E+01 -.258E+01 -.144E+02   -.546E-02 0.429E-02 -.422E-01   0.179E-03 -.678E-04 0.130E-04
   -.144E+02 -.135E+01 0.199E+02   0.145E+02 0.138E+01 -.199E+02   -.687E-01 -.327E-01 -.108E-01   0.160E-03 -.944E-04 0.139E-04
   -.144E+02 -.114E+02 0.249E+02   0.144E+02 0.115E+02 -.249E+02   -.909E-01 -.646E-01 -.649E-02   0.141E-03 -.132E-03 -.205E-04
   0.308E+01 0.845E+01 0.203E+02   -.310E+01 -.848E+01 -.203E+02   0.253E-01 0.218E-01 -.205E-01   -.213E-03 0.113E-03 0.167E-04
   0.144E+02 0.114E+02 0.249E+02   -.144E+02 -.115E+02 -.249E+02   0.909E-01 0.646E-01 -.649E-02   -.141E-03 0.132E-03 -.205E-04
   0.144E+02 0.135E+01 0.199E+02   -.145E+02 -.138E+01 -.199E+02   0.687E-01 0.327E-01 -.108E-01   -.160E-03 0.944E-04 0.140E-04
   0.329E+01 -.257E+01 0.145E+02   -.329E+01 0.258E+01 -.144E+02   0.546E-02 -.429E-02 -.422E-01   -.179E-03 0.678E-04 0.130E-04
   -.126E+01 0.730E+00 0.155E+02   0.126E+01 -.729E+00 -.154E+02   0.151E-02 -.870E-03 -.271E-01   -.187E-03 0.106E-03 -.185E-04
   -.126E+01 0.123E+02 0.186E+02   0.126E+01 -.123E+02 -.185E+02   -.320E-02 0.249E-01 -.545E-01   -.134E-03 0.116E-03 -.118E-04
   0.888E+01 0.299E+02 0.397E+02   -.902E+01 -.301E+02 -.396E+02   0.139E+00 0.215E+00 -.157E-01   -.196E-03 0.430E-04 -.802E-04
   0.352E+02 0.612E+01 0.454E+02   -.358E+02 -.638E+01 -.457E+02   0.634E+00 0.262E+00 0.349E+00   -.242E-03 0.146E-03 0.118E-04
   0.182E+02 -.105E+02 0.206E+02   -.183E+02 0.106E+02 -.204E+02   0.640E-01 -.369E-01 -.129E+00   -.206E-03 0.115E-03 0.229E-04
   0.387E+01 -.156E+01 0.145E+02   -.388E+01 0.156E+01 -.144E+02   0.645E-02 -.258E-02 -.422E-01   -.151E-03 0.117E-03 0.810E-05
   -.314E+01 0.341E+01 0.163E+02   0.317E+01 -.342E+01 -.163E+02   -.240E-01 0.840E-02 -.201E-02   -.167E-03 0.952E-04 0.732E-05
   -.172E+02 0.207E+02 0.265E+02   0.174E+02 -.209E+02 -.264E+02   -.222E+00 0.145E+00 -.570E-01   -.185E-03 0.856E-04 0.312E-04
   -.265E+02 0.153E+02 0.687E+02   0.275E+02 -.159E+02 -.708E+02   -.979E+00 0.565E+00 0.210E+01   -.121E-03 0.728E-04 0.105E-03
   0.123E+02 -.335E+02 0.454E+02   -.124E+02 0.342E+02 -.457E+02   0.899E-01 -.681E+00 0.349E+00   -.246E-03 0.134E-03 0.856E-05
   0.605E+01 -.132E+02 0.199E+02   -.605E+01 0.133E+02 -.199E+02   0.602E-02 -.759E-01 -.108E-01   -.160E-03 0.907E-04 0.611E-05
   -.606E+00 -.373E+01 0.154E+02   0.611E+00 0.375E+01 -.154E+02   -.555E-02 -.196E-01 0.289E-02   -.196E-03 0.921E-04 -.109E-04
   -.915E+01 0.528E+01 0.155E+02   0.917E+01 -.529E+01 -.155E+02   -.180E-01 0.104E-01 0.520E-02   -.217E-03 0.132E-03 0.160E-04
   -.265E+02 0.450E+01 0.265E+02   0.268E+02 -.462E+01 -.264E+02   -.237E+00 0.119E+00 -.570E-01   -.161E-03 0.123E-03 0.361E-04
   -.214E+02 -.226E+02 0.397E+02   0.216E+02 0.229E+02 -.396E+02   -.117E+00 -.227E+00 -.157E-01   -.130E-03 0.148E-03 -.783E-04
   -.274E+01 -.182E+02 0.249E+02   0.275E+01 0.183E+02 -.249E+02   -.105E-01 -.111E+00 -.649E-02   -.179E-03 0.574E-04 -.235E-04
   0.196E+01 -.113E+01 0.178E+02   -.197E+01 0.114E+01 -.178E+02   0.856E-02 -.494E-02 -.347E-02   -.173E-03 0.103E-03 0.132E-04
   0.292E+01 0.239E+01 0.154E+02   -.294E+01 -.240E+01 -.154E+02   0.142E-01 0.146E-01 0.289E-02   -.175E-03 0.131E-03 -.717E-05
   -.453E+01 0.102E+01 0.163E+02   0.455E+01 -.104E+01 -.163E+02   -.193E-01 0.166E-01 -.201E-02   -.163E-03 0.101E-03 0.159E-04
   -.112E+02 -.504E+01 0.186E+02   0.113E+02 0.505E+01 -.185E+02   -.232E-01 -.969E-02 -.545E-01   -.165E-03 0.559E-04 -.613E-05
   -.578E+01 -.689E+01 0.203E+02   0.579E+01 0.692E+01 -.203E+02   -.621E-02 -.328E-01 -.205E-01   -.202E-03 0.127E-03 0.174E-04
 -----------------------------------------------------------------------------------------------
   -.183E-02 0.314E-03 0.854E+01   -.218E-12 0.121E-12 -.746E-12   -.626E-15 -.291E-15 -.853E+01   0.274E-07 -.161E-07 0.309E-03
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85289      6.06068     12.31850         0.000000      0.000000      0.013141
      2.25912      6.76430     13.63911         0.007889      0.013665      0.013379
      1.44665      5.35706     13.63911        -0.007889     -0.013665      0.013379
      0.00054     -0.00031      9.93636         0.000812     -0.000469     -0.002026
     11.11243      2.13921      9.93893         0.000413     -0.002083     -0.003930
      9.87693      4.27868      9.95271        -0.002643      0.001193     -0.000107
      8.64348      6.41801      9.95309        -0.001108      0.001320     -0.000845
     -4.93647      8.55543      9.94632         0.000276     -0.000236      0.000823
      2.47027     -0.00112      9.94632         0.000342     -0.000121      0.000823
      1.23470      2.13608      9.95217         0.001229      0.002937     -0.000214
     -0.00399      4.27491      9.98302         0.000449     -0.003575      0.002510
     -1.23853      6.41593      9.99021        -0.000186     -0.000806     -0.000374
     -2.46729      8.55494      9.96117         0.001327     -0.000766     -0.000463
      4.93874      0.00119      9.95309        -0.001697      0.000300     -0.000845
      3.70492      2.13642      9.96147        -0.001428      0.001835     -0.000950
      2.47071      4.26293     10.02871         0.002443      0.000691     -0.001070
      1.22825      6.42132     10.10207         0.003955     -0.002283     -0.009003
     -0.00047      8.56031      9.99021         0.000605      0.000564     -0.000374
      7.40817      0.00266      9.95271        -0.002355      0.001693     -0.000107
      6.17353      2.13995      9.95336         0.000121     -0.000746     -0.001044
      4.94041      4.27811      9.98414         0.001353     -0.000781      0.000011
      3.71870      6.42452     10.02871         0.000623     -0.002461     -0.001070
      2.47097      8.56168      9.98302         0.003320      0.001399      0.002510
      9.87876      0.00243      9.93893         0.002010      0.000684     -0.003930
      8.64286      2.14049      9.94153         0.000291     -0.000168      0.001933
      7.40867      4.27927      9.95336         0.000707      0.000268     -0.001044
      6.17741      6.41891      9.96147        -0.002303      0.000319     -0.000950
      4.94260      8.55835      9.95217        -0.001929     -0.002532     -0.000214
     -0.00041      1.42476      9.93893        -0.002010     -0.000684     -0.003930
     -1.23683      3.56302      9.95217         0.001929      0.002532     -0.000214
     -2.47164      5.70246      9.96147         0.002303     -0.000319     -0.000950
     -3.70289      7.84210      9.95336        -0.000707     -0.000268     -0.001044
     -4.93709      9.98087      9.94153        -0.000291      0.000168      0.001933
      2.47018      1.42452      9.95271         0.002355     -0.001693     -0.000107
      1.23481      3.55969      9.98302        -0.003320     -0.001399      0.002510
     -0.01292      5.69685     10.02871        -0.000623      0.002461     -0.001070
     -1.23463      7.84326      9.98414        -0.001353      0.000781      0.000011
     -2.46776      9.98142      9.95336        -0.000121      0.000746     -0.001044
      4.93961      1.42599      9.95309         0.001697     -0.000300     -0.000845
      3.70625      3.56106      9.99021        -0.000605     -0.000564     -0.000374
      2.47752      5.70005     10.10207        -0.003955      0.002283     -0.009003
      1.23507      7.85844     10.02871        -0.002443     -0.000691     -0.001070
      0.00086      9.98495      9.96147         0.001428     -0.001835     -0.000950
      7.40808      1.42830      9.94632        -0.000342      0.000121      0.000823
      6.17307      3.56643      9.96117        -0.001327      0.000766     -0.000463
      4.94430      5.70544      9.99021         0.000186      0.000806     -0.000374
      3.70977      7.84646      9.98302        -0.000449      0.003575      0.002510
      2.47107      9.98529      9.95217        -0.001229     -0.002937     -0.000214
      9.87781      1.42749      9.93636        -0.000812      0.000469     -0.002026
      8.64225      3.56594      9.94632        -0.000276      0.000236      0.000823
      7.41001      5.70485      9.95309         0.001108     -0.001320     -0.000845
      6.17657      7.84418      9.95271         0.002643     -0.001193     -0.000107
      4.94107      9.98365      9.93893        -0.000413      0.002083     -0.003930
 -----------------------------------------------------------------------------------
    total drift:                               -0.001833      0.000314      0.012325


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




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


    WAVPRE:  VPU time    1.95: CPU time    1.95
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.35: CPU time    1.35
    ORTHCH:  VPU time  183.14: CPU time   91.90
     LOOP+:  VPU time 4875.70: CPU time 2512.75


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


    POTLOK:  VPU time    9.17: CPU time    9.03
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1782.53: CPU time  920.73
 BZINTS: Fermi energy: -3.152067;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  115.49: CPU time   58.31
    MIXING:  VPU time    0.14: CPU time    0.14
    ------------------------------------------
      LOOP:  VPU time 1907.73: CPU time  988.59

 eigenvalue-minimisations  :  5856
 total energy-change (2. order) :-0.4716450E+03  (-0.4073605E-03)
 number of electron  212.0000066 magnetization    0.0000000
 augmentation part     7.9600439 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.12794E-02    rms(broyden)= 0.12784E-02
  rms(prec ) = 0.13861E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34044.02851144
  -1/2 Hartree   DENC   =    -40943.96811475
  -V(xc)+E(xc)   XCENC  =       726.60430142
  PAW double counting   =      4092.80261914    -4131.18786690
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.36426199
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64495804 eV

  energy without entropy =     -471.64495804  energy(sigma->0) =     -471.64495804


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




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


    POTLOK:  VPU time    9.16: CPU time    9.15
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1418.10: CPU time  732.92
 BZINTS: Fermi energy: -3.152600;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1427.68: CPU time  742.45

 eigenvalue-minimisations  :  4256
 total energy-change (2. order) :-0.3138108E-05  (-0.8330274E-05)
 number of electron  212.0000066 magnetization    0.0000000
 augmentation part     7.9600439 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34044.02851144
  -1/2 Hartree   DENC   =    -40944.01720356
  -V(xc)+E(xc)   XCENC  =       726.60659902
  PAW double counting   =      4092.82187258    -4131.20662395
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.31797032
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64496118 eV

  energy without entropy =     -471.64496118  energy(sigma->0) =     -471.64496118


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




 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 -58.5420       2 -39.9865       3 -39.9865       4 -58.2448       5 -58.2489
       6 -58.2563       7 -58.2471       8 -58.2457       9 -58.2457      10 -58.2609
      11 -58.3160      12 -58.2930      13 -58.2505      14 -58.2471      15 -58.2582
      16 -58.4382      17 -58.7329      18 -58.2930      19 -58.2563      20 -58.2510
      21 -58.2780      22 -58.4382      23 -58.3160      24 -58.2489      25 -58.2443
      26 -58.2510      27 -58.2582      28 -58.2610      29 -58.2488      30 -58.2608
      31 -58.2581      32 -58.2509      33 -58.2442      34 -58.2562      35 -58.3159
      36 -58.4381      37 -58.2779      38 -58.2509      39 -58.2470      40 -58.2929
      41 -58.7328      42 -58.4381      43 -58.2581      44 -58.2456      45 -58.2504
      46 -58.2929      47 -58.3159      48 -58.2609      49 -58.2447      50 -58.2456
      51 -58.2470      52 -58.2563      53 -58.2488
 
 
 
 E-fermi :  -3.1526     XC(G=0):  -2.3415     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     -21.4072      1.00000
      4     -21.4061      1.00000
      5     -21.3749      1.00000
      6     -21.3658      1.00000
      7     -21.3585      1.00000
      8     -19.6471      1.00000
      9     -19.5721      1.00000
     10     -19.5650      1.00000
     11     -19.5584      1.00000
     12     -19.5405      1.00000
     13     -19.5377      1.00000
     14     -18.7287      1.00000
     15     -18.6796      1.00000
     16     -18.6721      1.00000
     17     -18.6584      1.00000
     18     -18.6432      1.00000
     19     -18.6420      1.00000
     20     -16.5868      1.00000
     21     -16.5263      1.00000
     22     -16.5239      1.00000
     23     -16.5117      1.00000
     24     -16.4870      1.00000
     25     -16.4852      1.00000
     26     -15.5600      1.00000
     27     -15.5265      1.00000
     28     -15.5257      1.00000
     29     -15.4992      1.00000
     30     -15.4947      1.00000
     31     -15.4887      1.00000
     32     -14.2072      1.00000
     33     -14.1801      1.00000
     34     -14.1677      1.00000
     35     -14.1650      1.00000
     36     -14.1598      1.00000
     37     -14.1491      1.00000
     38     -11.8861      1.00000
     39     -11.8090      1.00000
     40     -11.7923      1.00000
     41     -11.7918      1.00000
     42     -11.7886      1.00000
     43     -11.7825      1.00000
     44     -11.7048      1.00000
     45     -11.6986      1.00000
     46     -11.6728      1.00000
     47     -11.6578      1.00000
     48     -11.6577      1.00000
     49     -11.6509      1.00000
     50     -10.6760      1.00000
     51     -10.3295      1.00000
     52     -10.3211      1.00000
     53     -10.3056      1.00000
     54     -10.3048      1.00000
     55     -10.2911      1.00000
     56     -10.2780      1.00000
     57      -9.9298      1.00000
     58      -9.3731      1.00000
     59      -9.3592      1.00000
     60      -9.3001      1.00000
     61      -9.2919      1.00000
     62      -9.2851      1.00000
     63      -9.0940      1.00000
     64      -9.0543      1.00000
     65      -9.0499      1.00000
     66      -9.0262      1.00000
     67      -9.0078      1.00000
     68      -9.0023      1.00000
     69      -9.0012      1.00000
     70      -8.9947      1.00000
     71      -8.9923      1.00000
     72      -8.9716      1.00000
     73      -8.9644      1.00000
     74      -8.9548      1.00000
     75      -8.5064      1.00000
     76      -7.5124      1.00000
     77      -7.4123      1.00000
     78      -7.4102      1.00000
     79      -7.4011      1.00000
     80      -7.3837      1.00000
     81      -7.3648      1.00000
     82      -7.3407      1.00000
     83      -7.3092      1.00000
     84      -7.2700      1.00000
     85      -7.2059      1.00000
     86      -7.1800      1.00000
     87      -7.1797      1.00000
     88      -7.0724      1.00000
     89      -6.5096      1.00000
     90      -6.4615      1.00000
     91      -6.3551      1.00000
     92      -6.2930      1.00000
     93      -6.2880      1.00000
     94      -6.2863      1.00000
     95      -5.8981      1.00000
     96      -5.8843      1.00000
     97      -5.0515      1.00000
     98      -4.9367      1.00000
     99      -4.5395      1.00000
    100      -4.3411      1.00000
    101      -4.3180      1.00000
    102      -4.3171      1.00000
    103      -4.1159      1.00000
    104      -3.9130      1.00000
    105      -3.9015      1.00000
    106      -3.8362      1.00000
    107      -1.6817      0.00000
    108      -1.6694      0.00000
    109      -1.5359      0.00000
    110      -1.5350      0.00000
    111      -1.5221      0.00000
    112      -1.5090      0.00000
    113      -0.5832      0.00000
    114       0.1330      0.00000
    115       0.2061      0.00000
    116       0.3247      0.00000
    117       0.3267      0.00000
    118       0.3338      0.00000
    119       0.4973      0.00000
    120       0.5970      0.00000
    121       1.2598      0.00000
    122       1.2762      0.00000
    123       1.5287      0.00000
    124       1.7939      0.00000
    125       1.8048      0.00000
    126       1.8080      0.00000
    127       1.8130      0.00000
    128       1.9452      0.00000
    129       1.9806      0.00000
    130       2.0318      0.00000
    131       2.0457      0.00000
    132       2.0509      0.00000
    133       2.0552      0.00000
    134       2.0606      0.00000
    135       2.3086      0.00000
    136       2.3231      0.00000
    137       2.6158      0.00000
    138       2.6231      0.00000
    139       2.6525      0.00000
    140       2.7312      0.00000
    141       2.8636      0.00000
    142       3.0234      0.00000
    143       3.0518      0.00000
    144       3.0880      0.00000
    145       3.0973      0.00000
    146       3.1006      0.00000
    147       3.1022      0.00000
    148       3.2366      0.00000
    149       3.4489      0.00000
    150       3.5411      0.00000
    151       3.7846      0.00000
    152       3.9450      0.00000
    153       3.9525      0.00000
    154       3.9603      0.00000
    155       3.9670      0.00000
    156       3.9983      0.00000
    157       4.1833      0.00000
    158       4.2701      0.00000
    159       4.2885      0.00000
    160       4.2889      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     -21.5708      1.00000
      4     -21.5379      1.00000
      5     -21.2079      1.00000
      6     -21.1629      1.00000
      7     -20.9872      1.00000
      8     -20.1020      1.00000
      9     -20.0576      1.00000
     10     -19.5466      1.00000
     11     -19.5217      1.00000
     12     -19.3493      1.00000
     13     -19.0251      1.00000
     14     -18.9896      1.00000
     15     -18.9813      1.00000
     16     -18.9693      1.00000
     17     -18.2975      1.00000
     18     -18.2782      1.00000
     19     -17.9521      1.00000
     20     -17.0101      1.00000
     21     -16.9598      1.00000
     22     -16.8787      1.00000
     23     -16.8688      1.00000
     24     -16.4051      1.00000
     25     -16.3901      1.00000
     26     -15.5526      1.00000
     27     -15.5358      1.00000
     28     -15.1982      1.00000
     29     -15.1692      1.00000
     30     -15.1147      1.00000
     31     -15.0279      1.00000
     32     -15.0026      1.00000
     33     -14.6365      1.00000
     34     -14.6246      1.00000
     35     -13.6678      1.00000
     36     -13.6522      1.00000
     37     -13.1697      1.00000
     38     -12.5516      1.00000
     39     -12.5175      1.00000
     40     -12.3912      1.00000
     41     -12.3780      1.00000
     42     -12.0579      1.00000
     43     -12.0347      1.00000
     44     -11.6599      1.00000
     45     -11.6175      1.00000
     46     -11.1815      1.00000
     47     -11.1567      1.00000
     48     -10.9656      1.00000
     49     -10.9408      1.00000
     50     -10.8744      1.00000
     51     -10.8374      1.00000
     52     -10.6040      1.00000
     53     -10.0941      1.00000
     54     -10.0886      1.00000
     55     -10.0470      1.00000
     56      -9.9716      1.00000
     57      -9.6549      1.00000
     58      -9.6293      1.00000
     59      -9.5922      1.00000
     60      -9.5298      1.00000
     61      -9.5112      1.00000
     62      -9.4788      1.00000
     63      -9.2653      1.00000
     64      -9.2413      1.00000
     65      -9.2213      1.00000
     66      -9.1666      1.00000
     67      -9.0685      1.00000
     68      -9.0469      1.00000
     69      -9.0411      1.00000
     70      -8.8831      1.00000
     71      -8.8068      1.00000
     72      -8.5802      1.00000
     73      -8.5229      1.00000
     74      -8.4646      1.00000
     75      -8.0353      1.00000
     76      -7.8125      1.00000
     77      -7.8071      1.00000
     78      -7.7934      1.00000
     79      -7.7005      1.00000
     80      -7.6907      1.00000
     81      -7.3610      1.00000
     82      -7.2743      1.00000
     83      -7.2649      1.00000
     84      -7.2148      1.00000
     85      -7.1723      1.00000
     86      -7.0083      1.00000
     87      -6.9478      1.00000
     88      -6.7474      1.00000
     89      -6.6725      1.00000
     90      -6.5937      1.00000
     91      -6.5591      1.00000
     92      -6.0508      1.00000
     93      -6.0478      1.00000
     94      -6.0220      1.00000
     95      -5.9589      1.00000
     96      -5.7364      1.00000
     97      -5.1583      1.00000
     98      -4.9899      1.00000
     99      -4.7188      1.00000
    100      -4.6110      1.00000
    101      -4.4408      1.00000
    102      -4.3742      1.00000
    103      -4.1228      1.00000
    104      -3.8685      1.00000
    105      -3.8359      1.00000
    106      -3.7907      1.00000
    107      -1.7860      0.00000
    108      -1.7386      0.00000
    109      -1.3943      0.00000
    110      -1.3465      0.00000
    111      -1.2639      0.00000
    112      -1.2256      0.00000
    113      -0.7443      0.00000
    114      -0.3782      0.00000
    115      -0.2207      0.00000
    116      -0.0171      0.00000
    117       0.5911      0.00000
    118       0.7367      0.00000
    119       0.7639      0.00000
    120       1.0498      0.00000
    121       1.1416      0.00000
    122       1.2507      0.00000
    123       1.2733      0.00000
    124       1.4160      0.00000
    125       1.4806      0.00000
    126       1.5877      0.00000
    127       1.7573      0.00000
    128       1.8407      0.00000
    129       1.8961      0.00000
    130       1.9594      0.00000
    131       2.1074      0.00000
    132       2.2379      0.00000
    133       2.2503      0.00000
    134       2.2984      0.00000
    135       2.4895      0.00000
    136       2.6171      0.00000
    137       2.6379      0.00000
    138       2.7688      0.00000
    139       2.8034      0.00000
    140       2.8560      0.00000
    141       2.8673      0.00000
    142       2.8923      0.00000
    143       2.9580      0.00000
    144       3.0863      0.00000
    145       3.2839      0.00000
    146       3.3089      0.00000
    147       3.3740      0.00000
    148       3.4061      0.00000
    149       3.4694      0.00000
    150       3.5916      0.00000
    151       3.6375      0.00000
    152       3.6716      0.00000
    153       3.7094      0.00000
    154       3.9097      0.00000
    155       3.9434      0.00000
    156       3.9837      0.00000
    157       4.0873      0.00000
    158       4.2059      0.00000
    159       4.2472      0.00000
    160       4.2998      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     -21.6495      1.00000
      4     -21.6123      1.00000
      5     -20.9132      1.00000
      6     -20.8667      1.00000
      7     -20.5460      1.00000
      8     -20.5064      1.00000
      9     -20.4960      1.00000
     10     -19.9637      1.00000
     11     -19.4429      1.00000
     12     -19.4154      1.00000
     13     -19.2417      1.00000
     14     -19.2273      1.00000
     15     -18.3844      1.00000
     16     -18.3400      1.00000
     17     -17.8604      1.00000
     18     -17.8391      1.00000
     19     -17.6981      1.00000
     20     -17.6554      1.00000
     21     -17.3723      1.00000
     22     -17.3562      1.00000
     23     -17.2746      1.00000
     24     -16.4016      1.00000
     25     -16.3866      1.00000
     26     -15.8965      1.00000
     27     -15.3533      1.00000
     28     -15.3372      1.00000
     29     -15.0353      1.00000
     30     -15.0210      1.00000
     31     -14.8000      1.00000
     32     -14.7751      1.00000
     33     -14.2222      1.00000
     34     -14.1897      1.00000
     35     -13.3714      1.00000
     36     -13.3371      1.00000
     37     -13.1204      1.00000
     38     -13.1027      1.00000
     39     -12.9165      1.00000
     40     -12.9029      1.00000
     41     -12.5572      1.00000
     42     -12.5391      1.00000
     43     -12.1334      1.00000
     44     -11.5228      1.00000
     45     -11.4744      1.00000
     46     -11.2544      1.00000
     47     -11.2202      1.00000
     48     -11.0798      1.00000
     49     -10.6614      1.00000
     50     -10.5890      1.00000
     51     -10.5245      1.00000
     52     -10.2577      1.00000
     53     -10.2495      1.00000
     54     -10.1232      1.00000
     55     -10.0488      1.00000
     56     -10.0416      1.00000
     57      -9.7709      1.00000
     58      -9.7052      1.00000
     59      -9.6804      1.00000
     60      -9.6309      1.00000
     61      -9.6262      1.00000
     62      -9.5878      1.00000
     63      -9.2951      1.00000
     64      -9.2854      1.00000
     65      -9.2539      1.00000
     66      -9.0911      1.00000
     67      -8.8971      1.00000
     68      -8.8841      1.00000
     69      -8.7249      1.00000
     70      -8.5910      1.00000
     71      -8.5147      1.00000
     72      -8.3311      1.00000
     73      -8.3028      1.00000
     74      -8.2650      1.00000
     75      -8.2332      1.00000
     76      -8.1950      1.00000
     77      -8.1865      1.00000
     78      -8.1711      1.00000
     79      -8.1055      1.00000
     80      -7.6889      1.00000
     81      -7.3544      1.00000
     82      -7.3104      1.00000
     83      -7.2638      1.00000
     84      -7.1874      1.00000
     85      -7.1245      1.00000
     86      -7.0768      1.00000
     87      -6.9072      1.00000
     88      -6.8824      1.00000
     89      -6.5501      1.00000
     90      -6.4926      1.00000
     91      -6.2104      1.00000
     92      -6.0704      1.00000
     93      -5.9425      1.00000
     94      -5.7161      1.00000
     95      -5.6330      1.00000
     96      -5.4524      1.00000
     97      -5.3054      1.00000
     98      -5.2341      1.00000
     99      -5.1521      1.00000
    100      -5.1516      1.00000
    101      -4.5244      1.00000
    102      -4.4709      1.00000
    103      -4.1438      1.00000
    104      -3.8391      1.00000
    105      -3.7575      1.00000
    106      -3.6795      1.00000
    107      -1.8716      0.00000
    108      -1.8241      0.00000
    109      -1.2766      0.00000
    110      -1.0368      0.00000
    111      -1.0113      0.00000
    112      -0.7120      0.00000
    113      -0.6403      0.00000
    114      -0.5882      0.00000
    115      -0.5458      0.00000
    116      -0.2001      0.00000
    117       0.2523      0.00000
    118       0.2788      0.00000
    119       0.7616      0.00000
    120       0.9463      0.00000
    121       1.1325      0.00000
    122       1.2269      0.00000
    123       1.3212      0.00000
    124       1.4134      0.00000
    125       1.6022      0.00000
    126       1.6336      0.00000
    127       1.7033      0.00000
    128       1.8237      0.00000
    129       1.9216      0.00000
    130       2.0147      0.00000
    131       2.1086      0.00000
    132       2.3286      0.00000
    133       2.3965      0.00000
    134       2.4349      0.00000
    135       2.5433      0.00000
    136       2.6351      0.00000
    137       2.7551      0.00000
    138       2.8222      0.00000
    139       2.8344      0.00000
    140       2.8891      0.00000
    141       3.0453      0.00000
    142       3.0917      0.00000
    143       3.1891      0.00000
    144       3.2417      0.00000
    145       3.3898      0.00000
    146       3.4238      0.00000
    147       3.4850      0.00000
    148       3.5776      0.00000
    149       3.6031      0.00000
    150       3.6278      0.00000
    151       3.6521      0.00000
    152       3.7434      0.00000
    153       3.7726      0.00000
    154       3.7901      0.00000
    155       3.8076      0.00000
    156       3.8980      0.00000
    157       3.9800      0.00000
    158       4.0119      0.00000
    159       4.1792      0.00000
    160       4.2393      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     -21.8232      1.00000
      4     -21.3119      1.00000
      5     -21.2815      1.00000
      6     -20.7706      1.00000
      7     -20.7047      1.00000
      8     -20.5563      1.00000
      9     -20.0093      1.00000
     10     -20.0013      1.00000
     11     -19.6481      1.00000
     12     -19.6236      1.00000
     13     -18.9299      1.00000
     14     -18.9208      1.00000
     15     -18.5703      1.00000
     16     -18.5572      1.00000
     17     -18.3939      1.00000
     18     -17.6155      1.00000
     19     -17.5586      1.00000
     20     -17.5534      1.00000
     21     -17.5120      1.00000
     22     -17.0555      1.00000
     23     -17.0386      1.00000
     24     -16.8913      1.00000
     25     -15.9295      1.00000
     26     -15.8681      1.00000
     27     -15.5160      1.00000
     28     -15.5157      1.00000
     29     -15.2290      1.00000
     30     -14.7941      1.00000
     31     -14.7675      1.00000
     32     -14.5154      1.00000
     33     -14.4710      1.00000
     34     -14.1025      1.00000
     35     -14.0908      1.00000
     36     -13.0761      1.00000
     37     -13.0327      1.00000
     38     -12.9671      1.00000
     39     -12.9546      1.00000
     40     -12.6456      1.00000
     41     -12.6383      1.00000
     42     -12.2745      1.00000
     43     -12.2428      1.00000
     44     -11.5886      1.00000
     45     -11.5611      1.00000
     46     -11.5071      1.00000
     47     -10.9059      1.00000
     48     -10.8511      1.00000
     49     -10.6237      1.00000
     50     -10.5586      1.00000
     51     -10.4848      1.00000
     52     -10.4339      1.00000
     53     -10.4239      1.00000
     54     -10.3707      1.00000
     55     -10.2934      1.00000
     56     -10.0662      1.00000
     57      -9.8331      1.00000
     58      -9.5479      1.00000
     59      -9.4880      1.00000
     60      -9.4733      1.00000
     61      -9.3465      1.00000
     62      -9.3310      1.00000
     63      -9.3101      1.00000
     64      -9.3080      1.00000
     65      -9.2143      1.00000
     66      -9.1130      1.00000
     67      -9.0811      1.00000
     68      -9.0504      1.00000
     69      -8.8503      1.00000
     70      -8.7930      1.00000
     71      -8.7749      1.00000
     72      -8.5270      1.00000
     73      -8.4766      1.00000
     74      -8.2251      1.00000
     75      -8.1115      1.00000
     76      -8.0995      1.00000
     77      -7.8080      1.00000
     78      -7.7830      1.00000
     79      -7.7816      1.00000
     80      -7.6745      1.00000
     81      -7.6313      1.00000
     82      -7.6310      1.00000
     83      -7.3994      1.00000
     84      -7.3247      1.00000
     85      -7.1967      1.00000
     86      -6.8404      1.00000
     87      -6.8292      1.00000
     88      -6.6627      1.00000
     89      -6.5387      1.00000
     90      -6.3441      1.00000
     91      -6.3074      1.00000
     92      -6.1845      1.00000
     93      -6.1485      1.00000
     94      -5.9774      1.00000
     95      -5.5722      1.00000
     96      -5.4261      1.00000
     97      -5.2585      1.00000
     98      -5.2524      1.00000
     99      -5.1490      1.00000
    100      -4.6958      1.00000
    101      -4.6652      1.00000
    102      -4.3494      1.00000
    103      -4.3169      1.00000
    104      -3.9651      1.00000
    105      -3.8326      1.00000
    106      -3.3891      1.00000
    107      -2.2209      0.00000
    108      -1.3777      0.00000
    109      -1.2865      0.00000
    110      -1.1728      0.00000
    111      -1.0774      0.00000
    112      -0.8932      0.00000
    113      -0.7676      0.00000
    114      -0.7573      0.00000
    115      -0.2155      0.00000
    116       0.1126      0.00000
    117       0.2635      0.00000
    118       0.3460      0.00000
    119       0.7353      0.00000
    120       0.9038      0.00000
    121       0.9719      0.00000
    122       1.0953      0.00000
    123       1.2099      0.00000
    124       1.5305      0.00000
    125       1.5659      0.00000
    126       1.7163      0.00000
    127       1.8389      0.00000
    128       1.8625      0.00000
    129       1.9702      0.00000
    130       2.0018      0.00000
    131       2.1602      0.00000
    132       2.2709      0.00000
    133       2.4572      0.00000
    134       2.4691      0.00000
    135       2.5048      0.00000
    136       2.6661      0.00000
    137       2.6863      0.00000
    138       2.7342      0.00000
    139       2.7467      0.00000
    140       2.8955      0.00000
    141       3.0242      0.00000
    142       3.0862      0.00000
    143       3.1947      0.00000
    144       3.2532      0.00000
    145       3.2606      0.00000
    146       3.2711      0.00000
    147       3.3647      0.00000
    148       3.4854      0.00000
    149       3.5315      0.00000
    150       3.6992      0.00000
    151       3.7591      0.00000
    152       3.7704      0.00000
    153       3.8367      0.00000
    154       3.8835      0.00000
    155       3.9460      0.00000
    156       3.9857      0.00000
    157       4.0238      0.00000
    158       4.0516      0.00000
    159       4.0565      0.00000
    160       4.1238      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     -21.8868      1.00000
      4     -21.3348      1.00000
      5     -20.9820      1.00000
      6     -20.9434      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     -18.8152      1.00000
     14     -18.7439      1.00000
     15     -18.2905      1.00000
     16     -18.2364      1.00000
     17     -18.0859      1.00000
     18     -18.0660      1.00000
     19     -17.7620      1.00000
     20     -17.7191      1.00000
     21     -17.1891      1.00000
     22     -17.1700      1.00000
     23     -17.0999      1.00000
     24     -17.0640      1.00000
     25     -16.0379      1.00000
     26     -15.8237      1.00000
     27     -15.7999      1.00000
     28     -15.7645      1.00000
     29     -15.1741      1.00000
     30     -14.4917      1.00000
     31     -14.4586      1.00000
     32     -14.2182      1.00000
     33     -13.8952      1.00000
     34     -13.8904      1.00000
     35     -13.7562      1.00000
     36     -13.7359      1.00000
     37     -13.5523      1.00000
     38     -13.5031      1.00000
     39     -13.3001      1.00000
     40     -12.5644      1.00000
     41     -12.1261      1.00000
     42     -12.0661      1.00000
     43     -12.0107      1.00000
     44     -11.9517      1.00000
     45     -11.6113      1.00000
     46     -11.5882      1.00000
     47     -11.0860      1.00000
     48     -11.0522      1.00000
     49     -10.7545      1.00000
     50     -10.6642      1.00000
     51     -10.5283      1.00000
     52     -10.1486      1.00000
     53     -10.1390      1.00000
     54     -10.0961      1.00000
     55      -9.9532      1.00000
     56      -9.9480      1.00000
     57      -9.9174      1.00000
     58      -9.7384      1.00000
     59      -9.7311      1.00000
     60      -9.7015      1.00000
     61      -9.6905      1.00000
     62      -9.4309      1.00000
     63      -9.3638      1.00000
     64      -9.0881      1.00000
     65      -9.0067      1.00000
     66      -8.9751      1.00000
     67      -8.8885      1.00000
     68      -8.8112      1.00000
     69      -8.6590      1.00000
     70      -8.6351      1.00000
     71      -8.5808      1.00000
     72      -8.4788      1.00000
     73      -8.4684      1.00000
     74      -8.3986      1.00000
     75      -8.3946      1.00000
     76      -8.1838      1.00000
     77      -8.1157      1.00000
     78      -7.9770      1.00000
     79      -7.9169      1.00000
     80      -7.8469      1.00000
     81      -7.6188      1.00000
     82      -7.5304      1.00000
     83      -7.4695      1.00000
     84      -7.2519      1.00000
     85      -6.9344      1.00000
     86      -6.8580      1.00000
     87      -6.8110      1.00000
     88      -6.5756      1.00000
     89      -6.4679      1.00000
     90      -6.4206      1.00000
     91      -6.3566      1.00000
     92      -6.0530      1.00000
     93      -5.8781      1.00000
     94      -5.7531      1.00000
     95      -5.7217      1.00000
     96      -5.4776      1.00000
     97      -5.3463      1.00000
     98      -5.1802      1.00000
     99      -5.1561      1.00000
    100      -5.1546      1.00000
    101      -4.7082      1.00000
    102      -4.4412      1.00000
    103      -4.2569      1.00000
    104      -3.9967      1.00000
    105      -3.8314      1.00000
    106      -3.1559      1.00000
    107      -2.4633      0.00000
    108      -1.3786      0.00000
    109      -1.2420      0.00000
    110      -1.1457      0.00000
    111      -1.1146      0.00000
    112      -0.5626      0.00000
    113      -0.4347      0.00000
    114      -0.4293      0.00000
    115      -0.3107      0.00000
    116      -0.1892      0.00000
    117       0.0618      0.00000
    118       0.1179      0.00000
    119       0.5400      0.00000
    120       0.6842      0.00000
    121       0.8724      0.00000
    122       0.9694      0.00000
    123       1.1125      0.00000
    124       1.4966      0.00000
    125       1.6634      0.00000
    126       1.8070      0.00000
    127       1.8780      0.00000
    128       2.0953      0.00000
    129       2.1407      0.00000
    130       2.1970      0.00000
    131       2.2142      0.00000
    132       2.3401      0.00000
    133       2.3621      0.00000
    134       2.4880      0.00000
    135       2.5792      0.00000
    136       2.6703      0.00000
    137       2.8803      0.00000
    138       2.9381      0.00000
    139       2.9675      0.00000
    140       2.9981      0.00000
    141       3.0441      0.00000
    142       3.1523      0.00000
    143       3.1803      0.00000
    144       3.2490      0.00000
    145       3.2921      0.00000
    146       3.3338      0.00000
    147       3.3500      0.00000
    148       3.3808      0.00000
    149       3.4156      0.00000
    150       3.4982      0.00000
    151       3.5551      0.00000
    152       3.6353      0.00000
    153       3.6950      0.00000
    154       3.7109      0.00000
    155       3.7261      0.00000
    156       3.9219      0.00000
    157       3.9386      0.00000
    158       4.0605      0.00000
    159       4.0922      0.00000
    160       4.2053      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2480      1.00000
      2     -21.8954      1.00000
      3     -21.8216      1.00000
      4     -21.3165      1.00000
      5     -21.2775      1.00000
      6     -20.7718      1.00000
      7     -20.7026      1.00000
      8     -20.5547      1.00000
      9     -20.0231      1.00000
     10     -19.9905      1.00000
     11     -19.6505      1.00000
     12     -19.6193      1.00000
     13     -18.9437      1.00000
     14     -18.9087      1.00000
     15     -18.5843      1.00000
     16     -18.5465      1.00000
     17     -18.3923      1.00000
     18     -17.6023      1.00000
     19     -17.5708      1.00000
     20     -17.5414      1.00000
     21     -17.5085      1.00000
     22     -17.0749      1.00000
     23     -17.0274      1.00000
     24     -16.9003      1.00000
     25     -15.9458      1.00000
     26     -15.8511      1.00000
     27     -15.5336      1.00000
     28     -15.5067      1.00000
     29     -15.2092      1.00000
     30     -14.8145      1.00000
     31     -14.7614      1.00000
     32     -14.5099      1.00000
     33     -14.4679      1.00000
     34     -14.0962      1.00000
     35     -14.0931      1.00000
     36     -13.1056      1.00000
     37     -13.0300      1.00000
     38     -12.9569      1.00000
     39     -12.9495      1.00000
     40     -12.6563      1.00000
     41     -12.6276      1.00000
     42     -12.2744      1.00000
     43     -12.2472      1.00000
     44     -11.5733      1.00000
     45     -11.5535      1.00000
     46     -11.5005      1.00000
     47     -10.8789      1.00000
     48     -10.8689      1.00000
     49     -10.6849      1.00000
     50     -10.5257      1.00000
     51     -10.5204      1.00000
     52     -10.4334      1.00000
     53     -10.4162      1.00000
     54     -10.3704      1.00000
     55     -10.2884      1.00000
     56     -10.0615      1.00000
     57      -9.8319      1.00000
     58      -9.5602      1.00000
     59      -9.4848      1.00000
     60      -9.4461      1.00000
     61      -9.3554      1.00000
     62      -9.3396      1.00000
     63      -9.3081      1.00000
     64      -9.3028      1.00000
     65      -9.2061      1.00000
     66      -9.0994      1.00000
     67      -9.0682      1.00000
     68      -9.0491      1.00000
     69      -8.8537      1.00000
     70      -8.7965      1.00000
     71      -8.7787      1.00000
     72      -8.5270      1.00000
     73      -8.4982      1.00000
     74      -8.2301      1.00000
     75      -8.1293      1.00000
     76      -8.0935      1.00000
     77      -7.8073      1.00000
     78      -7.7677      1.00000
     79      -7.7393      1.00000
     80      -7.7046      1.00000
     81      -7.6365      1.00000
     82      -7.6242      1.00000
     83      -7.3871      1.00000
     84      -7.3438      1.00000
     85      -7.2165      1.00000
     86      -6.8438      1.00000
     87      -6.8204      1.00000
     88      -6.6408      1.00000
     89      -6.5292      1.00000
     90      -6.3420      1.00000
     91      -6.2730      1.00000
     92      -6.1956      1.00000
     93      -6.1316      1.00000
     94      -6.0216      1.00000
     95      -5.6384      1.00000
     96      -5.5085      1.00000
     97      -5.2978      1.00000
     98      -5.1560      1.00000
     99      -5.0402      1.00000
    100      -4.7271      1.00000
    101      -4.6855      1.00000
    102      -4.3683      1.00000
    103      -4.1865      1.00000
    104      -4.0099      1.00000
    105      -3.8309      1.00000
    106      -3.4842      1.00000
    107      -2.1641      0.00000
    108      -1.3831      0.00000
    109      -1.2363      0.00000
    110      -1.1842      0.00000
    111      -1.0138      0.00000
    112      -0.9563      0.00000
    113      -0.7976      0.00000
    114      -0.7521      0.00000
    115      -0.3634      0.00000
    116       0.2449      0.00000
    117       0.2767      0.00000
    118       0.3652      0.00000
    119       0.7015      0.00000
    120       0.8688      0.00000
    121       0.9658      0.00000
    122       1.1277      0.00000
    123       1.2373      0.00000
    124       1.4564      0.00000
    125       1.5585      0.00000
    126       1.7829      0.00000
    127       1.8511      0.00000
    128       1.8833      0.00000
    129       1.9889      0.00000
    130       2.0330      0.00000
    131       2.1978      0.00000
    132       2.2137      0.00000
    133       2.4049      0.00000
    134       2.4548      0.00000
    135       2.5505      0.00000
    136       2.6584      0.00000
    137       2.6849      0.00000
    138       2.7304      0.00000
    139       2.7714      0.00000
    140       2.8573      0.00000
    141       2.9683      0.00000
    142       3.0849      0.00000
    143       3.1894      0.00000
    144       3.2423      0.00000
    145       3.2580      0.00000
    146       3.2969      0.00000
    147       3.3376      0.00000
    148       3.4847      0.00000
    149       3.5124      0.00000
    150       3.7151      0.00000
    151       3.7254      0.00000
    152       3.7701      0.00000
    153       3.8632      0.00000
    154       3.8748      0.00000
    155       3.9017      0.00000
    156       3.9993      0.00000
    157       4.0009      0.00000
    158       4.0550      0.00000
    159       4.0647      0.00000
    160       4.0916      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3200      1.00000
      2     -21.7619      1.00000
      3     -21.5680      1.00000
      4     -21.5407      1.00000
      5     -21.2054      1.00000
      6     -21.1662      1.00000
      7     -20.9859      1.00000
      8     -20.0991      1.00000
      9     -20.0599      1.00000
     10     -19.5468      1.00000
     11     -19.5260      1.00000
     12     -19.3451      1.00000
     13     -19.0287      1.00000
     14     -18.9884      1.00000
     15     -18.9776      1.00000
     16     -18.9716      1.00000
     17     -18.2963      1.00000
     18     -18.2824      1.00000
     19     -17.9465      1.00000
     20     -17.0009      1.00000
     21     -16.9598      1.00000
     22     -16.8830      1.00000
     23     -16.8698      1.00000
     24     -16.4162      1.00000
     25     -16.3936      1.00000
     26     -15.5409      1.00000
     27     -15.5375      1.00000
     28     -15.1726      1.00000
     29     -15.1715      1.00000
     30     -15.1319      1.00000
     31     -15.0372      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     -13.1717      1.00000
     38     -12.5745      1.00000
     39     -12.5133      1.00000
     40     -12.3860      1.00000
     41     -12.3858      1.00000
     42     -12.0351      1.00000
     43     -12.0313      1.00000
     44     -11.6548      1.00000
     45     -11.6145      1.00000
     46     -11.2079      1.00000
     47     -11.1570      1.00000
     48     -10.9561      1.00000
     49     -10.9427      1.00000
     50     -10.8604      1.00000
     51     -10.8280      1.00000
     52     -10.6269      1.00000
     53     -10.1482      1.00000
     54     -10.0851      1.00000
     55     -10.0259      1.00000
     56      -9.9468      1.00000
     57      -9.6317      1.00000
     58      -9.6295      1.00000
     59      -9.6033      1.00000
     60      -9.5408      1.00000
     61      -9.5036      1.00000
     62      -9.4785      1.00000
     63      -9.2739      1.00000
     64      -9.2359      1.00000
     65      -9.2077      1.00000
     66      -9.1794      1.00000
     67      -9.0623      1.00000
     68      -9.0474      1.00000
     69      -9.0439      1.00000
     70      -8.8772      1.00000
     71      -8.8085      1.00000
     72      -8.5392      1.00000
     73      -8.5325      1.00000
     74      -8.5045      1.00000
     75      -8.0320      1.00000
     76      -7.8318      1.00000
     77      -7.8020      1.00000
     78      -7.7738      1.00000
     79      -7.7043      1.00000
     80      -7.6846      1.00000
     81      -7.4104      1.00000
     82      -7.2892      1.00000
     83      -7.2517      1.00000
     84      -7.2036      1.00000
     85      -7.0825      1.00000
     86      -7.0732      1.00000
     87      -6.9374      1.00000
     88      -6.7124      1.00000
     89      -6.6745      1.00000
     90      -6.6290      1.00000
     91      -6.5568      1.00000
     92      -6.0725      1.00000
     93      -6.0322      1.00000
     94      -6.0014      1.00000
     95      -5.9366      1.00000
     96      -5.8011      1.00000
     97      -5.1829      1.00000
     98      -4.8956      1.00000
     99      -4.7940      1.00000
    100      -4.6109      1.00000
    101      -4.5124      1.00000
    102      -4.1409      1.00000
    103      -4.0925      1.00000
    104      -3.9312      1.00000
    105      -3.9167      1.00000
    106      -3.8300      1.00000
    107      -1.7514      0.00000
    108      -1.6957      0.00000
    109      -1.4098      0.00000
    110      -1.3722      0.00000
    111      -1.2643      0.00000
    112      -1.2358      0.00000
    113      -0.6220      0.00000
    114      -0.5989      0.00000
    115      -0.1901      0.00000
    116       0.0439      0.00000
    117       0.5849      0.00000
    118       0.7408      0.00000
    119       0.8503      0.00000
    120       0.9283      0.00000
    121       1.1676      0.00000
    122       1.2116      0.00000
    123       1.2472      0.00000
    124       1.4217      0.00000
    125       1.5997      0.00000
    126       1.6406      0.00000
    127       1.7058      0.00000
    128       1.8053      0.00000
    129       1.9229      0.00000
    130       1.9400      0.00000
    131       2.1505      0.00000
    132       2.1743      0.00000
    133       2.2620      0.00000
    134       2.3037      0.00000
    135       2.5441      0.00000
    136       2.5622      0.00000
    137       2.6365      0.00000
    138       2.7615      0.00000
    139       2.8135      0.00000
    140       2.8450      0.00000
    141       2.8938      0.00000
    142       2.9429      0.00000
    143       3.0175      0.00000
    144       3.0305      0.00000
    145       3.0915      0.00000
    146       3.3156      0.00000
    147       3.3687      0.00000
    148       3.4164      0.00000
    149       3.4816      0.00000
    150       3.6083      0.00000
    151       3.6582      0.00000
    152       3.6666      0.00000
    153       3.6802      0.00000
    154       3.8952      0.00000
    155       3.9816      0.00000
    156       4.0284      0.00000
    157       4.0755      0.00000
    158       4.2396      0.00000
    159       4.2589      0.00000
    160       4.2701      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     -21.8862      1.00000
      4     -21.3357      1.00000
      5     -20.9771      1.00000
      6     -20.9475      1.00000
      7     -20.4284      1.00000
      8     -20.3962      1.00000
      9     -20.2166      1.00000
     10     -20.2141      1.00000
     11     -19.8880      1.00000
     12     -19.8242      1.00000
     13     -18.8180      1.00000
     14     -18.7470      1.00000
     15     -18.2657      1.00000
     16     -18.2525      1.00000
     17     -18.0807      1.00000
     18     -18.0736      1.00000
     19     -17.7458      1.00000
     20     -17.7309      1.00000
     21     -17.1956      1.00000
     22     -17.1716      1.00000
     23     -17.0889      1.00000
     24     -17.0681      1.00000
     25     -16.0550      1.00000
     26     -15.8085      1.00000
     27     -15.7989      1.00000
     28     -15.7780      1.00000
     29     -15.1592      1.00000
     30     -14.4858      1.00000
     31     -14.4644      1.00000
     32     -14.2042      1.00000
     33     -13.9179      1.00000
     34     -13.8871      1.00000
     35     -13.7599      1.00000
     36     -13.7390      1.00000
     37     -13.5360      1.00000
     38     -13.5109      1.00000
     39     -13.3018      1.00000
     40     -12.5775      1.00000
     41     -12.1009      1.00000
     42     -12.0777      1.00000
     43     -11.9984      1.00000
     44     -11.9510      1.00000
     45     -11.6068      1.00000
     46     -11.5987      1.00000
     47     -11.0856      1.00000
     48     -11.0610      1.00000
     49     -10.7322      1.00000
     50     -10.6645      1.00000
     51     -10.5617      1.00000
     52     -10.1403      1.00000
     53     -10.1359      1.00000
     54     -10.1009      1.00000
     55      -9.9669      1.00000
     56      -9.9256      1.00000
     57      -9.9217      1.00000
     58      -9.7523      1.00000
     59      -9.7296      1.00000
     60      -9.6979      1.00000
     61      -9.6949      1.00000
     62      -9.4026      1.00000
     63      -9.3891      1.00000
     64      -9.0708      1.00000
     65      -8.9830      1.00000
     66      -8.9818      1.00000
     67      -8.9060      1.00000
     68      -8.8119      1.00000
     69      -8.6509      1.00000
     70      -8.6341      1.00000
     71      -8.5512      1.00000
     72      -8.5019      1.00000
     73      -8.4826      1.00000
     74      -8.3943      1.00000
     75      -8.3830      1.00000
     76      -8.2101      1.00000
     77      -8.1033      1.00000
     78      -8.0071      1.00000
     79      -7.9029      1.00000
     80      -7.8451      1.00000
     81      -7.6219      1.00000
     82      -7.5335      1.00000
     83      -7.4562      1.00000
     84      -7.2491      1.00000
     85      -6.9445      1.00000
     86      -6.8695      1.00000
     87      -6.8106      1.00000
     88      -6.4780      1.00000
     89      -6.4682      1.00000
     90      -6.4094      1.00000
     91      -6.3599      1.00000
     92      -6.1928      1.00000
     93      -5.8583      1.00000
     94      -5.7378      1.00000
     95      -5.7111      1.00000
     96      -5.5243      1.00000
     97      -5.3295      1.00000
     98      -5.1721      1.00000
     99      -5.1676      1.00000
    100      -5.1341      1.00000
    101      -4.6959      1.00000
    102      -4.3486      1.00000
    103      -4.2826      1.00000
    104      -4.0301      1.00000
    105      -3.8324      1.00000
    106      -3.2335      1.00000
    107      -2.4047      0.00000
    108      -1.3449      0.00000
    109      -1.2446      0.00000
    110      -1.1526      0.00000
    111      -1.1084      0.00000
    112      -0.5816      0.00000
    113      -0.5224      0.00000
    114      -0.4338      0.00000
    115      -0.2748      0.00000
    116      -0.0695      0.00000
    117      -0.0107      0.00000
    118       0.0598      0.00000
    119       0.5833      0.00000
    120       0.7108      0.00000
    121       0.8110      0.00000
    122       0.9454      0.00000
    123       1.1846      0.00000
    124       1.5115      0.00000
    125       1.6213      0.00000
    126       1.8625      0.00000
    127       2.0067      0.00000
    128       2.0517      0.00000
    129       2.1157      0.00000
    130       2.1525      0.00000
    131       2.2636      0.00000
    132       2.2864      0.00000
    133       2.3486      0.00000
    134       2.4602      0.00000
    135       2.6101      0.00000
    136       2.7025      0.00000
    137       2.8216      0.00000
    138       2.9148      0.00000
    139       2.9424      0.00000
    140       3.0191      0.00000
    141       3.0518      0.00000
    142       3.1585      0.00000
    143       3.1629      0.00000
    144       3.2282      0.00000
    145       3.3003      0.00000
    146       3.3122      0.00000
    147       3.3538      0.00000
    148       3.3743      0.00000
    149       3.4185      0.00000
    150       3.4510      0.00000
    151       3.5652      0.00000
    152       3.6149      0.00000
    153       3.7023      0.00000
    154       3.7251      0.00000
    155       3.8497      0.00000
    156       3.9073      0.00000
    157       3.9332      0.00000
    158       3.9630      0.00000
    159       4.1504      0.00000
    160       4.1842      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     -20.9104      1.00000
      6     -20.8694      1.00000
      7     -20.5397      1.00000
      8     -20.5070      1.00000
      9     -20.5001      1.00000
     10     -19.9628      1.00000
     11     -19.4417      1.00000
     12     -19.4189      1.00000
     13     -19.2404      1.00000
     14     -19.2330      1.00000
     15     -18.3767      1.00000
     16     -18.3413      1.00000
     17     -17.8595      1.00000
     18     -17.8429      1.00000
     19     -17.6919      1.00000
     20     -17.6557      1.00000
     21     -17.3729      1.00000
     22     -17.3582      1.00000
     23     -17.2676      1.00000
     24     -16.4139      1.00000
     25     -16.3904      1.00000
     26     -15.9056      1.00000
     27     -15.3437      1.00000
     28     -15.3389      1.00000
     29     -15.0313      1.00000
     30     -15.0217      1.00000
     31     -14.7762      1.00000
     32     -14.7746      1.00000
     33     -14.2390      1.00000
     34     -14.1872      1.00000
     35     -13.3891      1.00000
     36     -13.3336      1.00000
     37     -13.1113      1.00000
     38     -13.1034      1.00000
     39     -12.9187      1.00000
     40     -12.9128      1.00000
     41     -12.5455      1.00000
     42     -12.5380      1.00000
     43     -12.1344      1.00000
     44     -11.5138      1.00000
     45     -11.4693      1.00000
     46     -11.2448      1.00000
     47     -11.2131      1.00000
     48     -11.0877      1.00000
     49     -10.7092      1.00000
     50     -10.5955      1.00000
     51     -10.5099      1.00000
     52     -10.2521      1.00000
     53     -10.2481      1.00000
     54     -10.1219      1.00000
     55     -10.0541      1.00000
     56     -10.0395      1.00000
     57      -9.7863      1.00000
     58      -9.6878      1.00000
     59      -9.6741      1.00000
     60      -9.6383      1.00000
     61      -9.6285      1.00000
     62      -9.5857      1.00000
     63      -9.2965      1.00000
     64      -9.2843      1.00000
     65      -9.2529      1.00000
     66      -9.0683      1.00000
     67      -8.8951      1.00000
     68      -8.8845      1.00000
     69      -8.7186      1.00000
     70      -8.5839      1.00000
     71      -8.5261      1.00000
     72      -8.3513      1.00000
     73      -8.3048      1.00000
     74      -8.2431      1.00000
     75      -8.2385      1.00000
     76      -8.1943      1.00000
     77      -8.1820      1.00000
     78      -8.1697      1.00000
     79      -8.1120      1.00000
     80      -7.6906      1.00000
     81      -7.4151      1.00000
     82      -7.3457      1.00000
     83      -7.2582      1.00000
     84      -7.1697      1.00000
     85      -7.1111      1.00000
     86      -7.0032      1.00000
     87      -6.9041      1.00000
     88      -6.8467      1.00000
     89      -6.5414      1.00000
     90      -6.4997      1.00000
     91      -6.2150      1.00000
     92      -6.2013      1.00000
     93      -5.8946      1.00000
     94      -5.6739      1.00000
     95      -5.6092      1.00000
     96      -5.5804      1.00000
     97      -5.2532      1.00000
     98      -5.2315      1.00000
     99      -5.1649      1.00000
    100      -5.1346      1.00000
    101      -4.5997      1.00000
    102      -4.2524      1.00000
    103      -4.0466      1.00000
    104      -3.8848      1.00000
    105      -3.8440      1.00000
    106      -3.8017      1.00000
    107      -1.8073      0.00000
    108      -1.7803      0.00000
    109      -1.2247      0.00000
    110      -1.1765      0.00000
    111      -0.9738      0.00000
    112      -0.7338      0.00000
    113      -0.6508      0.00000
    114      -0.5939      0.00000
    115      -0.5496      0.00000
    116      -0.1497      0.00000
    117       0.1756      0.00000
    118       0.2881      0.00000
    119       0.7065      0.00000
    120       0.9504      0.00000
    121       1.1688      0.00000
    122       1.2782      0.00000
    123       1.3480      0.00000
    124       1.5132      0.00000
    125       1.6088      0.00000
    126       1.6287      0.00000
    127       1.6923      0.00000
    128       1.7745      0.00000
    129       1.8641      0.00000
    130       2.0787      0.00000
    131       2.1684      0.00000
    132       2.3180      0.00000
    133       2.3961      0.00000
    134       2.4239      0.00000
    135       2.5578      0.00000
    136       2.6256      0.00000
    137       2.6882      0.00000
    138       2.7453      0.00000
    139       2.8170      0.00000
    140       2.9099      0.00000
    141       3.0551      0.00000
    142       3.0623      0.00000
    143       3.1861      0.00000
    144       3.2828      0.00000
    145       3.3811      0.00000
    146       3.4161      0.00000
    147       3.4617      0.00000
    148       3.5470      0.00000
    149       3.5777      0.00000
    150       3.6352      0.00000
    151       3.6651      0.00000
    152       3.7015      0.00000
    153       3.7889      0.00000
    154       3.7998      0.00000
    155       3.8268      0.00000
    156       3.8962      0.00000
    157       3.9096      0.00000
    158       3.9807      0.00000
    159       4.1913      0.00000
    160       4.2345      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     -21.4072      1.00000
      4     -21.4061      1.00000
      5     -21.3749      1.00000
      6     -21.3658      1.00000
      7     -21.3585      1.00000
      8     -19.6471      1.00000
      9     -19.5721      1.00000
     10     -19.5650      1.00000
     11     -19.5584      1.00000
     12     -19.5405      1.00000
     13     -19.5377      1.00000
     14     -18.7287      1.00000
     15     -18.6796      1.00000
     16     -18.6721      1.00000
     17     -18.6584      1.00000
     18     -18.6432      1.00000
     19     -18.6420      1.00000
     20     -16.5868      1.00000
     21     -16.5263      1.00000
     22     -16.5239      1.00000
     23     -16.5117      1.00000
     24     -16.4870      1.00000
     25     -16.4852      1.00000
     26     -15.5600      1.00000
     27     -15.5265      1.00000
     28     -15.5257      1.00000
     29     -15.4992      1.00000
     30     -15.4947      1.00000
     31     -15.4887      1.00000
     32     -14.2072      1.00000
     33     -14.1801      1.00000
     34     -14.1677      1.00000
     35     -14.1650      1.00000
     36     -14.1598      1.00000
     37     -14.1491      1.00000
     38     -11.8861      1.00000
     39     -11.8090      1.00000
     40     -11.7923      1.00000
     41     -11.7918      1.00000
     42     -11.7886      1.00000
     43     -11.7825      1.00000
     44     -11.7048      1.00000
     45     -11.6986      1.00000
     46     -11.6728      1.00000
     47     -11.6578      1.00000
     48     -11.6577      1.00000
     49     -11.6509      1.00000
     50     -10.6760      1.00000
     51     -10.3295      1.00000
     52     -10.3211      1.00000
     53     -10.3056      1.00000
     54     -10.3048      1.00000
     55     -10.2911      1.00000
     56     -10.2780      1.00000
     57      -9.9298      1.00000
     58      -9.3731      1.00000
     59      -9.3592      1.00000
     60      -9.3001      1.00000
     61      -9.2919      1.00000
     62      -9.2851      1.00000
     63      -9.0940      1.00000
     64      -9.0543      1.00000
     65      -9.0499      1.00000
     66      -9.0262      1.00000
     67      -9.0078      1.00000
     68      -9.0023      1.00000
     69      -9.0012      1.00000
     70      -8.9947      1.00000
     71      -8.9923      1.00000
     72      -8.9716      1.00000
     73      -8.9644      1.00000
     74      -8.9548      1.00000
     75      -8.5064      1.00000
     76      -7.5124      1.00000
     77      -7.4123      1.00000
     78      -7.4102      1.00000
     79      -7.4011      1.00000
     80      -7.3837      1.00000
     81      -7.3648      1.00000
     82      -7.3407      1.00000
     83      -7.3092      1.00000
     84      -7.2700      1.00000
     85      -7.2059      1.00000
     86      -7.1800      1.00000
     87      -7.1797      1.00000
     88      -7.0724      1.00000
     89      -6.5096      1.00000
     90      -6.4615      1.00000
     91      -6.3551      1.00000
     92      -6.2930      1.00000
     93      -6.2880      1.00000
     94      -6.2863      1.00000
     95      -5.8981      1.00000
     96      -5.8843      1.00000
     97      -5.0515      1.00000
     98      -4.9367      1.00000
     99      -4.5395      1.00000
    100      -4.3411      1.00000
    101      -4.3180      1.00000
    102      -4.3171      1.00000
    103      -4.1159      1.00000
    104      -3.9130      1.00000
    105      -3.9015      1.00000
    106      -3.8362      1.00000
    107      -1.6817      0.00000
    108      -1.6694      0.00000
    109      -1.5359      0.00000
    110      -1.5350      0.00000
    111      -1.5221      0.00000
    112      -1.5090      0.00000
    113      -0.5832      0.00000
    114       0.1330      0.00000
    115       0.2061      0.00000
    116       0.3247      0.00000
    117       0.3267      0.00000
    118       0.3338      0.00000
    119       0.4973      0.00000
    120       0.5970      0.00000
    121       1.2598      0.00000
    122       1.2762      0.00000
    123       1.5287      0.00000
    124       1.7939      0.00000
    125       1.8048      0.00000
    126       1.8080      0.00000
    127       1.8130      0.00000
    128       1.9452      0.00000
    129       1.9806      0.00000
    130       2.0318      0.00000
    131       2.0457      0.00000
    132       2.0509      0.00000
    133       2.0552      0.00000
    134       2.0606      0.00000
    135       2.3086      0.00000
    136       2.3231      0.00000
    137       2.6158      0.00000
    138       2.6231      0.00000
    139       2.6525      0.00000
    140       2.7312      0.00000
    141       2.8636      0.00000
    142       3.0234      0.00000
    143       3.0518      0.00000
    144       3.0880      0.00000
    145       3.0973      0.00000
    146       3.1006      0.00000
    147       3.1022      0.00000
    148       3.2366      0.00000
    149       3.4489      0.00000
    150       3.5411      0.00000
    151       3.7846      0.00000
    152       3.9451      0.00000
    153       3.9525      0.00000
    154       3.9603      0.00000
    155       3.9670      0.00000
    156       3.9983      0.00000
    157       4.1833      0.00000
    158       4.2701      0.00000
    159       4.2885      0.00000
    160       4.2889      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     -21.5708      1.00000
      4     -21.5379      1.00000
      5     -21.2079      1.00000
      6     -21.1629      1.00000
      7     -20.9872      1.00000
      8     -20.1020      1.00000
      9     -20.0576      1.00000
     10     -19.5466      1.00000
     11     -19.5217      1.00000
     12     -19.3493      1.00000
     13     -19.0251      1.00000
     14     -18.9896      1.00000
     15     -18.9813      1.00000
     16     -18.9693      1.00000
     17     -18.2975      1.00000
     18     -18.2782      1.00000
     19     -17.9521      1.00000
     20     -17.0101      1.00000
     21     -16.9598      1.00000
     22     -16.8787      1.00000
     23     -16.8688      1.00000
     24     -16.4051      1.00000
     25     -16.3901      1.00000
     26     -15.5526      1.00000
     27     -15.5358      1.00000
     28     -15.1982      1.00000
     29     -15.1692      1.00000
     30     -15.1147      1.00000
     31     -15.0279      1.00000
     32     -15.0026      1.00000
     33     -14.6365      1.00000
     34     -14.6246      1.00000
     35     -13.6678      1.00000
     36     -13.6522      1.00000
     37     -13.1697      1.00000
     38     -12.5516      1.00000
     39     -12.5175      1.00000
     40     -12.3912      1.00000
     41     -12.3780      1.00000
     42     -12.0579      1.00000
     43     -12.0347      1.00000
     44     -11.6599      1.00000
     45     -11.6175      1.00000
     46     -11.1815      1.00000
     47     -11.1567      1.00000
     48     -10.9656      1.00000
     49     -10.9408      1.00000
     50     -10.8744      1.00000
     51     -10.8374      1.00000
     52     -10.6040      1.00000
     53     -10.0941      1.00000
     54     -10.0886      1.00000
     55     -10.0470      1.00000
     56      -9.9716      1.00000
     57      -9.6549      1.00000
     58      -9.6293      1.00000
     59      -9.5922      1.00000
     60      -9.5298      1.00000
     61      -9.5112      1.00000
     62      -9.4788      1.00000
     63      -9.2653      1.00000
     64      -9.2413      1.00000
     65      -9.2213      1.00000
     66      -9.1666      1.00000
     67      -9.0685      1.00000
     68      -9.0469      1.00000
     69      -9.0411      1.00000
     70      -8.8831      1.00000
     71      -8.8068      1.00000
     72      -8.5802      1.00000
     73      -8.5229      1.00000
     74      -8.4646      1.00000
     75      -8.0353      1.00000
     76      -7.8125      1.00000
     77      -7.8071      1.00000
     78      -7.7934      1.00000
     79      -7.7005      1.00000
     80      -7.6907      1.00000
     81      -7.3610      1.00000
     82      -7.2743      1.00000
     83      -7.2649      1.00000
     84      -7.2148      1.00000
     85      -7.1723      1.00000
     86      -7.0083      1.00000
     87      -6.9478      1.00000
     88      -6.7474      1.00000
     89      -6.6725      1.00000
     90      -6.5937      1.00000
     91      -6.5591      1.00000
     92      -6.0508      1.00000
     93      -6.0478      1.00000
     94      -6.0220      1.00000
     95      -5.9589      1.00000
     96      -5.7364      1.00000
     97      -5.1583      1.00000
     98      -4.9899      1.00000
     99      -4.7188      1.00000
    100      -4.6110      1.00000
    101      -4.4408      1.00000
    102      -4.3742      1.00000
    103      -4.1228      1.00000
    104      -3.8685      1.00000
    105      -3.8359      1.00000
    106      -3.7907      1.00000
    107      -1.7860      0.00000
    108      -1.7386      0.00000
    109      -1.3943      0.00000
    110      -1.3465      0.00000
    111      -1.2639      0.00000
    112      -1.2256      0.00000
    113      -0.7443      0.00000
    114      -0.3782      0.00000
    115      -0.2207      0.00000
    116      -0.0171      0.00000
    117       0.5911      0.00000
    118       0.7367      0.00000
    119       0.7639      0.00000
    120       1.0498      0.00000
    121       1.1416      0.00000
    122       1.2507      0.00000
    123       1.2733      0.00000
    124       1.4160      0.00000
    125       1.4806      0.00000
    126       1.5877      0.00000
    127       1.7573      0.00000
    128       1.8407      0.00000
    129       1.8961      0.00000
    130       1.9594      0.00000
    131       2.1074      0.00000
    132       2.2379      0.00000
    133       2.2503      0.00000
    134       2.2984      0.00000
    135       2.4895      0.00000
    136       2.6171      0.00000
    137       2.6379      0.00000
    138       2.7688      0.00000
    139       2.8034      0.00000
    140       2.8560      0.00000
    141       2.8674      0.00000
    142       2.8923      0.00000
    143       2.9580      0.00000
    144       3.0863      0.00000
    145       3.2839      0.00000
    146       3.3089      0.00000
    147       3.3740      0.00000
    148       3.4062      0.00000
    149       3.4694      0.00000
    150       3.5916      0.00000
    151       3.6375      0.00000
    152       3.6716      0.00000
    153       3.7094      0.00000
    154       3.9097      0.00000
    155       3.9434      0.00000
    156       3.9837      0.00000
    157       4.0873      0.00000
    158       4.2059      0.00000
    159       4.2472      0.00000
    160       4.2998      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     -21.6495      1.00000
      4     -21.6123      1.00000
      5     -20.9132      1.00000
      6     -20.8667      1.00000
      7     -20.5460      1.00000
      8     -20.5064      1.00000
      9     -20.4960      1.00000
     10     -19.9637      1.00000
     11     -19.4429      1.00000
     12     -19.4154      1.00000
     13     -19.2417      1.00000
     14     -19.2273      1.00000
     15     -18.3844      1.00000
     16     -18.3400      1.00000
     17     -17.8604      1.00000
     18     -17.8391      1.00000
     19     -17.6981      1.00000
     20     -17.6554      1.00000
     21     -17.3723      1.00000
     22     -17.3562      1.00000
     23     -17.2746      1.00000
     24     -16.4016      1.00000
     25     -16.3866      1.00000
     26     -15.8965      1.00000
     27     -15.3533      1.00000
     28     -15.3372      1.00000
     29     -15.0353      1.00000
     30     -15.0210      1.00000
     31     -14.8000      1.00000
     32     -14.7751      1.00000
     33     -14.2222      1.00000
     34     -14.1897      1.00000
     35     -13.3714      1.00000
     36     -13.3371      1.00000
     37     -13.1204      1.00000
     38     -13.1027      1.00000
     39     -12.9165      1.00000
     40     -12.9029      1.00000
     41     -12.5572      1.00000
     42     -12.5391      1.00000
     43     -12.1334      1.00000
     44     -11.5228      1.00000
     45     -11.4744      1.00000
     46     -11.2544      1.00000
     47     -11.2202      1.00000
     48     -11.0798      1.00000
     49     -10.6614      1.00000
     50     -10.5890      1.00000
     51     -10.5245      1.00000
     52     -10.2577      1.00000
     53     -10.2495      1.00000
     54     -10.1232      1.00000
     55     -10.0488      1.00000
     56     -10.0416      1.00000
     57      -9.7709      1.00000
     58      -9.7052      1.00000
     59      -9.6804      1.00000
     60      -9.6309      1.00000
     61      -9.6262      1.00000
     62      -9.5878      1.00000
     63      -9.2951      1.00000
     64      -9.2854      1.00000
     65      -9.2539      1.00000
     66      -9.0911      1.00000
     67      -8.8971      1.00000
     68      -8.8841      1.00000
     69      -8.7249      1.00000
     70      -8.5910      1.00000
     71      -8.5147      1.00000
     72      -8.3311      1.00000
     73      -8.3028      1.00000
     74      -8.2650      1.00000
     75      -8.2332      1.00000
     76      -8.1950      1.00000
     77      -8.1865      1.00000
     78      -8.1711      1.00000
     79      -8.1055      1.00000
     80      -7.6889      1.00000
     81      -7.3544      1.00000
     82      -7.3104      1.00000
     83      -7.2638      1.00000
     84      -7.1874      1.00000
     85      -7.1245      1.00000
     86      -7.0768      1.00000
     87      -6.9072      1.00000
     88      -6.8824      1.00000
     89      -6.5501      1.00000
     90      -6.4926      1.00000
     91      -6.2104      1.00000
     92      -6.0704      1.00000
     93      -5.9425      1.00000
     94      -5.7161      1.00000
     95      -5.6330      1.00000
     96      -5.4524      1.00000
     97      -5.3054      1.00000
     98      -5.2341      1.00000
     99      -5.1521      1.00000
    100      -5.1516      1.00000
    101      -4.5244      1.00000
    102      -4.4709      1.00000
    103      -4.1438      1.00000
    104      -3.8391      1.00000
    105      -3.7575      1.00000
    106      -3.6795      1.00000
    107      -1.8716      0.00000
    108      -1.8241      0.00000
    109      -1.2766      0.00000
    110      -1.0368      0.00000
    111      -1.0113      0.00000
    112      -0.7120      0.00000
    113      -0.6403      0.00000
    114      -0.5882      0.00000
    115      -0.5458      0.00000
    116      -0.2001      0.00000
    117       0.2523      0.00000
    118       0.2788      0.00000
    119       0.7616      0.00000
    120       0.9463      0.00000
    121       1.1325      0.00000
    122       1.2269      0.00000
    123       1.3212      0.00000
    124       1.4134      0.00000
    125       1.6022      0.00000
    126       1.6336      0.00000
    127       1.7033      0.00000
    128       1.8238      0.00000
    129       1.9216      0.00000
    130       2.0147      0.00000
    131       2.1086      0.00000
    132       2.3286      0.00000
    133       2.3965      0.00000
    134       2.4349      0.00000
    135       2.5433      0.00000
    136       2.6351      0.00000
    137       2.7551      0.00000
    138       2.8222      0.00000
    139       2.8344      0.00000
    140       2.8891      0.00000
    141       3.0453      0.00000
    142       3.0917      0.00000
    143       3.1891      0.00000
    144       3.2417      0.00000
    145       3.3898      0.00000
    146       3.4238      0.00000
    147       3.4850      0.00000
    148       3.5776      0.00000
    149       3.6031      0.00000
    150       3.6278      0.00000
    151       3.6521      0.00000
    152       3.7434      0.00000
    153       3.7726      0.00000
    154       3.7901      0.00000
    155       3.8077      0.00000
    156       3.8980      0.00000
    157       3.9800      0.00000
    158       4.0120      0.00000
    159       4.1792      0.00000
    160       4.2393      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     -21.8232      1.00000
      4     -21.3119      1.00000
      5     -21.2815      1.00000
      6     -20.7706      1.00000
      7     -20.7047      1.00000
      8     -20.5563      1.00000
      9     -20.0093      1.00000
     10     -20.0013      1.00000
     11     -19.6481      1.00000
     12     -19.6236      1.00000
     13     -18.9299      1.00000
     14     -18.9208      1.00000
     15     -18.5703      1.00000
     16     -18.5572      1.00000
     17     -18.3939      1.00000
     18     -17.6155      1.00000
     19     -17.5586      1.00000
     20     -17.5534      1.00000
     21     -17.5120      1.00000
     22     -17.0555      1.00000
     23     -17.0386      1.00000
     24     -16.8913      1.00000
     25     -15.9295      1.00000
     26     -15.8681      1.00000
     27     -15.5160      1.00000
     28     -15.5157      1.00000
     29     -15.2290      1.00000
     30     -14.7941      1.00000
     31     -14.7675      1.00000
     32     -14.5154      1.00000
     33     -14.4710      1.00000
     34     -14.1025      1.00000
     35     -14.0908      1.00000
     36     -13.0761      1.00000
     37     -13.0327      1.00000
     38     -12.9671      1.00000
     39     -12.9546      1.00000
     40     -12.6456      1.00000
     41     -12.6383      1.00000
     42     -12.2745      1.00000
     43     -12.2428      1.00000
     44     -11.5886      1.00000
     45     -11.5611      1.00000
     46     -11.5071      1.00000
     47     -10.9059      1.00000
     48     -10.8511      1.00000
     49     -10.6237      1.00000
     50     -10.5586      1.00000
     51     -10.4848      1.00000
     52     -10.4339      1.00000
     53     -10.4239      1.00000
     54     -10.3707      1.00000
     55     -10.2934      1.00000
     56     -10.0662      1.00000
     57      -9.8331      1.00000
     58      -9.5479      1.00000
     59      -9.4880      1.00000
     60      -9.4733      1.00000
     61      -9.3465      1.00000
     62      -9.3310      1.00000
     63      -9.3101      1.00000
     64      -9.3080      1.00000
     65      -9.2143      1.00000
     66      -9.1130      1.00000
     67      -9.0811      1.00000
     68      -9.0504      1.00000
     69      -8.8503      1.00000
     70      -8.7930      1.00000
     71      -8.7749      1.00000
     72      -8.5270      1.00000
     73      -8.4766      1.00000
     74      -8.2251      1.00000
     75      -8.1115      1.00000
     76      -8.0995      1.00000
     77      -7.8080      1.00000
     78      -7.7830      1.00000
     79      -7.7816      1.00000
     80      -7.6745      1.00000
     81      -7.6313      1.00000
     82      -7.6310      1.00000
     83      -7.3994      1.00000
     84      -7.3247      1.00000
     85      -7.1967      1.00000
     86      -6.8404      1.00000
     87      -6.8292      1.00000
     88      -6.6627      1.00000
     89      -6.5387      1.00000
     90      -6.3441      1.00000
     91      -6.3074      1.00000
     92      -6.1845      1.00000
     93      -6.1485      1.00000
     94      -5.9774      1.00000
     95      -5.5722      1.00000
     96      -5.4261      1.00000
     97      -5.2585      1.00000
     98      -5.2524      1.00000
     99      -5.1490      1.00000
    100      -4.6958      1.00000
    101      -4.6652      1.00000
    102      -4.3494      1.00000
    103      -4.3169      1.00000
    104      -3.9651      1.00000
    105      -3.8326      1.00000
    106      -3.3891      1.00000
    107      -2.2209      0.00000
    108      -1.3777      0.00000
    109      -1.2865      0.00000
    110      -1.1728      0.00000
    111      -1.0774      0.00000
    112      -0.8932      0.00000
    113      -0.7676      0.00000
    114      -0.7573      0.00000
    115      -0.2155      0.00000
    116       0.1126      0.00000
    117       0.2635      0.00000
    118       0.3460      0.00000
    119       0.7353      0.00000
    120       0.9038      0.00000
    121       0.9719      0.00000
    122       1.0953      0.00000
    123       1.2099      0.00000
    124       1.5305      0.00000
    125       1.5659      0.00000
    126       1.7163      0.00000
    127       1.8389      0.00000
    128       1.8625      0.00000
    129       1.9703      0.00000
    130       2.0018      0.00000
    131       2.1602      0.00000
    132       2.2709      0.00000
    133       2.4572      0.00000
    134       2.4691      0.00000
    135       2.5048      0.00000
    136       2.6661      0.00000
    137       2.6863      0.00000
    138       2.7342      0.00000
    139       2.7467      0.00000
    140       2.8955      0.00000
    141       3.0242      0.00000
    142       3.0862      0.00000
    143       3.1947      0.00000
    144       3.2532      0.00000
    145       3.2606      0.00000
    146       3.2711      0.00000
    147       3.3647      0.00000
    148       3.4854      0.00000
    149       3.5315      0.00000
    150       3.6992      0.00000
    151       3.7591      0.00000
    152       3.7704      0.00000
    153       3.8367      0.00000
    154       3.8835      0.00000
    155       3.9460      0.00000
    156       3.9857      0.00000
    157       4.0238      0.00000
    158       4.0516      0.00000
    159       4.0565      0.00000
    160       4.1236      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     -21.8868      1.00000
      4     -21.3348      1.00000
      5     -20.9820      1.00000
      6     -20.9434      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     -18.8152      1.00000
     14     -18.7439      1.00000
     15     -18.2905      1.00000
     16     -18.2364      1.00000
     17     -18.0859      1.00000
     18     -18.0660      1.00000
     19     -17.7620      1.00000
     20     -17.7191      1.00000
     21     -17.1891      1.00000
     22     -17.1700      1.00000
     23     -17.0999      1.00000
     24     -17.0640      1.00000
     25     -16.0379      1.00000
     26     -15.8237      1.00000
     27     -15.7999      1.00000
     28     -15.7645      1.00000
     29     -15.1741      1.00000
     30     -14.4917      1.00000
     31     -14.4586      1.00000
     32     -14.2182      1.00000
     33     -13.8952      1.00000
     34     -13.8904      1.00000
     35     -13.7562      1.00000
     36     -13.7359      1.00000
     37     -13.5523      1.00000
     38     -13.5031      1.00000
     39     -13.3001      1.00000
     40     -12.5644      1.00000
     41     -12.1261      1.00000
     42     -12.0661      1.00000
     43     -12.0107      1.00000
     44     -11.9517      1.00000
     45     -11.6113      1.00000
     46     -11.5882      1.00000
     47     -11.0860      1.00000
     48     -11.0522      1.00000
     49     -10.7545      1.00000
     50     -10.6642      1.00000
     51     -10.5283      1.00000
     52     -10.1486      1.00000
     53     -10.1390      1.00000
     54     -10.0961      1.00000
     55      -9.9532      1.00000
     56      -9.9480      1.00000
     57      -9.9174      1.00000
     58      -9.7384      1.00000
     59      -9.7311      1.00000
     60      -9.7015      1.00000
     61      -9.6905      1.00000
     62      -9.4309      1.00000
     63      -9.3638      1.00000
     64      -9.0881      1.00000
     65      -9.0067      1.00000
     66      -8.9751      1.00000
     67      -8.8885      1.00000
     68      -8.8112      1.00000
     69      -8.6590      1.00000
     70      -8.6351      1.00000
     71      -8.5808      1.00000
     72      -8.4788      1.00000
     73      -8.4684      1.00000
     74      -8.3986      1.00000
     75      -8.3946      1.00000
     76      -8.1838      1.00000
     77      -8.1157      1.00000
     78      -7.9770      1.00000
     79      -7.9169      1.00000
     80      -7.8469      1.00000
     81      -7.6188      1.00000
     82      -7.5304      1.00000
     83      -7.4695      1.00000
     84      -7.2519      1.00000
     85      -6.9344      1.00000
     86      -6.8580      1.00000
     87      -6.8110      1.00000
     88      -6.5756      1.00000
     89      -6.4679      1.00000
     90      -6.4206      1.00000
     91      -6.3566      1.00000
     92      -6.0530      1.00000
     93      -5.8781      1.00000
     94      -5.7531      1.00000
     95      -5.7217      1.00000
     96      -5.4776      1.00000
     97      -5.3463      1.00000
     98      -5.1802      1.00000
     99      -5.1561      1.00000
    100      -5.1546      1.00000
    101      -4.7082      1.00000
    102      -4.4412      1.00000
    103      -4.2569      1.00000
    104      -3.9967      1.00000
    105      -3.8314      1.00000
    106      -3.1559      1.00000
    107      -2.4633      0.00000
    108      -1.3786      0.00000
    109      -1.2420      0.00000
    110      -1.1457      0.00000
    111      -1.1146      0.00000
    112      -0.5626      0.00000
    113      -0.4347      0.00000
    114      -0.4293      0.00000
    115      -0.3107      0.00000
    116      -0.1892      0.00000
    117       0.0618      0.00000
    118       0.1179      0.00000
    119       0.5400      0.00000
    120       0.6842      0.00000
    121       0.8724      0.00000
    122       0.9694      0.00000
    123       1.1125      0.00000
    124       1.4966      0.00000
    125       1.6634      0.00000
    126       1.8070      0.00000
    127       1.8780      0.00000
    128       2.0953      0.00000
    129       2.1408      0.00000
    130       2.1970      0.00000
    131       2.2142      0.00000
    132       2.3401      0.00000
    133       2.3621      0.00000
    134       2.4880      0.00000
    135       2.5793      0.00000
    136       2.6703      0.00000
    137       2.8803      0.00000
    138       2.9381      0.00000
    139       2.9675      0.00000
    140       2.9981      0.00000
    141       3.0441      0.00000
    142       3.1523      0.00000
    143       3.1803      0.00000
    144       3.2491      0.00000
    145       3.2921      0.00000
    146       3.3338      0.00000
    147       3.3500      0.00000
    148       3.3808      0.00000
    149       3.4156      0.00000
    150       3.4982      0.00000
    151       3.5551      0.00000
    152       3.6353      0.00000
    153       3.6951      0.00000
    154       3.7110      0.00000
    155       3.7261      0.00000
    156       3.9219      0.00000
    157       3.9386      0.00000
    158       4.0605      0.00000
    159       4.0922      0.00000
    160       4.2053      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2480      1.00000
      2     -21.8954      1.00000
      3     -21.8216      1.00000
      4     -21.3165      1.00000
      5     -21.2775      1.00000
      6     -20.7718      1.00000
      7     -20.7026      1.00000
      8     -20.5547      1.00000
      9     -20.0231      1.00000
     10     -19.9905      1.00000
     11     -19.6505      1.00000
     12     -19.6193      1.00000
     13     -18.9437      1.00000
     14     -18.9087      1.00000
     15     -18.5843      1.00000
     16     -18.5465      1.00000
     17     -18.3923      1.00000
     18     -17.6023      1.00000
     19     -17.5708      1.00000
     20     -17.5414      1.00000
     21     -17.5085      1.00000
     22     -17.0749      1.00000
     23     -17.0274      1.00000
     24     -16.9003      1.00000
     25     -15.9458      1.00000
     26     -15.8511      1.00000
     27     -15.5336      1.00000
     28     -15.5067      1.00000
     29     -15.2092      1.00000
     30     -14.8145      1.00000
     31     -14.7614      1.00000
     32     -14.5099      1.00000
     33     -14.4679      1.00000
     34     -14.0962      1.00000
     35     -14.0931      1.00000
     36     -13.1056      1.00000
     37     -13.0300      1.00000
     38     -12.9569      1.00000
     39     -12.9495      1.00000
     40     -12.6563      1.00000
     41     -12.6276      1.00000
     42     -12.2744      1.00000
     43     -12.2472      1.00000
     44     -11.5733      1.00000
     45     -11.5535      1.00000
     46     -11.5006      1.00000
     47     -10.8789      1.00000
     48     -10.8689      1.00000
     49     -10.6849      1.00000
     50     -10.5257      1.00000
     51     -10.5204      1.00000
     52     -10.4334      1.00000
     53     -10.4162      1.00000
     54     -10.3704      1.00000
     55     -10.2884      1.00000
     56     -10.0615      1.00000
     57      -9.8319      1.00000
     58      -9.5602      1.00000
     59      -9.4848      1.00000
     60      -9.4461      1.00000
     61      -9.3554      1.00000
     62      -9.3396      1.00000
     63      -9.3081      1.00000
     64      -9.3028      1.00000
     65      -9.2061      1.00000
     66      -9.0994      1.00000
     67      -9.0682      1.00000
     68      -9.0491      1.00000
     69      -8.8537      1.00000
     70      -8.7965      1.00000
     71      -8.7787      1.00000
     72      -8.5270      1.00000
     73      -8.4982      1.00000
     74      -8.2301      1.00000
     75      -8.1293      1.00000
     76      -8.0935      1.00000
     77      -7.8073      1.00000
     78      -7.7677      1.00000
     79      -7.7393      1.00000
     80      -7.7046      1.00000
     81      -7.6365      1.00000
     82      -7.6242      1.00000
     83      -7.3871      1.00000
     84      -7.3438      1.00000
     85      -7.2165      1.00000
     86      -6.8438      1.00000
     87      -6.8204      1.00000
     88      -6.6408      1.00000
     89      -6.5292      1.00000
     90      -6.3420      1.00000
     91      -6.2730      1.00000
     92      -6.1956      1.00000
     93      -6.1316      1.00000
     94      -6.0216      1.00000
     95      -5.6384      1.00000
     96      -5.5085      1.00000
     97      -5.2978      1.00000
     98      -5.1560      1.00000
     99      -5.0402      1.00000
    100      -4.7271      1.00000
    101      -4.6855      1.00000
    102      -4.3683      1.00000
    103      -4.1865      1.00000
    104      -4.0099      1.00000
    105      -3.8309      1.00000
    106      -3.4842      1.00000
    107      -2.1641      0.00000
    108      -1.3831      0.00000
    109      -1.2363      0.00000
    110      -1.1842      0.00000
    111      -1.0138      0.00000
    112      -0.9563      0.00000
    113      -0.7976      0.00000
    114      -0.7521      0.00000
    115      -0.3634      0.00000
    116       0.2449      0.00000
    117       0.2767      0.00000
    118       0.3652      0.00000
    119       0.7015      0.00000
    120       0.8688      0.00000
    121       0.9658      0.00000
    122       1.1277      0.00000
    123       1.2373      0.00000
    124       1.4564      0.00000
    125       1.5585      0.00000
    126       1.7829      0.00000
    127       1.8511      0.00000
    128       1.8833      0.00000
    129       1.9889      0.00000
    130       2.0330      0.00000
    131       2.1978      0.00000
    132       2.2137      0.00000
    133       2.4049      0.00000
    134       2.4548      0.00000
    135       2.5505      0.00000
    136       2.6584      0.00000
    137       2.6849      0.00000
    138       2.7304      0.00000
    139       2.7714      0.00000
    140       2.8573      0.00000
    141       2.9683      0.00000
    142       3.0849      0.00000
    143       3.1894      0.00000
    144       3.2423      0.00000
    145       3.2580      0.00000
    146       3.2969      0.00000
    147       3.3376      0.00000
    148       3.4847      0.00000
    149       3.5124      0.00000
    150       3.7151      0.00000
    151       3.7254      0.00000
    152       3.7701      0.00000
    153       3.8632      0.00000
    154       3.8748      0.00000
    155       3.9017      0.00000
    156       3.9993      0.00000
    157       4.0009      0.00000
    158       4.0550      0.00000
    159       4.0647      0.00000
    160       4.0917      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3200      1.00000
      2     -21.7619      1.00000
      3     -21.5680      1.00000
      4     -21.5407      1.00000
      5     -21.2054      1.00000
      6     -21.1662      1.00000
      7     -20.9859      1.00000
      8     -20.0991      1.00000
      9     -20.0599      1.00000
     10     -19.5468      1.00000
     11     -19.5260      1.00000
     12     -19.3451      1.00000
     13     -19.0287      1.00000
     14     -18.9884      1.00000
     15     -18.9776      1.00000
     16     -18.9716      1.00000
     17     -18.2963      1.00000
     18     -18.2824      1.00000
     19     -17.9465      1.00000
     20     -17.0009      1.00000
     21     -16.9598      1.00000
     22     -16.8830      1.00000
     23     -16.8698      1.00000
     24     -16.4162      1.00000
     25     -16.3936      1.00000
     26     -15.5409      1.00000
     27     -15.5375      1.00000
     28     -15.1726      1.00000
     29     -15.1715      1.00000
     30     -15.1319      1.00000
     31     -15.0372      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     -13.1717      1.00000
     38     -12.5745      1.00000
     39     -12.5133      1.00000
     40     -12.3860      1.00000
     41     -12.3858      1.00000
     42     -12.0351      1.00000
     43     -12.0313      1.00000
     44     -11.6548      1.00000
     45     -11.6145      1.00000
     46     -11.2079      1.00000
     47     -11.1570      1.00000
     48     -10.9561      1.00000
     49     -10.9427      1.00000
     50     -10.8604      1.00000
     51     -10.8280      1.00000
     52     -10.6269      1.00000
     53     -10.1482      1.00000
     54     -10.0851      1.00000
     55     -10.0259      1.00000
     56      -9.9468      1.00000
     57      -9.6317      1.00000
     58      -9.6295      1.00000
     59      -9.6033      1.00000
     60      -9.5408      1.00000
     61      -9.5036      1.00000
     62      -9.4785      1.00000
     63      -9.2739      1.00000
     64      -9.2359      1.00000
     65      -9.2077      1.00000
     66      -9.1794      1.00000
     67      -9.0623      1.00000
     68      -9.0474      1.00000
     69      -9.0439      1.00000
     70      -8.8772      1.00000
     71      -8.8085      1.00000
     72      -8.5392      1.00000
     73      -8.5325      1.00000
     74      -8.5045      1.00000
     75      -8.0320      1.00000
     76      -7.8318      1.00000
     77      -7.8020      1.00000
     78      -7.7738      1.00000
     79      -7.7043      1.00000
     80      -7.6846      1.00000
     81      -7.4104      1.00000
     82      -7.2892      1.00000
     83      -7.2517      1.00000
     84      -7.2036      1.00000
     85      -7.0825      1.00000
     86      -7.0732      1.00000
     87      -6.9374      1.00000
     88      -6.7124      1.00000
     89      -6.6745      1.00000
     90      -6.6290      1.00000
     91      -6.5568      1.00000
     92      -6.0725      1.00000
     93      -6.0322      1.00000
     94      -6.0014      1.00000
     95      -5.9366      1.00000
     96      -5.8011      1.00000
     97      -5.1829      1.00000
     98      -4.8956      1.00000
     99      -4.7940      1.00000
    100      -4.6109      1.00000
    101      -4.5124      1.00000
    102      -4.1409      1.00000
    103      -4.0925      1.00000
    104      -3.9312      1.00000
    105      -3.9167      1.00000
    106      -3.8300      1.00000
    107      -1.7514      0.00000
    108      -1.6957      0.00000
    109      -1.4098      0.00000
    110      -1.3722      0.00000
    111      -1.2643      0.00000
    112      -1.2358      0.00000
    113      -0.6220      0.00000
    114      -0.5989      0.00000
    115      -0.1901      0.00000
    116       0.0439      0.00000
    117       0.5849      0.00000
    118       0.7408      0.00000
    119       0.8503      0.00000
    120       0.9283      0.00000
    121       1.1676      0.00000
    122       1.2116      0.00000
    123       1.2472      0.00000
    124       1.4217      0.00000
    125       1.5997      0.00000
    126       1.6406      0.00000
    127       1.7058      0.00000
    128       1.8053      0.00000
    129       1.9229      0.00000
    130       1.9400      0.00000
    131       2.1505      0.00000
    132       2.1743      0.00000
    133       2.2620      0.00000
    134       2.3037      0.00000
    135       2.5441      0.00000
    136       2.5622      0.00000
    137       2.6365      0.00000
    138       2.7615      0.00000
    139       2.8135      0.00000
    140       2.8451      0.00000
    141       2.8938      0.00000
    142       2.9429      0.00000
    143       3.0175      0.00000
    144       3.0305      0.00000
    145       3.0915      0.00000
    146       3.3156      0.00000
    147       3.3687      0.00000
    148       3.4164      0.00000
    149       3.4816      0.00000
    150       3.6083      0.00000
    151       3.6582      0.00000
    152       3.6666      0.00000
    153       3.6802      0.00000
    154       3.8952      0.00000
    155       3.9816      0.00000
    156       4.0284      0.00000
    157       4.0755      0.00000
    158       4.2396      0.00000
    159       4.2589      0.00000
    160       4.2701      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     -21.8862      1.00000
      4     -21.3357      1.00000
      5     -20.9771      1.00000
      6     -20.9475      1.00000
      7     -20.4284      1.00000
      8     -20.3962      1.00000
      9     -20.2166      1.00000
     10     -20.2141      1.00000
     11     -19.8880      1.00000
     12     -19.8242      1.00000
     13     -18.8180      1.00000
     14     -18.7470      1.00000
     15     -18.2657      1.00000
     16     -18.2525      1.00000
     17     -18.0807      1.00000
     18     -18.0736      1.00000
     19     -17.7458      1.00000
     20     -17.7309      1.00000
     21     -17.1956      1.00000
     22     -17.1716      1.00000
     23     -17.0889      1.00000
     24     -17.0681      1.00000
     25     -16.0550      1.00000
     26     -15.8085      1.00000
     27     -15.7989      1.00000
     28     -15.7780      1.00000
     29     -15.1592      1.00000
     30     -14.4858      1.00000
     31     -14.4644      1.00000
     32     -14.2042      1.00000
     33     -13.9179      1.00000
     34     -13.8871      1.00000
     35     -13.7599      1.00000
     36     -13.7390      1.00000
     37     -13.5360      1.00000
     38     -13.5109      1.00000
     39     -13.3018      1.00000
     40     -12.5775      1.00000
     41     -12.1009      1.00000
     42     -12.0777      1.00000
     43     -11.9984      1.00000
     44     -11.9510      1.00000
     45     -11.6068      1.00000
     46     -11.5987      1.00000
     47     -11.0856      1.00000
     48     -11.0610      1.00000
     49     -10.7322      1.00000
     50     -10.6645      1.00000
     51     -10.5617      1.00000
     52     -10.1403      1.00000
     53     -10.1359      1.00000
     54     -10.1009      1.00000
     55      -9.9669      1.00000
     56      -9.9256      1.00000
     57      -9.9217      1.00000
     58      -9.7523      1.00000
     59      -9.7296      1.00000
     60      -9.6979      1.00000
     61      -9.6949      1.00000
     62      -9.4026      1.00000
     63      -9.3891      1.00000
     64      -9.0708      1.00000
     65      -8.9830      1.00000
     66      -8.9818      1.00000
     67      -8.9060      1.00000
     68      -8.8119      1.00000
     69      -8.6509      1.00000
     70      -8.6341      1.00000
     71      -8.5512      1.00000
     72      -8.5019      1.00000
     73      -8.4826      1.00000
     74      -8.3943      1.00000
     75      -8.3830      1.00000
     76      -8.2101      1.00000
     77      -8.1033      1.00000
     78      -8.0071      1.00000
     79      -7.9029      1.00000
     80      -7.8451      1.00000
     81      -7.6219      1.00000
     82      -7.5335      1.00000
     83      -7.4562      1.00000
     84      -7.2491      1.00000
     85      -6.9445      1.00000
     86      -6.8695      1.00000
     87      -6.8106      1.00000
     88      -6.4780      1.00000
     89      -6.4682      1.00000
     90      -6.4094      1.00000
     91      -6.3599      1.00000
     92      -6.1928      1.00000
     93      -5.8583      1.00000
     94      -5.7378      1.00000
     95      -5.7111      1.00000
     96      -5.5243      1.00000
     97      -5.3295      1.00000
     98      -5.1721      1.00000
     99      -5.1676      1.00000
    100      -5.1341      1.00000
    101      -4.6959      1.00000
    102      -4.3486      1.00000
    103      -4.2826      1.00000
    104      -4.0301      1.00000
    105      -3.8324      1.00000
    106      -3.2335      1.00000
    107      -2.4047      0.00000
    108      -1.3449      0.00000
    109      -1.2446      0.00000
    110      -1.1526      0.00000
    111      -1.1084      0.00000
    112      -0.5816      0.00000
    113      -0.5224      0.00000
    114      -0.4338      0.00000
    115      -0.2748      0.00000
    116      -0.0695      0.00000
    117      -0.0107      0.00000
    118       0.0598      0.00000
    119       0.5833      0.00000
    120       0.7108      0.00000
    121       0.8110      0.00000
    122       0.9454      0.00000
    123       1.1846      0.00000
    124       1.5115      0.00000
    125       1.6213      0.00000
    126       1.8625      0.00000
    127       2.0067      0.00000
    128       2.0517      0.00000
    129       2.1157      0.00000
    130       2.1525      0.00000
    131       2.2637      0.00000
    132       2.2864      0.00000
    133       2.3486      0.00000
    134       2.4602      0.00000
    135       2.6101      0.00000
    136       2.7025      0.00000
    137       2.8216      0.00000
    138       2.9148      0.00000
    139       2.9424      0.00000
    140       3.0191      0.00000
    141       3.0518      0.00000
    142       3.1585      0.00000
    143       3.1629      0.00000
    144       3.2282      0.00000
    145       3.3003      0.00000
    146       3.3122      0.00000
    147       3.3538      0.00000
    148       3.3743      0.00000
    149       3.4185      0.00000
    150       3.4510      0.00000
    151       3.5652      0.00000
    152       3.6149      0.00000
    153       3.7023      0.00000
    154       3.7251      0.00000
    155       3.8497      0.00000
    156       3.9073      0.00000
    157       3.9332      0.00000
    158       3.9630      0.00000
    159       4.1504      0.00000
    160       4.1842      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     -20.9104      1.00000
      6     -20.8694      1.00000
      7     -20.5397      1.00000
      8     -20.5070      1.00000
      9     -20.5001      1.00000
     10     -19.9628      1.00000
     11     -19.4417      1.00000
     12     -19.4189      1.00000
     13     -19.2404      1.00000
     14     -19.2330      1.00000
     15     -18.3767      1.00000
     16     -18.3413      1.00000
     17     -17.8595      1.00000
     18     -17.8429      1.00000
     19     -17.6919      1.00000
     20     -17.6557      1.00000
     21     -17.3729      1.00000
     22     -17.3582      1.00000
     23     -17.2676      1.00000
     24     -16.4139      1.00000
     25     -16.3904      1.00000
     26     -15.9056      1.00000
     27     -15.3437      1.00000
     28     -15.3389      1.00000
     29     -15.0313      1.00000
     30     -15.0217      1.00000
     31     -14.7762      1.00000
     32     -14.7746      1.00000
     33     -14.2390      1.00000
     34     -14.1872      1.00000
     35     -13.3891      1.00000
     36     -13.3336      1.00000
     37     -13.1113      1.00000
     38     -13.1034      1.00000
     39     -12.9187      1.00000
     40     -12.9128      1.00000
     41     -12.5455      1.00000
     42     -12.5380      1.00000
     43     -12.1344      1.00000
     44     -11.5138      1.00000
     45     -11.4693      1.00000
     46     -11.2448      1.00000
     47     -11.2131      1.00000
     48     -11.0877      1.00000
     49     -10.7092      1.00000
     50     -10.5955      1.00000
     51     -10.5099      1.00000
     52     -10.2521      1.00000
     53     -10.2481      1.00000
     54     -10.1219      1.00000
     55     -10.0541      1.00000
     56     -10.0395      1.00000
     57      -9.7863      1.00000
     58      -9.6878      1.00000
     59      -9.6741      1.00000
     60      -9.6383      1.00000
     61      -9.6285      1.00000
     62      -9.5857      1.00000
     63      -9.2965      1.00000
     64      -9.2843      1.00000
     65      -9.2529      1.00000
     66      -9.0683      1.00000
     67      -8.8951      1.00000
     68      -8.8845      1.00000
     69      -8.7186      1.00000
     70      -8.5839      1.00000
     71      -8.5261      1.00000
     72      -8.3513      1.00000
     73      -8.3048      1.00000
     74      -8.2431      1.00000
     75      -8.2385      1.00000
     76      -8.1943      1.00000
     77      -8.1820      1.00000
     78      -8.1697      1.00000
     79      -8.1120      1.00000
     80      -7.6906      1.00000
     81      -7.4151      1.00000
     82      -7.3457      1.00000
     83      -7.2582      1.00000
     84      -7.1697      1.00000
     85      -7.1111      1.00000
     86      -7.0032      1.00000
     87      -6.9041      1.00000
     88      -6.8467      1.00000
     89      -6.5414      1.00000
     90      -6.4997      1.00000
     91      -6.2150      1.00000
     92      -6.2013      1.00000
     93      -5.8946      1.00000
     94      -5.6739      1.00000
     95      -5.6092      1.00000
     96      -5.5804      1.00000
     97      -5.2532      1.00000
     98      -5.2315      1.00000
     99      -5.1649      1.00000
    100      -5.1346      1.00000
    101      -4.5997      1.00000
    102      -4.2524      1.00000
    103      -4.0466      1.00000
    104      -3.8848      1.00000
    105      -3.8440      1.00000
    106      -3.8017      1.00000
    107      -1.8073      0.00000
    108      -1.7803      0.00000
    109      -1.2247      0.00000
    110      -1.1765      0.00000
    111      -0.9738      0.00000
    112      -0.7338      0.00000
    113      -0.6508      0.00000
    114      -0.5939      0.00000
    115      -0.5496      0.00000
    116      -0.1497      0.00000
    117       0.1756      0.00000
    118       0.2881      0.00000
    119       0.7065      0.00000
    120       0.9504      0.00000
    121       1.1688      0.00000
    122       1.2782      0.00000
    123       1.3480      0.00000
    124       1.5132      0.00000
    125       1.6088      0.00000
    126       1.6287      0.00000
    127       1.6923      0.00000
    128       1.7745      0.00000
    129       1.8641      0.00000
    130       2.0787      0.00000
    131       2.1684      0.00000
    132       2.3180      0.00000
    133       2.3961      0.00000
    134       2.4239      0.00000
    135       2.5578      0.00000
    136       2.6256      0.00000
    137       2.6882      0.00000
    138       2.7453      0.00000
    139       2.8171      0.00000
    140       2.9099      0.00000
    141       3.0551      0.00000
    142       3.0623      0.00000
    143       3.1861      0.00000
    144       3.2828      0.00000
    145       3.3811      0.00000
    146       3.4161      0.00000
    147       3.4617      0.00000
    148       3.5470      0.00000
    149       3.5777      0.00000
    150       3.6352      0.00000
    151       3.6651      0.00000
    152       3.7015      0.00000
    153       3.7889      0.00000
    154       3.7999      0.00000
    155       3.8268      0.00000
    156       3.8962      0.00000
    157       3.9096      0.00000
    158       3.9807      0.00000
    159       4.1913      0.00000
    160       4.2345      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0400   -7.2575    3.9846   -1.1333   -0.1860   17.3783    0.4869   -0.8141    0.7718   -0.4779
x    -3.1244   -0.0256   -0.0215   -0.0251    0.0904   -3.0536    0.0302   -0.0244    0.0084    0.0018
x    -0.0955   -0.0027    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   204.0400    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   -0.0984   -0.0314    0.0619    0.0188
y     0.0230   -3.2428   -0.1790    0.1704   -2.4191   -0.6650
z   204.0400    1.7511    0.2954    0.0877    0.0009    0.0706   -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    0.0987    0.0006   -0.0010   -0.0001   -0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0012   -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  -16.5966
z     0.1408    0.2358   -0.0286    0.0578   -0.0951    0.0006
 total charge-density along one line
x   212.0000  -10.0888    5.9315   -1.9423   -0.4216   19.2975   -0.6625    0.2078    0.0673   -0.1078
x    -2.7042   -0.0093    0.0007   -0.0437    0.0957   -2.3447    0.0476   -0.0345    0.0118    0.0025
x    -0.0856   -0.0053    0.0082   -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  -10.0888    5.9315   -1.9422   -0.4216   19.2975   -0.6625    0.2078    0.0673   -0.1078
y    -2.7042   -0.0093    0.0007   -0.0437    0.0957   -2.3447    0.0476   -0.0345    0.0118    0.0025
y    -0.0856   -0.0053    0.0082   -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 -205.3385  188.9488 -170.2151  154.0240 -140.2291  126.2726 -110.8055   94.5769  -78.9552
z    64.6280  -51.7178   40.4779  -31.3895   24.6249  -19.6883   15.7213  -12.1272    8.8619   -6.1894
z     4.2565   -2.9252    1.9366   -1.1387    0.5325   -0.1484   -0.0643    0.2138   -0.3664    0.5001
z    -0.5563    0.5195   -0.4364    0.3675   -0.3342    0.3153   -0.2839    0.2367   -0.1899    0.1566
z    -0.1346    0.1145   -0.0921    0.0716   -0.0576    0.0499   -0.0441    0.0370   -0.0296    0.0239
z    -0.0207    0.0185   -0.0159    0.0129   -0.0103    0.0084   -0.0068    0.0053   -0.0039    0.0028
z    -0.0020    0.0012   -0.0004   -0.0002    0.0004   -0.0004    0.0004   -0.0006    0.0007   -0.0007
z     0.0004   -0.0002    0.0001    0.0000    0.0000    0.0001   -0.0002    0.0003   -0.0003    0.0003
z    -0.0003    0.0002   -0.0002    0.0001   -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0000   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.941   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  -0.026   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 -11.246   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  -0.026   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  -0.025   0.025   0.000  -0.001   0.000   0.000
  0.000   1.587   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   0.018   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   0.100   0.000  -0.024   0.190  -0.052   0.000   0.115   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   0.065  -0.011
  0.057   0.000   0.356   0.000  -0.035   0.100   0.000   0.567   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   0.105   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   0.003  -0.024   0.000  -0.057   0.000   0.036  -0.108   0.030   0.000  -0.068   0.000   0.000
 -0.025   0.000  -0.233   0.000   0.010   0.190   0.000   0.703   0.000  -0.108   1.351  -0.432   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  -0.432   0.192   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   0.011  -0.004
 -0.001   0.000   0.096   0.000   0.003   0.115   0.000   0.088   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   0.065   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  -0.036   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  -0.040   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   2.647
  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   1.785   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   2.646
 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   2.646
 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   2.647
 52        0.864   1.782   0.000   2.646
 53        0.864   1.783   0.000   2.646
------------------------------------------------
tot       44.831  89.436   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  113.15: CPU time   57.28
    FORLOC:  VPU time    1.25: CPU time    1.25
    FORNL :  VPU time  442.36: CPU time  221.74
    STRESS:  VPU time 1353.95: CPU time  680.92
    FORCOR:  VPU time    8.54: CPU time    8.53
    FORHAR:  VPU time    2.26: CPU time    2.27
    MIXING:  VPU time    0.16: CPU time    0.16
 d Force = 0.3805711E-04[ 0.161E-04, 0.600E-04]  d Energy = 0.4293840E-04-0.488E-05
 d Force = 0.7585707E+00[ 0.759E+00, 0.759E+00]  d Ewald  =-0.1720818E+01 0.248E+01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.644961 eV

  energy  without entropy=     -471.644961  energy(sigma->0) =     -471.644961
 

  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    40727.52  40743.06 -47426.58     13.46      0.00      0.00
  Hartree  40193.85  40196.91 -39446.49      2.66      0.00      0.00
  E(xc)     -779.74   -779.55   -807.26      0.17      0.00      0.00
  Local   -83214.60 -83227.16  84190.60    -10.87      0.00      0.00
  n-local   -215.79   -215.67   -203.83     -0.16      0.00      0.00
  augment     22.10     20.54     17.35     -1.35      0.00      0.00
  Kinetic   3168.73   3171.51   3582.15     -6.06      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.23     -0.20     -0.12      0.03      0.00      0.00
  in kB       -0.14     -0.12     -0.08      0.02      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
    12.347533787  0.001517055  0.000000000     0.080982090  0.046741835  0.000000000
    -6.172459728 10.694032283  0.000000000    -0.000011488  0.093503467  0.000000000
     0.000000000  0.000000000 19.977100594     0.000000000  0.000000000  0.050057314

  length of vectors
    12.347533880 12.347533582 19.977100594     0.093503465  0.093503467  0.050057314


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.484E-05 -.454E-04 -.961E+03   0.435E-05 -.274E-04 0.969E+03   0.138E-23 0.138E-23 -.785E+01   -.500E-07 0.227E-07 0.124E-01
   -.175E+02 -.303E+02 -.136E+03   0.183E+02 0.318E+02 0.139E+03   -.826E+00 -.143E+01 -.258E+01   -.419E-03 -.727E-03 -.422E-03
   0.175E+02 0.303E+02 -.136E+03   -.183E+02 -.318E+02 0.139E+03   0.826E+00 0.143E+01 -.258E+01   0.419E-03 0.727E-03 -.422E-03
   -.196E+01 0.113E+01 0.178E+02   0.197E+01 -.114E+01 -.178E+02   -.103E-01 0.596E-02 -.376E-02   -.380E-04 0.190E-04 0.187E-02
   0.580E+01 0.685E+01 0.203E+02   -.581E+01 -.688E+01 -.203E+02   0.553E-02 0.347E-01 -.193E-01   -.109E-02 0.264E-02 0.262E-02
   0.112E+02 0.506E+01 0.186E+02   -.113E+02 -.507E+01 -.185E+02   0.271E-01 0.950E-02 -.545E-01   0.106E-02 -.131E-02 0.384E-04
   0.451E+01 -.101E+01 0.163E+02   -.453E+01 0.102E+01 -.163E+02   0.202E-01 -.179E-01 -.227E-02   0.696E-03 -.924E-03 0.710E-03
   -.292E+01 -.241E+01 0.154E+02   0.293E+01 0.242E+01 -.154E+02   -.150E-01 -.150E-01 0.277E-02   -.547E-03 0.100E-02 -.448E-03
   0.625E+00 0.373E+01 0.154E+02   -.631E+00 -.375E+01 -.154E+02   0.547E-02 0.205E-01 0.277E-02   -.115E-02 -.338E-04 -.451E-03
   0.274E+01 0.182E+02 0.249E+02   -.275E+01 -.183E+02 -.249E+02   0.739E-02 0.108E+00 -.644E-02   -.158E-03 -.307E-02 0.211E-03
   0.214E+02 0.226E+02 0.396E+02   -.216E+02 -.228E+02 -.396E+02   0.115E+00 0.231E+00 -.168E-01   -.294E-03 0.372E-02 -.124E-02
   0.265E+02 -.451E+01 0.265E+02   -.268E+02 0.464E+01 -.264E+02   0.237E+00 -.118E+00 -.570E-01   -.398E-03 0.109E-02 0.240E-03
   0.918E+01 -.530E+01 0.155E+02   -.919E+01 0.531E+01 -.155E+02   0.162E-01 -.935E-02 0.494E-02   -.172E-02 0.989E-03 0.376E-03
   0.313E+01 -.340E+01 0.163E+02   -.315E+01 0.341E+01 -.163E+02   0.256E-01 -.858E-02 -.227E-02   0.115E-02 -.146E-03 0.702E-03
   -.606E+01 0.132E+02 0.199E+02   0.607E+01 -.133E+02 -.199E+02   -.439E-02 0.737E-01 -.103E-01   0.123E-02 -.871E-03 0.468E-03
   -.123E+02 0.335E+02 0.454E+02   0.124E+02 -.342E+02 -.457E+02   -.946E-01 0.680E+00 0.348E+00   -.215E-02 -.101E-02 0.798E-03
   0.265E+02 -.153E+02 0.687E+02   -.275E+02 0.159E+02 -.709E+02   0.972E+00 -.561E+00 0.210E+01   -.298E-02 0.172E-02 0.387E-02
   0.172E+02 -.207E+02 0.265E+02   -.174E+02 0.209E+02 -.264E+02   0.221E+00 -.146E+00 -.570E-01   -.115E-02 -.209E-03 0.236E-03
   0.124E+01 -.123E+02 0.186E+02   -.124E+01 0.123E+02 -.185E+02   0.533E-02 -.282E-01 -.545E-01   0.166E-02 -.264E-03 0.327E-04
   -.387E+01 0.154E+01 0.145E+02   0.388E+01 -.154E+01 -.145E+02   -.713E-02 0.328E-02 -.414E-01   -.202E-03 0.129E-02 0.471E-03
   -.182E+02 0.105E+02 0.206E+02   0.183E+02 -.105E+02 -.204E+02   -.654E-01 0.377E-01 -.129E+00   -.143E-02 0.828E-03 0.108E-03
   -.352E+02 -.614E+01 0.454E+02   0.358E+02 0.640E+01 -.457E+02   -.636E+00 -.258E+00 0.348E+00   -.201E-03 0.236E-02 0.801E-03
   -.883E+01 -.299E+02 0.396E+02   0.897E+01 0.301E+02 -.396E+02   -.142E+00 -.215E+00 -.168E-01   -.336E-02 -.161E-02 -.124E-02
   -.303E+01 -.845E+01 0.203E+02   0.305E+01 0.847E+01 -.203E+02   -.272E-01 -.221E-01 -.193E-01   -.283E-02 -.373E-03 0.262E-02
   0.127E+01 -.735E+00 0.154E+02   -.127E+01 0.734E+00 -.154E+02   -.232E-02 0.134E-02 -.283E-01   -.757E-03 0.439E-03 -.648E-03
   -.327E+01 0.258E+01 0.145E+02   0.327E+01 -.259E+01 -.145E+02   -.641E-02 0.453E-02 -.414E-01   -.121E-02 -.463E-03 0.475E-03
   -.144E+02 -.134E+01 0.199E+02   0.145E+02 0.137E+01 -.199E+02   -.661E-01 -.331E-01 -.103E-01   0.137E-02 -.632E-03 0.476E-03
   -.144E+02 -.115E+02 0.249E+02   0.145E+02 0.115E+02 -.249E+02   -.897E-01 -.603E-01 -.644E-02   0.258E-02 0.167E-02 0.214E-03
   0.303E+01 0.845E+01 0.203E+02   -.305E+01 -.847E+01 -.203E+02   0.272E-01 0.221E-01 -.193E-01   0.283E-02 0.373E-03 0.262E-02
   0.144E+02 0.115E+02 0.249E+02   -.145E+02 -.115E+02 -.249E+02   0.897E-01 0.603E-01 -.644E-02   -.258E-02 -.167E-02 0.214E-03
   0.144E+02 0.134E+01 0.199E+02   -.145E+02 -.137E+01 -.199E+02   0.661E-01 0.331E-01 -.103E-01   -.137E-02 0.632E-03 0.476E-03
   0.327E+01 -.258E+01 0.145E+02   -.327E+01 0.259E+01 -.145E+02   0.641E-02 -.453E-02 -.414E-01   0.121E-02 0.463E-03 0.475E-03
   -.127E+01 0.735E+00 0.154E+02   0.127E+01 -.734E+00 -.154E+02   0.232E-02 -.134E-02 -.283E-01   0.757E-03 -.439E-03 -.648E-03
   -.124E+01 0.123E+02 0.186E+02   0.124E+01 -.123E+02 -.185E+02   -.533E-02 0.282E-01 -.545E-01   -.166E-02 0.264E-03 0.327E-04
   0.883E+01 0.299E+02 0.396E+02   -.897E+01 -.301E+02 -.396E+02   0.142E+00 0.215E+00 -.168E-01   0.336E-02 0.161E-02 -.124E-02
   0.352E+02 0.614E+01 0.454E+02   -.358E+02 -.640E+01 -.457E+02   0.636E+00 0.258E+00 0.348E+00   0.201E-03 -.236E-02 0.801E-03
   0.182E+02 -.105E+02 0.206E+02   -.183E+02 0.105E+02 -.204E+02   0.654E-01 -.377E-01 -.129E+00   0.143E-02 -.828E-03 0.108E-03
   0.387E+01 -.154E+01 0.145E+02   -.388E+01 0.154E+01 -.145E+02   0.713E-02 -.328E-02 -.414E-01   0.202E-03 -.129E-02 0.471E-03
   -.313E+01 0.340E+01 0.163E+02   0.315E+01 -.341E+01 -.163E+02   -.256E-01 0.858E-02 -.227E-02   -.115E-02 0.146E-03 0.702E-03
   -.172E+02 0.207E+02 0.265E+02   0.174E+02 -.209E+02 -.264E+02   -.221E+00 0.146E+00 -.570E-01   0.115E-02 0.209E-03 0.236E-03
   -.265E+02 0.153E+02 0.687E+02   0.275E+02 -.159E+02 -.709E+02   -.972E+00 0.561E+00 0.210E+01   0.298E-02 -.172E-02 0.387E-02
   0.123E+02 -.335E+02 0.454E+02   -.124E+02 0.342E+02 -.457E+02   0.946E-01 -.680E+00 0.348E+00   0.215E-02 0.101E-02 0.798E-03
   0.606E+01 -.132E+02 0.199E+02   -.607E+01 0.133E+02 -.199E+02   0.439E-02 -.737E-01 -.103E-01   -.123E-02 0.871E-03 0.468E-03
   -.625E+00 -.373E+01 0.154E+02   0.631E+00 0.375E+01 -.154E+02   -.547E-02 -.205E-01 0.277E-02   0.115E-02 0.338E-04 -.451E-03
   -.918E+01 0.530E+01 0.155E+02   0.919E+01 -.531E+01 -.155E+02   -.162E-01 0.935E-02 0.494E-02   0.172E-02 -.989E-03 0.376E-03
   -.265E+02 0.451E+01 0.265E+02   0.268E+02 -.464E+01 -.264E+02   -.237E+00 0.118E+00 -.570E-01   0.398E-03 -.109E-02 0.240E-03
   -.214E+02 -.226E+02 0.396E+02   0.216E+02 0.228E+02 -.396E+02   -.115E+00 -.231E+00 -.168E-01   0.294E-03 -.372E-02 -.124E-02
   -.274E+01 -.182E+02 0.249E+02   0.275E+01 0.183E+02 -.249E+02   -.739E-02 -.108E+00 -.644E-02   0.158E-03 0.307E-02 0.211E-03
   0.196E+01 -.113E+01 0.178E+02   -.197E+01 0.114E+01 -.178E+02   0.103E-01 -.596E-02 -.376E-02   0.380E-04 -.190E-04 0.187E-02
   0.292E+01 0.241E+01 0.154E+02   -.293E+01 -.242E+01 -.154E+02   0.150E-01 0.150E-01 0.277E-02   0.547E-03 -.100E-02 -.448E-03
   -.451E+01 0.101E+01 0.163E+02   0.453E+01 -.102E+01 -.163E+02   -.202E-01 0.179E-01 -.227E-02   -.696E-03 0.924E-03 0.710E-03
   -.112E+02 -.506E+01 0.186E+02   0.113E+02 0.507E+01 -.185E+02   -.271E-01 -.950E-02 -.545E-01   -.106E-02 0.131E-02 0.384E-04
   -.580E+01 -.685E+01 0.203E+02   0.581E+01 0.688E+01 -.203E+02   -.553E-02 -.347E-01 -.193E-01   0.109E-02 -.264E-02 0.262E-02
 -----------------------------------------------------------------------------------------------
   -.183E-02 0.313E-03 0.851E+01   -.154E-12 0.108E-12 -.117E-12   0.387E-15 -.486E-15 -.855E+01   -.817E-07 0.520E-07 0.382E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85287      6.06061     12.31938         0.000000      0.000000      0.016606
      2.25940      6.76474     13.64000         0.005866      0.010160      0.007414
      1.44634      5.35648     13.64000        -0.005866     -0.010160      0.007414
      0.00058     -0.00033      9.93656        -0.002563      0.001480     -0.002504
     11.11229      2.13912      9.93906        -0.002416      0.005423     -0.003292
      9.87670      4.27868      9.95299         0.004022      0.000333      0.000037
      8.64334      6.41799      9.95333         0.001943     -0.001735     -0.000910
     -4.93636      8.55529      9.94663        -0.000411      0.001264      0.000950
      2.47025     -0.00113      9.94663        -0.001300     -0.000276      0.000950
      1.23475      2.13615      9.95245        -0.003726     -0.005526     -0.000007
     -0.00396      4.27472      9.98340        -0.003566      0.008245      0.001995
     -1.23849      6.41581      9.99047         0.000266      0.003262     -0.000308
     -2.46718      8.55479      9.96143        -0.003415      0.001971     -0.000569
      4.93861      0.00121      9.95333         0.002474     -0.000815     -0.000910
      3.70483      2.13646      9.96172         0.002671     -0.003509     -0.000428
      2.47078      4.26290     10.02895        -0.008066      0.000855     -0.001415
      1.22840      6.42115     10.10201        -0.010430      0.006022     -0.006412
     -0.00042      8.56021      9.99047        -0.002692     -0.001861     -0.000308
      7.40798      0.00273      9.95299         0.001723     -0.003650      0.000037
      6.17346      2.13990      9.95360        -0.001230      0.002127     -0.000284
      4.94040      4.27802      9.98442        -0.002857      0.001649     -0.000222
      3.71868      6.42434     10.02895        -0.004774      0.006558     -0.001415
      2.47108      8.56161      9.98340        -0.008923     -0.001034      0.001995
      9.87869      0.00247      9.93906        -0.005904     -0.000619     -0.003292
      8.64275      2.14047      9.94188        -0.002002      0.001156      0.001315
      7.40860      4.27922      9.95360        -0.002457      0.000002     -0.000284
      6.17726      6.41884      9.96172         0.004375     -0.000559     -0.000428
      4.94249      8.55815      9.95245         0.002922      0.005990     -0.000007
     -0.00049      1.42472      9.93906         0.005904      0.000619     -0.003292
     -1.23675      3.56306      9.95245        -0.002922     -0.005990     -0.000007
     -2.47152      5.70238      9.96172        -0.004375      0.000559     -0.000428
     -3.70286      7.84199      9.95360         0.002457     -0.000002     -0.000284
     -4.93701      9.98075      9.94188         0.002002     -0.001156      0.001315
      2.47022      1.42445      9.95299        -0.001723      0.003650      0.000037
      1.23466      3.55960      9.98340         0.008923      0.001034      0.001995
     -0.01294      5.69688     10.02895         0.004774     -0.006558     -0.001415
     -1.23466      7.84319      9.98442         0.002857     -0.001649     -0.000222
     -2.46772      9.98132      9.95360         0.001230     -0.002127     -0.000284
      4.93959      1.42598      9.95333        -0.002474      0.000815     -0.000910
      3.70616      3.56101      9.99047         0.002692      0.001861     -0.000308
      2.47734      5.70007     10.10201         0.010430     -0.006022     -0.006412
      1.23496      7.85832     10.02895         0.008066     -0.000855     -0.001415
      0.00091      9.98476      9.96172        -0.002671      0.003509     -0.000428
      7.40795      1.42831      9.94663         0.001300      0.000276      0.000950
      6.17292      3.56643      9.96143         0.003415     -0.001971     -0.000569
      4.94423      5.70541      9.99047        -0.000266     -0.003262     -0.000308
      3.70970      7.84649      9.98340         0.003566     -0.008245      0.001995
      2.47099      9.98507      9.95245         0.003726      0.005526     -0.000007
      9.87762      1.42752      9.93656         0.002563     -0.001480     -0.002504
      8.64210      3.56593      9.94663         0.000411     -0.001264      0.000950
      7.40994      5.70475      9.95333        -0.001943      0.001735     -0.000910
      6.17657      7.84405      9.95299        -0.004022     -0.000333      0.000037
      4.94099      9.98362      9.93906         0.002416     -0.005423     -0.003292
 -----------------------------------------------------------------------------------
    total drift:                               -0.001830      0.000313     -0.000083


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


 Conjugate gradient step on ions:
 trial-energy change:   -0.000043  1 .order   -0.000040   -0.000062   -0.000019
  (g-gl).g = 0.620E-04      g.g   = 0.805E-04  gl.gl    = 0.154E-02
 g(Force)  = 0.760E-04   g(Stress)= 0.453E-05 ortho     = 0.859E-05
 gamma     =   0.04026
 trial     =   0.76439
 opt step  =   1.09677  (harmonic =   1.09677) maximal distance =0.00076708
 next E    =  -471.644963   (d E  =  -0.00004)


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


    WAVPRE:  VPU time    1.94: CPU time    1.95
    FEWALD:  VPU time    0.02: CPU time    0.01
    GENKIN:  VPU time    1.36: CPU time    1.36
    ORTHCH:  VPU time  183.02: CPU time   91.63
     LOOP+:  VPU time 5443.97: CPU time 2798.56


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


    POTLOK:  VPU time    9.22: CPU time    9.05
    SETDIJ:  VPU time    0.32: CPU time    0.33
    EDDAV :  VPU time 1697.92: CPU time  870.64
 BZINTS: Fermi energy: -3.152302;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  113.21: CPU time   57.13
    MIXING:  VPU time    0.14: CPU time    0.14
    ------------------------------------------
      LOOP:  VPU time 1820.87: CPU time  937.32

 eigenvalue-minimisations  :  5440
 total energy-change (2. order) :-0.4716450E+03  (-0.7827086E-04)
 number of electron  212.0000066 magnetization    0.0000000
 augmentation part     7.9603492 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.91242E-03    rms(broyden)= 0.91211E-03
  rms(prec ) = 0.97982E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34044.77683254
  -1/2 Hartree   DENC   =    -40944.73837378
  -V(xc)+E(xc)   XCENC  =       726.60777056
  PAW double counting   =      4092.85485681    -4131.23905520
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.34685078
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64496625 eV

  energy without entropy =     -471.64496625  energy(sigma->0) =     -471.64496625


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




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


    POTLOK:  VPU time    9.03: CPU time    9.03
    SETDIJ:  VPU time    0.33: CPU time    0.34
    EDDAV :  VPU time 1396.24: CPU time  718.65
 BZINTS: Fermi energy: -3.152653;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1405.68: CPU time  728.05

 eigenvalue-minimisations  :  4064
 total energy-change (2. order) : 0.3849709E-06  (-0.1900596E-05)
 number of electron  212.0000066 magnetization    0.0000000
 augmentation part     7.9603492 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34044.77683254
  -1/2 Hartree   DENC   =    -40944.78288838
  -V(xc)+E(xc)   XCENC  =       726.60946525
  PAW double counting   =      4092.86570116    -4131.24937498
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.30455505
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64496586 eV

  energy without entropy =     -471.64496586  energy(sigma->0) =     -471.64496586


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




 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 -58.5411       2 -39.9857       3 -39.9857       4 -58.2444       5 -58.2487
       6 -58.2562       7 -58.2470       8 -58.2454       9 -58.2454      10 -58.2609
      11 -58.3157      12 -58.2928      13 -58.2503      14 -58.2470      15 -58.2580
      16 -58.4382      17 -58.7325      18 -58.2928      19 -58.2562      20 -58.2507
      21 -58.2778      22 -58.4382      23 -58.3157      24 -58.2487      25 -58.2441
      26 -58.2507      27 -58.2580      28 -58.2609      29 -58.2486      30 -58.2608
      31 -58.2579      32 -58.2506      33 -58.2440      34 -58.2561      35 -58.3156
      36 -58.4381      37 -58.2777      38 -58.2506      39 -58.2469      40 -58.2926
      41 -58.7324      42 -58.4382      43 -58.2579      44 -58.2453      45 -58.2502
      46 -58.2927      47 -58.3156      48 -58.2608      49 -58.2443      50 -58.2453
      51 -58.2469      52 -58.2561      53 -58.2486
 
 
 
 E-fermi :  -3.1527     XC(G=0):  -2.3406     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     -21.4072      1.00000
      4     -21.4061      1.00000
      5     -21.3750      1.00000
      6     -21.3658      1.00000
      7     -21.3586      1.00000
      8     -19.6472      1.00000
      9     -19.5720      1.00000
     10     -19.5649      1.00000
     11     -19.5583      1.00000
     12     -19.5407      1.00000
     13     -19.5378      1.00000
     14     -18.7288      1.00000
     15     -18.6795      1.00000
     16     -18.6721      1.00000
     17     -18.6583      1.00000
     18     -18.6432      1.00000
     19     -18.6421      1.00000
     20     -16.5867      1.00000
     21     -16.5261      1.00000
     22     -16.5238      1.00000
     23     -16.5118      1.00000
     24     -16.4869      1.00000
     25     -16.4852      1.00000
     26     -15.5603      1.00000
     27     -15.5265      1.00000
     28     -15.5257      1.00000
     29     -15.4990      1.00000
     30     -15.4947      1.00000
     31     -15.4886      1.00000
     32     -14.2072      1.00000
     33     -14.1799      1.00000
     34     -14.1678      1.00000
     35     -14.1649      1.00000
     36     -14.1597      1.00000
     37     -14.1492      1.00000
     38     -11.8861      1.00000
     39     -11.8091      1.00000
     40     -11.7921      1.00000
     41     -11.7916      1.00000
     42     -11.7884      1.00000
     43     -11.7822      1.00000
     44     -11.7047      1.00000
     45     -11.6987      1.00000
     46     -11.6727      1.00000
     47     -11.6578      1.00000
     48     -11.6577      1.00000
     49     -11.6509      1.00000
     50     -10.6758      1.00000
     51     -10.3295      1.00000
     52     -10.3209      1.00000
     53     -10.3054      1.00000
     54     -10.3049      1.00000
     55     -10.2911      1.00000
     56     -10.2780      1.00000
     57      -9.9296      1.00000
     58      -9.3731      1.00000
     59      -9.3593      1.00000
     60      -9.3002      1.00000
     61      -9.2919      1.00000
     62      -9.2852      1.00000
     63      -9.0942      1.00000
     64      -9.0540      1.00000
     65      -9.0499      1.00000
     66      -9.0257      1.00000
     67      -9.0079      1.00000
     68      -9.0023      1.00000
     69      -9.0013      1.00000
     70      -8.9945      1.00000
     71      -8.9922      1.00000
     72      -8.9710      1.00000
     73      -8.9642      1.00000
     74      -8.9550      1.00000
     75      -8.5056      1.00000
     76      -7.5122      1.00000
     77      -7.4126      1.00000
     78      -7.4098      1.00000
     79      -7.4008      1.00000
     80      -7.3835      1.00000
     81      -7.3648      1.00000
     82      -7.3402      1.00000
     83      -7.3094      1.00000
     84      -7.2701      1.00000
     85      -7.2058      1.00000
     86      -7.1801      1.00000
     87      -7.1799      1.00000
     88      -7.0724      1.00000
     89      -6.5093      1.00000
     90      -6.4616      1.00000
     91      -6.3551      1.00000
     92      -6.2930      1.00000
     93      -6.2881      1.00000
     94      -6.2863      1.00000
     95      -5.8983      1.00000
     96      -5.8839      1.00000
     97      -5.0507      1.00000
     98      -4.9365      1.00000
     99      -4.5393      1.00000
    100      -4.3414      1.00000
    101      -4.3180      1.00000
    102      -4.3171      1.00000
    103      -4.1159      1.00000
    104      -3.9127      1.00000
    105      -3.9012      1.00000
    106      -3.8356      1.00000
    107      -1.6819      0.00000
    108      -1.6697      0.00000
    109      -1.5355      0.00000
    110      -1.5350      0.00000
    111      -1.5221      0.00000
    112      -1.5088      0.00000
    113      -0.5837      0.00000
    114       0.1328      0.00000
    115       0.2066      0.00000
    116       0.3248      0.00000
    117       0.3267      0.00000
    118       0.3337      0.00000
    119       0.4971      0.00000
    120       0.5958      0.00000
    121       1.2595      0.00000
    122       1.2748      0.00000
    123       1.5274      0.00000
    124       1.7981      0.00000
    125       1.8038      0.00000
    126       1.8069      0.00000
    127       1.8118      0.00000
    128       1.9451      0.00000
    129       1.9795      0.00000
    130       2.0319      0.00000
    131       2.0460      0.00000
    132       2.0512      0.00000
    133       2.0550      0.00000
    134       2.0598      0.00000
    135       2.3068      0.00000
    136       2.3250      0.00000
    137       2.6135      0.00000
    138       2.6205      0.00000
    139       2.6495      0.00000
    140       2.7317      0.00000
    141       2.8625      0.00000
    142       3.0281      0.00000
    143       3.0558      0.00000
    144       3.0928      0.00000
    145       3.1004      0.00000
    146       3.1055      0.00000
    147       3.1091      0.00000
    148       3.2354      0.00000
    149       3.4514      0.00000
    150       3.5409      0.00000
    151       3.7879      0.00000
    152       3.9470      0.00000
    153       3.9550      0.00000
    154       3.9620      0.00000
    155       3.9690      0.00000
    156       3.9986      0.00000
    157       4.1835      0.00000
    158       4.2690      0.00000
    159       4.2878      0.00000
    160       4.2887      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3201      1.00000
      2     -21.7615      1.00000
      3     -21.5708      1.00000
      4     -21.5379      1.00000
      5     -21.2080      1.00000
      6     -21.1630      1.00000
      7     -20.9873      1.00000
      8     -20.1020      1.00000
      9     -20.0577      1.00000
     10     -19.5466      1.00000
     11     -19.5217      1.00000
     12     -19.3493      1.00000
     13     -19.0251      1.00000
     14     -18.9896      1.00000
     15     -18.9812      1.00000
     16     -18.9693      1.00000
     17     -18.2975      1.00000
     18     -18.2782      1.00000
     19     -17.9521      1.00000
     20     -17.0100      1.00000
     21     -16.9598      1.00000
     22     -16.8786      1.00000
     23     -16.8687      1.00000
     24     -16.4051      1.00000
     25     -16.3900      1.00000
     26     -15.5528      1.00000
     27     -15.5357      1.00000
     28     -15.1982      1.00000
     29     -15.1692      1.00000
     30     -15.1146      1.00000
     31     -15.0279      1.00000
     32     -15.0025      1.00000
     33     -14.6365      1.00000
     34     -14.6246      1.00000
     35     -13.6677      1.00000
     36     -13.6522      1.00000
     37     -13.1696      1.00000
     38     -12.5516      1.00000
     39     -12.5173      1.00000
     40     -12.3912      1.00000
     41     -12.3779      1.00000
     42     -12.0579      1.00000
     43     -12.0347      1.00000
     44     -11.6598      1.00000
     45     -11.6175      1.00000
     46     -11.1814      1.00000
     47     -11.1565      1.00000
     48     -10.9656      1.00000
     49     -10.9407      1.00000
     50     -10.8744      1.00000
     51     -10.8374      1.00000
     52     -10.6040      1.00000
     53     -10.0939      1.00000
     54     -10.0884      1.00000
     55     -10.0469      1.00000
     56      -9.9715      1.00000
     57      -9.6550      1.00000
     58      -9.6291      1.00000
     59      -9.5923      1.00000
     60      -9.5297      1.00000
     61      -9.5112      1.00000
     62      -9.4789      1.00000
     63      -9.2652      1.00000
     64      -9.2411      1.00000
     65      -9.2212      1.00000
     66      -9.1666      1.00000
     67      -9.0685      1.00000
     68      -9.0468      1.00000
     69      -9.0410      1.00000
     70      -8.8831      1.00000
     71      -8.8068      1.00000
     72      -8.5798      1.00000
     73      -8.5228      1.00000
     74      -8.4642      1.00000
     75      -8.0350      1.00000
     76      -7.8123      1.00000
     77      -7.8071      1.00000
     78      -7.7934      1.00000
     79      -7.7005      1.00000
     80      -7.6905      1.00000
     81      -7.3608      1.00000
     82      -7.2740      1.00000
     83      -7.2649      1.00000
     84      -7.2147      1.00000
     85      -7.1722      1.00000
     86      -7.0084      1.00000
     87      -6.9478      1.00000
     88      -6.7473      1.00000
     89      -6.6725      1.00000
     90      -6.5937      1.00000
     91      -6.5592      1.00000
     92      -6.0506      1.00000
     93      -6.0476      1.00000
     94      -6.0219      1.00000
     95      -5.9589      1.00000
     96      -5.7364      1.00000
     97      -5.1577      1.00000
     98      -4.9897      1.00000
     99      -4.7188      1.00000
    100      -4.6111      1.00000
    101      -4.4407      1.00000
    102      -4.3741      1.00000
    103      -4.1226      1.00000
    104      -3.8683      1.00000
    105      -3.8354      1.00000
    106      -3.7905      1.00000
    107      -1.7861      0.00000
    108      -1.7386      0.00000
    109      -1.3943      0.00000
    110      -1.3466      0.00000
    111      -1.2637      0.00000
    112      -1.2254      0.00000
    113      -0.7445      0.00000
    114      -0.3782      0.00000
    115      -0.2208      0.00000
    116      -0.0173      0.00000
    117       0.5902      0.00000
    118       0.7364      0.00000
    119       0.7639      0.00000
    120       1.0497      0.00000
    121       1.1417      0.00000
    122       1.2504      0.00000
    123       1.2725      0.00000
    124       1.4151      0.00000
    125       1.4796      0.00000
    126       1.5862      0.00000
    127       1.7585      0.00000
    128       1.8411      0.00000
    129       1.8969      0.00000
    130       1.9591      0.00000
    131       2.1076      0.00000
    132       2.2359      0.00000
    133       2.2498      0.00000
    134       2.2972      0.00000
    135       2.4893      0.00000
    136       2.6170      0.00000
    137       2.6408      0.00000
    138       2.7675      0.00000
    139       2.8051      0.00000
    140       2.8590      0.00000
    141       2.8694      0.00000
    142       2.8932      0.00000
    143       2.9606      0.00000
    144       3.0840      0.00000
    145       3.2835      0.00000
    146       3.3097      0.00000
    147       3.3786      0.00000
    148       3.4104      0.00000
    149       3.4700      0.00000
    150       3.5931      0.00000
    151       3.6408      0.00000
    152       3.6729      0.00000
    153       3.7108      0.00000
    154       3.9098      0.00000
    155       3.9442      0.00000
    156       3.9834      0.00000
    157       4.0870      0.00000
    158       4.2063      0.00000
    159       4.2487      0.00000
    160       4.2997      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2144      1.00000
      2     -22.0081      1.00000
      3     -21.6495      1.00000
      4     -21.6123      1.00000
      5     -20.9133      1.00000
      6     -20.8667      1.00000
      7     -20.5460      1.00000
      8     -20.5064      1.00000
      9     -20.4960      1.00000
     10     -19.9637      1.00000
     11     -19.4429      1.00000
     12     -19.4154      1.00000
     13     -19.2417      1.00000
     14     -19.2274      1.00000
     15     -18.3844      1.00000
     16     -18.3400      1.00000
     17     -17.8603      1.00000
     18     -17.8391      1.00000
     19     -17.6981      1.00000
     20     -17.6554      1.00000
     21     -17.3722      1.00000
     22     -17.3562      1.00000
     23     -17.2746      1.00000
     24     -16.4015      1.00000
     25     -16.3866      1.00000
     26     -15.8964      1.00000
     27     -15.3534      1.00000
     28     -15.3372      1.00000
     29     -15.0354      1.00000
     30     -15.0210      1.00000
     31     -14.7999      1.00000
     32     -14.7751      1.00000
     33     -14.2222      1.00000
     34     -14.1896      1.00000
     35     -13.3714      1.00000
     36     -13.3369      1.00000
     37     -13.1204      1.00000
     38     -13.1026      1.00000
     39     -12.9164      1.00000
     40     -12.9028      1.00000
     41     -12.5572      1.00000
     42     -12.5391      1.00000
     43     -12.1332      1.00000
     44     -11.5228      1.00000
     45     -11.4745      1.00000
     46     -11.2544      1.00000
     47     -11.2202      1.00000
     48     -11.0797      1.00000
     49     -10.6611      1.00000
     50     -10.5889      1.00000
     51     -10.5244      1.00000
     52     -10.2575      1.00000
     53     -10.2495      1.00000
     54     -10.1233      1.00000
     55     -10.0487      1.00000
     56     -10.0416      1.00000
     57      -9.7708      1.00000
     58      -9.7049      1.00000
     59      -9.6804      1.00000
     60      -9.6309      1.00000
     61      -9.6261      1.00000
     62      -9.5879      1.00000
     63      -9.2950      1.00000
     64      -9.2853      1.00000
     65      -9.2539      1.00000
     66      -9.0908      1.00000
     67      -8.8969      1.00000
     68      -8.8842      1.00000
     69      -8.7249      1.00000
     70      -8.5908      1.00000
     71      -8.5146      1.00000
     72      -8.3312      1.00000
     73      -8.3028      1.00000
     74      -8.2649      1.00000
     75      -8.2332      1.00000
     76      -8.1949      1.00000
     77      -8.1866      1.00000
     78      -8.1710      1.00000
     79      -8.1052      1.00000
     80      -7.6889      1.00000
     81      -7.3541      1.00000
     82      -7.3102      1.00000
     83      -7.2635      1.00000
     84      -7.1872      1.00000
     85      -7.1244      1.00000
     86      -7.0769      1.00000
     87      -6.9072      1.00000
     88      -6.8824      1.00000
     89      -6.5501      1.00000
     90      -6.4923      1.00000
     91      -6.2103      1.00000
     92      -6.0703      1.00000
     93      -5.9425      1.00000
     94      -5.7159      1.00000
     95      -5.6330      1.00000
     96      -5.4524      1.00000
     97      -5.3054      1.00000
     98      -5.2341      1.00000
     99      -5.1521      1.00000
    100      -5.1516      1.00000
    101      -4.5241      1.00000
    102      -4.4708      1.00000
    103      -4.1435      1.00000
    104      -3.8386      1.00000
    105      -3.7573      1.00000
    106      -3.6794      1.00000
    107      -1.8716      0.00000
    108      -1.8241      0.00000
    109      -1.2767      0.00000
    110      -1.0369      0.00000
    111      -1.0110      0.00000
    112      -0.7121      0.00000
    113      -0.6403      0.00000
    114      -0.5881      0.00000
    115      -0.5456      0.00000
    116      -0.2006      0.00000
    117       0.2523      0.00000
    118       0.2791      0.00000
    119       0.7605      0.00000
    120       0.9454      0.00000
    121       1.1321      0.00000
    122       1.2264      0.00000
    123       1.3207      0.00000
    124       1.4126      0.00000
    125       1.6013      0.00000
    126       1.6334      0.00000
    127       1.7018      0.00000
    128       1.8246      0.00000
    129       1.9203      0.00000
    130       2.0131      0.00000
    131       2.1135      0.00000
    132       2.3322      0.00000
    133       2.3963      0.00000
    134       2.4334      0.00000
    135       2.5422      0.00000
    136       2.6349      0.00000
    137       2.7603      0.00000
    138       2.8267      0.00000
    139       2.8334      0.00000
    140       2.8902      0.00000
    141       3.0469      0.00000
    142       3.0908      0.00000
    143       3.1876      0.00000
    144       3.2410      0.00000
    145       3.3895      0.00000
    146       3.4234      0.00000
    147       3.4848      0.00000
    148       3.5790      0.00000
    149       3.6035      0.00000
    150       3.6278      0.00000
    151       3.6518      0.00000
    152       3.7433      0.00000
    153       3.7738      0.00000
    154       3.7902      0.00000
    155       3.8125      0.00000
    156       3.8976      0.00000
    157       3.9788      0.00000
    158       4.0112      0.00000
    159       4.1786      0.00000
    160       4.2417      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     -21.8233      1.00000
      4     -21.3120      1.00000
      5     -21.2815      1.00000
      6     -20.7706      1.00000
      7     -20.7047      1.00000
      8     -20.5563      1.00000
      9     -20.0094      1.00000
     10     -20.0012      1.00000
     11     -19.6481      1.00000
     12     -19.6236      1.00000
     13     -18.9300      1.00000
     14     -18.9207      1.00000
     15     -18.5702      1.00000
     16     -18.5573      1.00000
     17     -18.3939      1.00000
     18     -17.6155      1.00000
     19     -17.5586      1.00000
     20     -17.5533      1.00000
     21     -17.5120      1.00000
     22     -17.0554      1.00000
     23     -17.0387      1.00000
     24     -16.8912      1.00000
     25     -15.9294      1.00000
     26     -15.8683      1.00000
     27     -15.5158      1.00000
     28     -15.5158      1.00000
     29     -15.2291      1.00000
     30     -14.7939      1.00000
     31     -14.7675      1.00000
     32     -14.5153      1.00000
     33     -14.4710      1.00000
     34     -14.1026      1.00000
     35     -14.0908      1.00000
     36     -13.0759      1.00000
     37     -13.0325      1.00000
     38     -12.9671      1.00000
     39     -12.9545      1.00000
     40     -12.6456      1.00000
     41     -12.6381      1.00000
     42     -12.2745      1.00000
     43     -12.2428      1.00000
     44     -11.5886      1.00000
     45     -11.5611      1.00000
     46     -11.5072      1.00000
     47     -10.9059      1.00000
     48     -10.8511      1.00000
     49     -10.6235      1.00000
     50     -10.5582      1.00000
     51     -10.4847      1.00000
     52     -10.4339      1.00000
     53     -10.4239      1.00000
     54     -10.3704      1.00000
     55     -10.2932      1.00000
     56     -10.0661      1.00000
     57      -9.8332      1.00000
     58      -9.5475      1.00000
     59      -9.4879      1.00000
     60      -9.4731      1.00000
     61      -9.3464      1.00000
     62      -9.3309      1.00000
     63      -9.3100      1.00000
     64      -9.3079      1.00000
     65      -9.2144      1.00000
     66      -9.1131      1.00000
     67      -9.0810      1.00000
     68      -9.0507      1.00000
     69      -8.8501      1.00000
     70      -8.7929      1.00000
     71      -8.7749      1.00000
     72      -8.5271      1.00000
     73      -8.4766      1.00000
     74      -8.2248      1.00000
     75      -8.1117      1.00000
     76      -8.0993      1.00000
     77      -7.8078      1.00000
     78      -7.7825      1.00000
     79      -7.7815      1.00000
     80      -7.6745      1.00000
     81      -7.6310      1.00000
     82      -7.6309      1.00000
     83      -7.3994      1.00000
     84      -7.3247      1.00000
     85      -7.1966      1.00000
     86      -6.8405      1.00000
     87      -6.8288      1.00000
     88      -6.6624      1.00000
     89      -6.5388      1.00000
     90      -6.3438      1.00000
     91      -6.3072      1.00000
     92      -6.1845      1.00000
     93      -6.1486      1.00000
     94      -5.9775      1.00000
     95      -5.5723      1.00000
     96      -5.4261      1.00000
     97      -5.2586      1.00000
     98      -5.2519      1.00000
     99      -5.1490      1.00000
    100      -4.6956      1.00000
    101      -4.6653      1.00000
    102      -4.3493      1.00000
    103      -4.3166      1.00000
    104      -3.9648      1.00000
    105      -3.8320      1.00000
    106      -3.3889      1.00000
    107      -2.2210      0.00000
    108      -1.3779      0.00000
    109      -1.2867      0.00000
    110      -1.1727      0.00000
    111      -1.0774      0.00000
    112      -0.8929      0.00000
    113      -0.7674      0.00000
    114      -0.7573      0.00000
    115      -0.2160      0.00000
    116       0.1123      0.00000
    117       0.2637      0.00000
    118       0.3462      0.00000
    119       0.7342      0.00000
    120       0.9039      0.00000
    121       0.9717      0.00000
    122       1.0946      0.00000
    123       1.2087      0.00000
    124       1.5297      0.00000
    125       1.5643      0.00000
    126       1.7157      0.00000
    127       1.8389      0.00000
    128       1.8625      0.00000
    129       1.9725      0.00000
    130       1.9993      0.00000
    131       2.1625      0.00000
    132       2.2692      0.00000
    133       2.4567      0.00000
    134       2.4729      0.00000
    135       2.5093      0.00000
    136       2.6661      0.00000
    137       2.6862      0.00000
    138       2.7328      0.00000
    139       2.7475      0.00000
    140       2.8948      0.00000
    141       3.0232      0.00000
    142       3.0864      0.00000
    143       3.1980      0.00000
    144       3.2574      0.00000
    145       3.2628      0.00000
    146       3.2717      0.00000
    147       3.3656      0.00000
    148       3.4855      0.00000
    149       3.5297      0.00000
    150       3.6981      0.00000
    151       3.7575      0.00000
    152       3.7705      0.00000
    153       3.8388      0.00000
    154       3.8825      0.00000
    155       3.9448      0.00000
    156       3.9867      0.00000
    157       4.0257      0.00000
    158       4.0548      0.00000
    159       4.0599      0.00000
    160       4.1231      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     -21.8868      1.00000
      4     -21.3349      1.00000
      5     -20.9820      1.00000
      6     -20.9434      1.00000
      7     -20.4337      1.00000
      8     -20.3909      1.00000
      9     -20.2268      1.00000
     10     -20.2053      1.00000
     11     -19.8894      1.00000
     12     -19.8216      1.00000
     13     -18.8152      1.00000
     14     -18.7439      1.00000
     15     -18.2906      1.00000
     16     -18.2363      1.00000
     17     -18.0858      1.00000
     18     -18.0660      1.00000
     19     -17.7621      1.00000
     20     -17.7190      1.00000
     21     -17.1891      1.00000
     22     -17.1700      1.00000
     23     -17.0999      1.00000
     24     -17.0639      1.00000
     25     -16.0378      1.00000
     26     -15.8238      1.00000
     27     -15.7999      1.00000
     28     -15.7644      1.00000
     29     -15.1741      1.00000
     30     -14.4918      1.00000
     31     -14.4586      1.00000
     32     -14.2181      1.00000
     33     -13.8951      1.00000
     34     -13.8904      1.00000
     35     -13.7561      1.00000
     36     -13.7358      1.00000
     37     -13.5523      1.00000
     38     -13.5030      1.00000
     39     -13.3002      1.00000
     40     -12.5644      1.00000
     41     -12.1262      1.00000
     42     -12.0660      1.00000
     43     -12.0108      1.00000
     44     -11.9517      1.00000
     45     -11.6111      1.00000
     46     -11.5880      1.00000
     47     -11.0859      1.00000
     48     -11.0521      1.00000
     49     -10.7544      1.00000
     50     -10.6642      1.00000
     51     -10.5281      1.00000
     52     -10.1484      1.00000
     53     -10.1390      1.00000
     54     -10.0961      1.00000
     55      -9.9531      1.00000
     56      -9.9479      1.00000
     57      -9.9174      1.00000
     58      -9.7383      1.00000
     59      -9.7309      1.00000
     60      -9.7016      1.00000
     61      -9.6902      1.00000
     62      -9.4307      1.00000
     63      -9.3638      1.00000
     64      -9.0879      1.00000
     65      -9.0064      1.00000
     66      -8.9751      1.00000
     67      -8.8885      1.00000
     68      -8.8113      1.00000
     69      -8.6588      1.00000
     70      -8.6349      1.00000
     71      -8.5806      1.00000
     72      -8.4788      1.00000
     73      -8.4684      1.00000
     74      -8.3986      1.00000
     75      -8.3945      1.00000
     76      -8.1839      1.00000
     77      -8.1156      1.00000
     78      -7.9771      1.00000
     79      -7.9168      1.00000
     80      -7.8467      1.00000
     81      -7.6187      1.00000
     82      -7.5305      1.00000
     83      -7.4694      1.00000
     84      -7.2518      1.00000
     85      -6.9340      1.00000
     86      -6.8579      1.00000
     87      -6.8108      1.00000
     88      -6.5753      1.00000
     89      -6.4679      1.00000
     90      -6.4205      1.00000
     91      -6.3566      1.00000
     92      -6.0530      1.00000
     93      -5.8779      1.00000
     94      -5.7530      1.00000
     95      -5.7218      1.00000
     96      -5.4774      1.00000
     97      -5.3462      1.00000
     98      -5.1802      1.00000
     99      -5.1562      1.00000
    100      -5.1546      1.00000
    101      -4.7081      1.00000
    102      -4.4412      1.00000
    103      -4.2566      1.00000
    104      -3.9964      1.00000
    105      -3.8309      1.00000
    106      -3.1558      1.00000
    107      -2.4633      0.00000
    108      -1.3787      0.00000
    109      -1.2421      0.00000
    110      -1.1455      0.00000
    111      -1.1146      0.00000
    112      -0.5628      0.00000
    113      -0.4346      0.00000
    114      -0.4293      0.00000
    115      -0.3108      0.00000
    116      -0.1891      0.00000
    117       0.0619      0.00000
    118       0.1178      0.00000
    119       0.5399      0.00000
    120       0.6842      0.00000
    121       0.8714      0.00000
    122       0.9681      0.00000
    123       1.1113      0.00000
    124       1.4956      0.00000
    125       1.6624      0.00000
    126       1.8047      0.00000
    127       1.8766      0.00000
    128       2.0937      0.00000
    129       2.1475      0.00000
    130       2.1977      0.00000
    131       2.2152      0.00000
    132       2.3402      0.00000
    133       2.3655      0.00000
    134       2.4881      0.00000
    135       2.5812      0.00000
    136       2.6693      0.00000
    137       2.8796      0.00000
    138       2.9381      0.00000
    139       2.9668      0.00000
    140       3.0006      0.00000
    141       3.0445      0.00000
    142       3.1513      0.00000
    143       3.1853      0.00000
    144       3.2503      0.00000
    145       3.2912      0.00000
    146       3.3332      0.00000
    147       3.3496      0.00000
    148       3.3801      0.00000
    149       3.4154      0.00000
    150       3.4973      0.00000
    151       3.5539      0.00000
    152       3.6356      0.00000
    153       3.6990      0.00000
    154       3.7107      0.00000
    155       3.7287      0.00000
    156       3.9211      0.00000
    157       3.9403      0.00000
    158       4.0592      0.00000
    159       4.0902      0.00000
    160       4.2038      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2480      1.00000
      2     -21.8954      1.00000
      3     -21.8217      1.00000
      4     -21.3165      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     -19.9905      1.00000
     11     -19.6505      1.00000
     12     -19.6194      1.00000
     13     -18.9437      1.00000
     14     -18.9087      1.00000
     15     -18.5843      1.00000
     16     -18.5465      1.00000
     17     -18.3923      1.00000
     18     -17.6022      1.00000
     19     -17.5707      1.00000
     20     -17.5414      1.00000
     21     -17.5085      1.00000
     22     -17.0749      1.00000
     23     -17.0273      1.00000
     24     -16.9002      1.00000
     25     -15.9458      1.00000
     26     -15.8510      1.00000
     27     -15.5337      1.00000
     28     -15.5067      1.00000
     29     -15.2090      1.00000
     30     -14.8145      1.00000
     31     -14.7613      1.00000
     32     -14.5099      1.00000
     33     -14.4678      1.00000
     34     -14.0961      1.00000
     35     -14.0930      1.00000
     36     -13.1057      1.00000
     37     -13.0300      1.00000
     38     -12.9568      1.00000
     39     -12.9494      1.00000
     40     -12.6562      1.00000
     41     -12.6275      1.00000
     42     -12.2744      1.00000
     43     -12.2471      1.00000
     44     -11.5732      1.00000
     45     -11.5534      1.00000
     46     -11.5005      1.00000
     47     -10.8789      1.00000
     48     -10.8687      1.00000
     49     -10.6846      1.00000
     50     -10.5256      1.00000
     51     -10.5203      1.00000
     52     -10.4332      1.00000
     53     -10.4163      1.00000
     54     -10.3704      1.00000
     55     -10.2884      1.00000
     56     -10.0615      1.00000
     57      -9.8319      1.00000
     58      -9.5602      1.00000
     59      -9.4847      1.00000
     60      -9.4460      1.00000
     61      -9.3551      1.00000
     62      -9.3396      1.00000
     63      -9.3080      1.00000
     64      -9.3029      1.00000
     65      -9.2061      1.00000
     66      -9.0992      1.00000
     67      -9.0680      1.00000
     68      -9.0489      1.00000
     69      -8.8534      1.00000
     70      -8.7964      1.00000
     71      -8.7787      1.00000
     72      -8.5270      1.00000
     73      -8.4981      1.00000
     74      -8.2298      1.00000
     75      -8.1290      1.00000
     76      -8.0935      1.00000
     77      -7.8072      1.00000
     78      -7.7676      1.00000
     79      -7.7394      1.00000
     80      -7.7045      1.00000
     81      -7.6365      1.00000
     82      -7.6240      1.00000
     83      -7.3871      1.00000
     84      -7.3438      1.00000
     85      -7.2165      1.00000
     86      -6.8436      1.00000
     87      -6.8203      1.00000
     88      -6.6406      1.00000
     89      -6.5292      1.00000
     90      -6.3420      1.00000
     91      -6.2730      1.00000
     92      -6.1956      1.00000
     93      -6.1314      1.00000
     94      -6.0215      1.00000
     95      -5.6381      1.00000
     96      -5.5085      1.00000
     97      -5.2977      1.00000
     98      -5.1560      1.00000
     99      -5.0402      1.00000
    100      -4.7269      1.00000
    101      -4.6855      1.00000
    102      -4.3683      1.00000
    103      -4.1862      1.00000
    104      -4.0095      1.00000
    105      -3.8304      1.00000
    106      -3.4843      1.00000
    107      -2.1640      0.00000
    108      -1.3831      0.00000
    109      -1.2364      0.00000
    110      -1.1840      0.00000
    111      -1.0138      0.00000
    112      -0.9564      0.00000
    113      -0.7976      0.00000
    114      -0.7520      0.00000
    115      -0.3638      0.00000
    116       0.2449      0.00000
    117       0.2768      0.00000
    118       0.3652      0.00000
    119       0.7004      0.00000
    120       0.8687      0.00000
    121       0.9659      0.00000
    122       1.1268      0.00000
    123       1.2361      0.00000
    124       1.4557      0.00000
    125       1.5566      0.00000
    126       1.7828      0.00000
    127       1.8512      0.00000
    128       1.8848      0.00000
    129       1.9874      0.00000
    130       2.0326      0.00000
    131       2.2000      0.00000
    132       2.2119      0.00000
    133       2.4035      0.00000
    134       2.4613      0.00000
    135       2.5544      0.00000
    136       2.6583      0.00000
    137       2.6851      0.00000
    138       2.7293      0.00000
    139       2.7718      0.00000
    140       2.8561      0.00000
    141       2.9669      0.00000
    142       3.0851      0.00000
    143       3.1931      0.00000
    144       3.2441      0.00000
    145       3.2594      0.00000
    146       3.2989      0.00000
    147       3.3395      0.00000
    148       3.4841      0.00000
    149       3.5107      0.00000
    150       3.7143      0.00000
    151       3.7247      0.00000
    152       3.7702      0.00000
    153       3.8623      0.00000
    154       3.8754      0.00000
    155       3.9023      0.00000
    156       3.9992      0.00000
    157       4.0042      0.00000
    158       4.0588      0.00000
    159       4.0672      0.00000
    160       4.0910      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3200      1.00000
      2     -21.7619      1.00000
      3     -21.5680      1.00000
      4     -21.5407      1.00000
      5     -21.2054      1.00000
      6     -21.1662      1.00000
      7     -20.9859      1.00000
      8     -20.0991      1.00000
      9     -20.0600      1.00000
     10     -19.5469      1.00000
     11     -19.5260      1.00000
     12     -19.3451      1.00000
     13     -19.0288      1.00000
     14     -18.9885      1.00000
     15     -18.9776      1.00000
     16     -18.9715      1.00000
     17     -18.2964      1.00000
     18     -18.2823      1.00000
     19     -17.9465      1.00000
     20     -17.0009      1.00000
     21     -16.9597      1.00000
     22     -16.8830      1.00000
     23     -16.8697      1.00000
     24     -16.4161      1.00000
     25     -16.3937      1.00000
     26     -15.5408      1.00000
     27     -15.5375      1.00000
     28     -15.1724      1.00000
     29     -15.1715      1.00000
     30     -15.1320      1.00000
     31     -15.0373      1.00000
     32     -15.0010      1.00000
     33     -14.6333      1.00000
     34     -14.6266      1.00000
     35     -13.6627      1.00000
     36     -13.6531      1.00000
     37     -13.1717      1.00000
     38     -12.5746      1.00000
     39     -12.5132      1.00000
     40     -12.3860      1.00000
     41     -12.3858      1.00000
     42     -12.0349      1.00000
     43     -12.0312      1.00000
     44     -11.6546      1.00000
     45     -11.6144      1.00000
     46     -11.2080      1.00000
     47     -11.1568      1.00000
     48     -10.9560      1.00000
     49     -10.9426      1.00000
     50     -10.8602      1.00000
     51     -10.8280      1.00000
     52     -10.6267      1.00000
     53     -10.1481      1.00000
     54     -10.0852      1.00000
     55     -10.0260      1.00000
     56      -9.9468      1.00000
     57      -9.6317      1.00000
     58      -9.6293      1.00000
     59      -9.6033      1.00000
     60      -9.5406      1.00000
     61      -9.5036      1.00000
     62      -9.4784      1.00000
     63      -9.2738      1.00000
     64      -9.2359      1.00000
     65      -9.2077      1.00000
     66      -9.1791      1.00000
     67      -9.0624      1.00000
     68      -9.0473      1.00000
     69      -9.0439      1.00000
     70      -8.8772      1.00000
     71      -8.8083      1.00000
     72      -8.5388      1.00000
     73      -8.5320      1.00000
     74      -8.5041      1.00000
     75      -8.0321      1.00000
     76      -7.8316      1.00000
     77      -7.8018      1.00000
     78      -7.7738      1.00000
     79      -7.7044      1.00000
     80      -7.6844      1.00000
     81      -7.4102      1.00000
     82      -7.2894      1.00000
     83      -7.2516      1.00000
     84      -7.2037      1.00000
     85      -7.0823      1.00000
     86      -7.0732      1.00000
     87      -6.9372      1.00000
     88      -6.7123      1.00000
     89      -6.6745      1.00000
     90      -6.6290      1.00000
     91      -6.5568      1.00000
     92      -6.0725      1.00000
     93      -6.0323      1.00000
     94      -6.0011      1.00000
     95      -5.9365      1.00000
     96      -5.8009      1.00000
     97      -5.1825      1.00000
     98      -4.8953      1.00000
     99      -4.7940      1.00000
    100      -4.6109      1.00000
    101      -4.5124      1.00000
    102      -4.1409      1.00000
    103      -4.0922      1.00000
    104      -3.9311      1.00000
    105      -3.9166      1.00000
    106      -3.8295      1.00000
    107      -1.7513      0.00000
    108      -1.6957      0.00000
    109      -1.4097      0.00000
    110      -1.3724      0.00000
    111      -1.2642      0.00000
    112      -1.2357      0.00000
    113      -0.6224      0.00000
    114      -0.5991      0.00000
    115      -0.1898      0.00000
    116       0.0436      0.00000
    117       0.5839      0.00000
    118       0.7408      0.00000
    119       0.8503      0.00000
    120       0.9280      0.00000
    121       1.1678      0.00000
    122       1.2111      0.00000
    123       1.2467      0.00000
    124       1.4203      0.00000
    125       1.5992      0.00000
    126       1.6393      0.00000
    127       1.7046      0.00000
    128       1.8078      0.00000
    129       1.9236      0.00000
    130       1.9401      0.00000
    131       2.1499      0.00000
    132       2.1731      0.00000
    133       2.2619      0.00000
    134       2.3027      0.00000
    135       2.5430      0.00000
    136       2.5601      0.00000
    137       2.6419      0.00000
    138       2.7612      0.00000
    139       2.8161      0.00000
    140       2.8498      0.00000
    141       2.8940      0.00000
    142       2.9456      0.00000
    143       3.0162      0.00000
    144       3.0291      0.00000
    145       3.0895      0.00000
    146       3.3153      0.00000
    147       3.3734      0.00000
    148       3.4215      0.00000
    149       3.4822      0.00000
    150       3.6116      0.00000
    151       3.6591      0.00000
    152       3.6707      0.00000
    153       3.6813      0.00000
    154       3.8950      0.00000
    155       3.9825      0.00000
    156       4.0288      0.00000
    157       4.0745      0.00000
    158       4.2411      0.00000
    159       4.2592      0.00000
    160       4.2691      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1413      1.00000
      2     -22.0485      1.00000
      3     -21.8863      1.00000
      4     -21.3357      1.00000
      5     -20.9771      1.00000
      6     -20.9475      1.00000
      7     -20.4284      1.00000
      8     -20.3963      1.00000
      9     -20.2167      1.00000
     10     -20.2141      1.00000
     11     -19.8881      1.00000
     12     -19.8242      1.00000
     13     -18.8180      1.00000
     14     -18.7471      1.00000
     15     -18.2656      1.00000
     16     -18.2526      1.00000
     17     -18.0808      1.00000
     18     -18.0735      1.00000
     19     -17.7457      1.00000
     20     -17.7310      1.00000
     21     -17.1957      1.00000
     22     -17.1715      1.00000
     23     -17.0888      1.00000
     24     -17.0681      1.00000
     25     -16.0551      1.00000
     26     -15.8085      1.00000
     27     -15.7989      1.00000
     28     -15.7779      1.00000
     29     -15.1590      1.00000
     30     -14.4858      1.00000
     31     -14.4643      1.00000
     32     -14.2040      1.00000
     33     -13.9180      1.00000
     34     -13.8870      1.00000
     35     -13.7599      1.00000
     36     -13.7389      1.00000
     37     -13.5357      1.00000
     38     -13.5109      1.00000
     39     -13.3018      1.00000
     40     -12.5776      1.00000
     41     -12.1006      1.00000
     42     -12.0777      1.00000
     43     -11.9981      1.00000
     44     -11.9510      1.00000
     45     -11.6069      1.00000
     46     -11.5987      1.00000
     47     -11.0856      1.00000
     48     -11.0607      1.00000
     49     -10.7319      1.00000
     50     -10.6645      1.00000
     51     -10.5614      1.00000
     52     -10.1403      1.00000
     53     -10.1360      1.00000
     54     -10.1010      1.00000
     55      -9.9669      1.00000
     56      -9.9255      1.00000
     57      -9.9218      1.00000
     58      -9.7524      1.00000
     59      -9.7296      1.00000
     60      -9.6978      1.00000
     61      -9.6947      1.00000
     62      -9.4025      1.00000
     63      -9.3889      1.00000
     64      -9.0707      1.00000
     65      -8.9831      1.00000
     66      -8.9817      1.00000
     67      -8.9056      1.00000
     68      -8.8119      1.00000
     69      -8.6509      1.00000
     70      -8.6340      1.00000
     71      -8.5510      1.00000
     72      -8.5016      1.00000
     73      -8.4824      1.00000
     74      -8.3940      1.00000
     75      -8.3831      1.00000
     76      -8.2101      1.00000
     77      -8.1032      1.00000
     78      -8.0070      1.00000
     79      -7.9029      1.00000
     80      -7.8451      1.00000
     81      -7.6218      1.00000
     82      -7.5335      1.00000
     83      -7.4559      1.00000
     84      -7.2490      1.00000
     85      -6.9447      1.00000
     86      -6.8694      1.00000
     87      -6.8107      1.00000
     88      -6.4781      1.00000
     89      -6.4676      1.00000
     90      -6.4094      1.00000
     91      -6.3599      1.00000
     92      -6.1922      1.00000
     93      -5.8583      1.00000
     94      -5.7378      1.00000
     95      -5.7111      1.00000
     96      -5.5239      1.00000
     97      -5.3296      1.00000
     98      -5.1720      1.00000
     99      -5.1677      1.00000
    100      -5.1341      1.00000
    101      -4.6958      1.00000
    102      -4.3487      1.00000
    103      -4.2821      1.00000
    104      -4.0297      1.00000
    105      -3.8318      1.00000
    106      -3.2336      1.00000
    107      -2.4045      0.00000
    108      -1.3450      0.00000
    109      -1.2448      0.00000
    110      -1.1523      0.00000
    111      -1.1083      0.00000
    112      -0.5818      0.00000
    113      -0.5225      0.00000
    114      -0.4337      0.00000
    115      -0.2745      0.00000
    116      -0.0699      0.00000
    117      -0.0108      0.00000
    118       0.0600      0.00000
    119       0.5835      0.00000
    120       0.7109      0.00000
    121       0.8101      0.00000
    122       0.9442      0.00000
    123       1.1834      0.00000
    124       1.5098      0.00000
    125       1.6206      0.00000
    126       1.8608      0.00000
    127       2.0053      0.00000
    128       2.0512      0.00000
    129       2.1141      0.00000
    130       2.1576      0.00000
    131       2.2685      0.00000
    132       2.2864      0.00000
    133       2.3502      0.00000
    134       2.4629      0.00000
    135       2.6109      0.00000
    136       2.7013      0.00000
    137       2.8199      0.00000
    138       2.9149      0.00000
    139       2.9425      0.00000
    140       3.0210      0.00000
    141       3.0526      0.00000
    142       3.1573      0.00000
    143       3.1673      0.00000
    144       3.2303      0.00000
    145       3.2996      0.00000
    146       3.3117      0.00000
    147       3.3533      0.00000
    148       3.3735      0.00000
    149       3.4173      0.00000
    150       3.4495      0.00000
    151       3.5651      0.00000
    152       3.6144      0.00000
    153       3.7075      0.00000
    154       3.7289      0.00000
    155       3.8480      0.00000
    156       3.9085      0.00000
    157       3.9320      0.00000
    158       3.9630      0.00000
    159       4.1483      0.00000
    160       4.1826      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2140      1.00000
      2     -22.0088      1.00000
      3     -21.6468      1.00000
      4     -21.6153      1.00000
      5     -20.9104      1.00000
      6     -20.8695      1.00000
      7     -20.5397      1.00000
      8     -20.5071      1.00000
      9     -20.5001      1.00000
     10     -19.9628      1.00000
     11     -19.4418      1.00000
     12     -19.4189      1.00000
     13     -19.2405      1.00000
     14     -19.2330      1.00000
     15     -18.3767      1.00000
     16     -18.3413      1.00000
     17     -17.8596      1.00000
     18     -17.8428      1.00000
     19     -17.6919      1.00000
     20     -17.6557      1.00000
     21     -17.3729      1.00000
     22     -17.3582      1.00000
     23     -17.2675      1.00000
     24     -16.4138      1.00000
     25     -16.3905      1.00000
     26     -15.9056      1.00000
     27     -15.3436      1.00000
     28     -15.3389      1.00000
     29     -15.0312      1.00000
     30     -15.0216      1.00000
     31     -14.7760      1.00000
     32     -14.7745      1.00000
     33     -14.2391      1.00000
     34     -14.1872      1.00000
     35     -13.3892      1.00000
     36     -13.3335      1.00000
     37     -13.1111      1.00000
     38     -13.1033      1.00000
     39     -12.9188      1.00000
     40     -12.9128      1.00000
     41     -12.5453      1.00000
     42     -12.5379      1.00000
     43     -12.1344      1.00000
     44     -11.5135      1.00000
     45     -11.4692      1.00000
     46     -11.2446      1.00000
     47     -11.2131      1.00000
     48     -11.0877      1.00000
     49     -10.7090      1.00000
     50     -10.5953      1.00000
     51     -10.5099      1.00000
     52     -10.2521      1.00000
     53     -10.2482      1.00000
     54     -10.1219      1.00000
     55     -10.0538      1.00000
     56     -10.0396      1.00000
     57      -9.7862      1.00000
     58      -9.6878      1.00000
     59      -9.6742      1.00000
     60      -9.6383      1.00000
     61      -9.6284      1.00000
     62      -9.5858      1.00000
     63      -9.2963      1.00000
     64      -9.2843      1.00000
     65      -9.2527      1.00000
     66      -9.0681      1.00000
     67      -8.8948      1.00000
     68      -8.8846      1.00000
     69      -8.7187      1.00000
     70      -8.5836      1.00000
     71      -8.5259      1.00000
     72      -8.3513      1.00000
     73      -8.3047      1.00000
     74      -8.2428      1.00000
     75      -8.2385      1.00000
     76      -8.1940      1.00000
     77      -8.1820      1.00000
     78      -8.1695      1.00000
     79      -8.1116      1.00000
     80      -7.6906      1.00000
     81      -7.4148      1.00000
     82      -7.3460      1.00000
     83      -7.2582      1.00000
     84      -7.1698      1.00000
     85      -7.1113      1.00000
     86      -7.0033      1.00000
     87      -6.9042      1.00000
     88      -6.8467      1.00000
     89      -6.5411      1.00000
     90      -6.4998      1.00000
     91      -6.2145      1.00000
     92      -6.2010      1.00000
     93      -5.8945      1.00000
     94      -5.6739      1.00000
     95      -5.6090      1.00000
     96      -5.5804      1.00000
     97      -5.2531      1.00000
     98      -5.2315      1.00000
     99      -5.1649      1.00000
    100      -5.1347      1.00000
    101      -4.5996      1.00000
    102      -4.2519      1.00000
    103      -4.0462      1.00000
    104      -3.8850      1.00000
    105      -3.8435      1.00000
    106      -3.8016      1.00000
    107      -1.8070      0.00000
    108      -1.7802      0.00000
    109      -1.2248      0.00000
    110      -1.1766      0.00000
    111      -0.9736      0.00000
    112      -0.7338      0.00000
    113      -0.6509      0.00000
    114      -0.5938      0.00000
    115      -0.5495      0.00000
    116      -0.1502      0.00000
    117       0.1755      0.00000
    118       0.2882      0.00000
    119       0.7055      0.00000
    120       0.9493      0.00000
    121       1.1689      0.00000
    122       1.2782      0.00000
    123       1.3468      0.00000
    124       1.5119      0.00000
    125       1.6079      0.00000
    126       1.6282      0.00000
    127       1.6921      0.00000
    128       1.7745      0.00000
    129       1.8633      0.00000
    130       2.0816      0.00000
    131       2.1686      0.00000
    132       2.3218      0.00000
    133       2.3942      0.00000
    134       2.4251      0.00000
    135       2.5565      0.00000
    136       2.6244      0.00000
    137       2.6886      0.00000
    138       2.7503      0.00000
    139       2.8212      0.00000
    140       2.9106      0.00000
    141       3.0564      0.00000
    142       3.0613      0.00000
    143       3.1850      0.00000
    144       3.2823      0.00000
    145       3.3797      0.00000
    146       3.4156      0.00000
    147       3.4611      0.00000
    148       3.5493      0.00000
    149       3.5784      0.00000
    150       3.6349      0.00000
    151       3.6645      0.00000
    152       3.7016      0.00000
    153       3.7915      0.00000
    154       3.8041      0.00000
    155       3.8254      0.00000
    156       3.8946      0.00000
    157       3.9109      0.00000
    158       3.9809      0.00000
    159       4.1913      0.00000
    160       4.2344      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     -21.4072      1.00000
      4     -21.4061      1.00000
      5     -21.3750      1.00000
      6     -21.3658      1.00000
      7     -21.3586      1.00000
      8     -19.6472      1.00000
      9     -19.5720      1.00000
     10     -19.5649      1.00000
     11     -19.5583      1.00000
     12     -19.5407      1.00000
     13     -19.5378      1.00000
     14     -18.7288      1.00000
     15     -18.6795      1.00000
     16     -18.6721      1.00000
     17     -18.6583      1.00000
     18     -18.6432      1.00000
     19     -18.6421      1.00000
     20     -16.5867      1.00000
     21     -16.5261      1.00000
     22     -16.5238      1.00000
     23     -16.5118      1.00000
     24     -16.4869      1.00000
     25     -16.4852      1.00000
     26     -15.5603      1.00000
     27     -15.5265      1.00000
     28     -15.5257      1.00000
     29     -15.4990      1.00000
     30     -15.4947      1.00000
     31     -15.4886      1.00000
     32     -14.2072      1.00000
     33     -14.1799      1.00000
     34     -14.1678      1.00000
     35     -14.1649      1.00000
     36     -14.1597      1.00000
     37     -14.1492      1.00000
     38     -11.8861      1.00000
     39     -11.8091      1.00000
     40     -11.7921      1.00000
     41     -11.7916      1.00000
     42     -11.7884      1.00000
     43     -11.7822      1.00000
     44     -11.7047      1.00000
     45     -11.6987      1.00000
     46     -11.6727      1.00000
     47     -11.6578      1.00000
     48     -11.6577      1.00000
     49     -11.6509      1.00000
     50     -10.6758      1.00000
     51     -10.3295      1.00000
     52     -10.3209      1.00000
     53     -10.3054      1.00000
     54     -10.3049      1.00000
     55     -10.2911      1.00000
     56     -10.2780      1.00000
     57      -9.9296      1.00000
     58      -9.3731      1.00000
     59      -9.3593      1.00000
     60      -9.3002      1.00000
     61      -9.2919      1.00000
     62      -9.2852      1.00000
     63      -9.0942      1.00000
     64      -9.0540      1.00000
     65      -9.0499      1.00000
     66      -9.0257      1.00000
     67      -9.0079      1.00000
     68      -9.0023      1.00000
     69      -9.0013      1.00000
     70      -8.9945      1.00000
     71      -8.9922      1.00000
     72      -8.9710      1.00000
     73      -8.9642      1.00000
     74      -8.9550      1.00000
     75      -8.5056      1.00000
     76      -7.5122      1.00000
     77      -7.4126      1.00000
     78      -7.4098      1.00000
     79      -7.4008      1.00000
     80      -7.3835      1.00000
     81      -7.3648      1.00000
     82      -7.3402      1.00000
     83      -7.3094      1.00000
     84      -7.2701      1.00000
     85      -7.2058      1.00000
     86      -7.1801      1.00000
     87      -7.1799      1.00000
     88      -7.0724      1.00000
     89      -6.5093      1.00000
     90      -6.4616      1.00000
     91      -6.3551      1.00000
     92      -6.2930      1.00000
     93      -6.2881      1.00000
     94      -6.2863      1.00000
     95      -5.8983      1.00000
     96      -5.8839      1.00000
     97      -5.0507      1.00000
     98      -4.9365      1.00000
     99      -4.5393      1.00000
    100      -4.3414      1.00000
    101      -4.3180      1.00000
    102      -4.3171      1.00000
    103      -4.1159      1.00000
    104      -3.9127      1.00000
    105      -3.9012      1.00000
    106      -3.8356      1.00000
    107      -1.6819      0.00000
    108      -1.6697      0.00000
    109      -1.5355      0.00000
    110      -1.5350      0.00000
    111      -1.5221      0.00000
    112      -1.5088      0.00000
    113      -0.5837      0.00000
    114       0.1328      0.00000
    115       0.2066      0.00000
    116       0.3248      0.00000
    117       0.3267      0.00000
    118       0.3337      0.00000
    119       0.4971      0.00000
    120       0.5958      0.00000
    121       1.2595      0.00000
    122       1.2748      0.00000
    123       1.5274      0.00000
    124       1.7981      0.00000
    125       1.8038      0.00000
    126       1.8069      0.00000
    127       1.8118      0.00000
    128       1.9451      0.00000
    129       1.9795      0.00000
    130       2.0319      0.00000
    131       2.0460      0.00000
    132       2.0512      0.00000
    133       2.0550      0.00000
    134       2.0598      0.00000
    135       2.3068      0.00000
    136       2.3250      0.00000
    137       2.6135      0.00000
    138       2.6205      0.00000
    139       2.6495      0.00000
    140       2.7317      0.00000
    141       2.8625      0.00000
    142       3.0281      0.00000
    143       3.0558      0.00000
    144       3.0928      0.00000
    145       3.1004      0.00000
    146       3.1056      0.00000
    147       3.1091      0.00000
    148       3.2354      0.00000
    149       3.4514      0.00000
    150       3.5409      0.00000
    151       3.7879      0.00000
    152       3.9470      0.00000
    153       3.9550      0.00000
    154       3.9620      0.00000
    155       3.9690      0.00000
    156       3.9986      0.00000
    157       4.1835      0.00000
    158       4.2690      0.00000
    159       4.2878      0.00000
    160       4.2887      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3201      1.00000
      2     -21.7615      1.00000
      3     -21.5708      1.00000
      4     -21.5379      1.00000
      5     -21.2080      1.00000
      6     -21.1630      1.00000
      7     -20.9873      1.00000
      8     -20.1020      1.00000
      9     -20.0577      1.00000
     10     -19.5466      1.00000
     11     -19.5217      1.00000
     12     -19.3493      1.00000
     13     -19.0251      1.00000
     14     -18.9896      1.00000
     15     -18.9812      1.00000
     16     -18.9693      1.00000
     17     -18.2975      1.00000
     18     -18.2782      1.00000
     19     -17.9521      1.00000
     20     -17.0100      1.00000
     21     -16.9598      1.00000
     22     -16.8786      1.00000
     23     -16.8687      1.00000
     24     -16.4051      1.00000
     25     -16.3900      1.00000
     26     -15.5528      1.00000
     27     -15.5357      1.00000
     28     -15.1982      1.00000
     29     -15.1692      1.00000
     30     -15.1146      1.00000
     31     -15.0279      1.00000
     32     -15.0025      1.00000
     33     -14.6365      1.00000
     34     -14.6246      1.00000
     35     -13.6677      1.00000
     36     -13.6522      1.00000
     37     -13.1696      1.00000
     38     -12.5516      1.00000
     39     -12.5173      1.00000
     40     -12.3912      1.00000
     41     -12.3779      1.00000
     42     -12.0579      1.00000
     43     -12.0347      1.00000
     44     -11.6598      1.00000
     45     -11.6175      1.00000
     46     -11.1814      1.00000
     47     -11.1565      1.00000
     48     -10.9656      1.00000
     49     -10.9407      1.00000
     50     -10.8744      1.00000
     51     -10.8374      1.00000
     52     -10.6040      1.00000
     53     -10.0939      1.00000
     54     -10.0884      1.00000
     55     -10.0469      1.00000
     56      -9.9715      1.00000
     57      -9.6550      1.00000
     58      -9.6291      1.00000
     59      -9.5923      1.00000
     60      -9.5297      1.00000
     61      -9.5112      1.00000
     62      -9.4789      1.00000
     63      -9.2652      1.00000
     64      -9.2411      1.00000
     65      -9.2212      1.00000
     66      -9.1666      1.00000
     67      -9.0685      1.00000
     68      -9.0468      1.00000
     69      -9.0410      1.00000
     70      -8.8831      1.00000
     71      -8.8068      1.00000
     72      -8.5798      1.00000
     73      -8.5228      1.00000
     74      -8.4642      1.00000
     75      -8.0350      1.00000
     76      -7.8123      1.00000
     77      -7.8071      1.00000
     78      -7.7934      1.00000
     79      -7.7005      1.00000
     80      -7.6905      1.00000
     81      -7.3608      1.00000
     82      -7.2740      1.00000
     83      -7.2649      1.00000
     84      -7.2147      1.00000
     85      -7.1722      1.00000
     86      -7.0084      1.00000
     87      -6.9478      1.00000
     88      -6.7473      1.00000
     89      -6.6725      1.00000
     90      -6.5937      1.00000
     91      -6.5592      1.00000
     92      -6.0506      1.00000
     93      -6.0476      1.00000
     94      -6.0219      1.00000
     95      -5.9589      1.00000
     96      -5.7364      1.00000
     97      -5.1577      1.00000
     98      -4.9897      1.00000
     99      -4.7188      1.00000
    100      -4.6111      1.00000
    101      -4.4407      1.00000
    102      -4.3741      1.00000
    103      -4.1226      1.00000
    104      -3.8683      1.00000
    105      -3.8354      1.00000
    106      -3.7905      1.00000
    107      -1.7861      0.00000
    108      -1.7386      0.00000
    109      -1.3943      0.00000
    110      -1.3466      0.00000
    111      -1.2637      0.00000
    112      -1.2254      0.00000
    113      -0.7445      0.00000
    114      -0.3782      0.00000
    115      -0.2208      0.00000
    116      -0.0173      0.00000
    117       0.5902      0.00000
    118       0.7364      0.00000
    119       0.7639      0.00000
    120       1.0497      0.00000
    121       1.1417      0.00000
    122       1.2504      0.00000
    123       1.2725      0.00000
    124       1.4151      0.00000
    125       1.4796      0.00000
    126       1.5862      0.00000
    127       1.7585      0.00000
    128       1.8411      0.00000
    129       1.8969      0.00000
    130       1.9591      0.00000
    131       2.1076      0.00000
    132       2.2359      0.00000
    133       2.2498      0.00000
    134       2.2972      0.00000
    135       2.4893      0.00000
    136       2.6170      0.00000
    137       2.6408      0.00000
    138       2.7675      0.00000
    139       2.8051      0.00000
    140       2.8590      0.00000
    141       2.8694      0.00000
    142       2.8932      0.00000
    143       2.9606      0.00000
    144       3.0840      0.00000
    145       3.2835      0.00000
    146       3.3097      0.00000
    147       3.3786      0.00000
    148       3.4104      0.00000
    149       3.4700      0.00000
    150       3.5931      0.00000
    151       3.6408      0.00000
    152       3.6729      0.00000
    153       3.7108      0.00000
    154       3.9098      0.00000
    155       3.9442      0.00000
    156       3.9834      0.00000
    157       4.0870      0.00000
    158       4.2063      0.00000
    159       4.2487      0.00000
    160       4.2997      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2144      1.00000
      2     -22.0081      1.00000
      3     -21.6495      1.00000
      4     -21.6123      1.00000
      5     -20.9133      1.00000
      6     -20.8667      1.00000
      7     -20.5460      1.00000
      8     -20.5064      1.00000
      9     -20.4960      1.00000
     10     -19.9637      1.00000
     11     -19.4429      1.00000
     12     -19.4154      1.00000
     13     -19.2417      1.00000
     14     -19.2274      1.00000
     15     -18.3844      1.00000
     16     -18.3400      1.00000
     17     -17.8603      1.00000
     18     -17.8391      1.00000
     19     -17.6981      1.00000
     20     -17.6554      1.00000
     21     -17.3722      1.00000
     22     -17.3562      1.00000
     23     -17.2746      1.00000
     24     -16.4015      1.00000
     25     -16.3866      1.00000
     26     -15.8964      1.00000
     27     -15.3534      1.00000
     28     -15.3372      1.00000
     29     -15.0354      1.00000
     30     -15.0210      1.00000
     31     -14.7999      1.00000
     32     -14.7751      1.00000
     33     -14.2222      1.00000
     34     -14.1896      1.00000
     35     -13.3714      1.00000
     36     -13.3369      1.00000
     37     -13.1204      1.00000
     38     -13.1026      1.00000
     39     -12.9164      1.00000
     40     -12.9028      1.00000
     41     -12.5572      1.00000
     42     -12.5391      1.00000
     43     -12.1332      1.00000
     44     -11.5228      1.00000
     45     -11.4745      1.00000
     46     -11.2544      1.00000
     47     -11.2202      1.00000
     48     -11.0797      1.00000
     49     -10.6611      1.00000
     50     -10.5889      1.00000
     51     -10.5244      1.00000
     52     -10.2575      1.00000
     53     -10.2495      1.00000
     54     -10.1233      1.00000
     55     -10.0487      1.00000
     56     -10.0416      1.00000
     57      -9.7708      1.00000
     58      -9.7049      1.00000
     59      -9.6804      1.00000
     60      -9.6309      1.00000
     61      -9.6261      1.00000
     62      -9.5879      1.00000
     63      -9.2950      1.00000
     64      -9.2853      1.00000
     65      -9.2539      1.00000
     66      -9.0908      1.00000
     67      -8.8969      1.00000
     68      -8.8842      1.00000
     69      -8.7249      1.00000
     70      -8.5908      1.00000
     71      -8.5146      1.00000
     72      -8.3312      1.00000
     73      -8.3028      1.00000
     74      -8.2649      1.00000
     75      -8.2332      1.00000
     76      -8.1949      1.00000
     77      -8.1866      1.00000
     78      -8.1710      1.00000
     79      -8.1052      1.00000
     80      -7.6889      1.00000
     81      -7.3541      1.00000
     82      -7.3102      1.00000
     83      -7.2635      1.00000
     84      -7.1872      1.00000
     85      -7.1244      1.00000
     86      -7.0769      1.00000
     87      -6.9072      1.00000
     88      -6.8824      1.00000
     89      -6.5501      1.00000
     90      -6.4923      1.00000
     91      -6.2103      1.00000
     92      -6.0703      1.00000
     93      -5.9425      1.00000
     94      -5.7159      1.00000
     95      -5.6330      1.00000
     96      -5.4524      1.00000
     97      -5.3054      1.00000
     98      -5.2341      1.00000
     99      -5.1521      1.00000
    100      -5.1516      1.00000
    101      -4.5241      1.00000
    102      -4.4708      1.00000
    103      -4.1435      1.00000
    104      -3.8386      1.00000
    105      -3.7573      1.00000
    106      -3.6794      1.00000
    107      -1.8716      0.00000
    108      -1.8241      0.00000
    109      -1.2767      0.00000
    110      -1.0369      0.00000
    111      -1.0110      0.00000
    112      -0.7121      0.00000
    113      -0.6403      0.00000
    114      -0.5881      0.00000
    115      -0.5456      0.00000
    116      -0.2006      0.00000
    117       0.2523      0.00000
    118       0.2791      0.00000
    119       0.7605      0.00000
    120       0.9454      0.00000
    121       1.1321      0.00000
    122       1.2264      0.00000
    123       1.3207      0.00000
    124       1.4126      0.00000
    125       1.6013      0.00000
    126       1.6334      0.00000
    127       1.7018      0.00000
    128       1.8246      0.00000
    129       1.9203      0.00000
    130       2.0131      0.00000
    131       2.1136      0.00000
    132       2.3322      0.00000
    133       2.3963      0.00000
    134       2.4334      0.00000
    135       2.5422      0.00000
    136       2.6349      0.00000
    137       2.7603      0.00000
    138       2.8267      0.00000
    139       2.8334      0.00000
    140       2.8903      0.00000
    141       3.0469      0.00000
    142       3.0908      0.00000
    143       3.1876      0.00000
    144       3.2410      0.00000
    145       3.3895      0.00000
    146       3.4234      0.00000
    147       3.4848      0.00000
    148       3.5790      0.00000
    149       3.6035      0.00000
    150       3.6278      0.00000
    151       3.6518      0.00000
    152       3.7433      0.00000
    153       3.7738      0.00000
    154       3.7902      0.00000
    155       3.8125      0.00000
    156       3.8977      0.00000
    157       3.9788      0.00000
    158       4.0112      0.00000
    159       4.1786      0.00000
    160       4.2417      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     -21.8233      1.00000
      4     -21.3120      1.00000
      5     -21.2815      1.00000
      6     -20.7706      1.00000
      7     -20.7047      1.00000
      8     -20.5563      1.00000
      9     -20.0094      1.00000
     10     -20.0012      1.00000
     11     -19.6481      1.00000
     12     -19.6236      1.00000
     13     -18.9300      1.00000
     14     -18.9207      1.00000
     15     -18.5702      1.00000
     16     -18.5573      1.00000
     17     -18.3939      1.00000
     18     -17.6155      1.00000
     19     -17.5586      1.00000
     20     -17.5533      1.00000
     21     -17.5120      1.00000
     22     -17.0554      1.00000
     23     -17.0387      1.00000
     24     -16.8912      1.00000
     25     -15.9294      1.00000
     26     -15.8683      1.00000
     27     -15.5158      1.00000
     28     -15.5158      1.00000
     29     -15.2291      1.00000
     30     -14.7939      1.00000
     31     -14.7675      1.00000
     32     -14.5153      1.00000
     33     -14.4710      1.00000
     34     -14.1026      1.00000
     35     -14.0908      1.00000
     36     -13.0759      1.00000
     37     -13.0325      1.00000
     38     -12.9671      1.00000
     39     -12.9545      1.00000
     40     -12.6456      1.00000
     41     -12.6381      1.00000
     42     -12.2745      1.00000
     43     -12.2428      1.00000
     44     -11.5886      1.00000
     45     -11.5611      1.00000
     46     -11.5072      1.00000
     47     -10.9059      1.00000
     48     -10.8511      1.00000
     49     -10.6235      1.00000
     50     -10.5582      1.00000
     51     -10.4847      1.00000
     52     -10.4339      1.00000
     53     -10.4239      1.00000
     54     -10.3704      1.00000
     55     -10.2932      1.00000
     56     -10.0661      1.00000
     57      -9.8332      1.00000
     58      -9.5475      1.00000
     59      -9.4879      1.00000
     60      -9.4731      1.00000
     61      -9.3464      1.00000
     62      -9.3309      1.00000
     63      -9.3100      1.00000
     64      -9.3079      1.00000
     65      -9.2144      1.00000
     66      -9.1131      1.00000
     67      -9.0810      1.00000
     68      -9.0507      1.00000
     69      -8.8501      1.00000
     70      -8.7929      1.00000
     71      -8.7749      1.00000
     72      -8.5271      1.00000
     73      -8.4766      1.00000
     74      -8.2248      1.00000
     75      -8.1117      1.00000
     76      -8.0993      1.00000
     77      -7.8078      1.00000
     78      -7.7825      1.00000
     79      -7.7815      1.00000
     80      -7.6745      1.00000
     81      -7.6310      1.00000
     82      -7.6309      1.00000
     83      -7.3994      1.00000
     84      -7.3247      1.00000
     85      -7.1966      1.00000
     86      -6.8405      1.00000
     87      -6.8288      1.00000
     88      -6.6624      1.00000
     89      -6.5388      1.00000
     90      -6.3438      1.00000
     91      -6.3072      1.00000
     92      -6.1845      1.00000
     93      -6.1486      1.00000
     94      -5.9775      1.00000
     95      -5.5723      1.00000
     96      -5.4261      1.00000
     97      -5.2586      1.00000
     98      -5.2519      1.00000
     99      -5.1490      1.00000
    100      -4.6956      1.00000
    101      -4.6653      1.00000
    102      -4.3493      1.00000
    103      -4.3166      1.00000
    104      -3.9648      1.00000
    105      -3.8320      1.00000
    106      -3.3889      1.00000
    107      -2.2210      0.00000
    108      -1.3779      0.00000
    109      -1.2867      0.00000
    110      -1.1727      0.00000
    111      -1.0774      0.00000
    112      -0.8929      0.00000
    113      -0.7674      0.00000
    114      -0.7573      0.00000
    115      -0.2160      0.00000
    116       0.1123      0.00000
    117       0.2637      0.00000
    118       0.3462      0.00000
    119       0.7342      0.00000
    120       0.9039      0.00000
    121       0.9717      0.00000
    122       1.0946      0.00000
    123       1.2087      0.00000
    124       1.5297      0.00000
    125       1.5643      0.00000
    126       1.7157      0.00000
    127       1.8389      0.00000
    128       1.8625      0.00000
    129       1.9725      0.00000
    130       1.9993      0.00000
    131       2.1625      0.00000
    132       2.2692      0.00000
    133       2.4567      0.00000
    134       2.4729      0.00000
    135       2.5093      0.00000
    136       2.6661      0.00000
    137       2.6862      0.00000
    138       2.7328      0.00000
    139       2.7475      0.00000
    140       2.8948      0.00000
    141       3.0232      0.00000
    142       3.0864      0.00000
    143       3.1980      0.00000
    144       3.2574      0.00000
    145       3.2628      0.00000
    146       3.2717      0.00000
    147       3.3656      0.00000
    148       3.4855      0.00000
    149       3.5297      0.00000
    150       3.6981      0.00000
    151       3.7575      0.00000
    152       3.7705      0.00000
    153       3.8388      0.00000
    154       3.8826      0.00000
    155       3.9448      0.00000
    156       3.9867      0.00000
    157       4.0257      0.00000
    158       4.0548      0.00000
    159       4.0599      0.00000
    160       4.1229      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     -21.8868      1.00000
      4     -21.3349      1.00000
      5     -20.9820      1.00000
      6     -20.9434      1.00000
      7     -20.4337      1.00000
      8     -20.3909      1.00000
      9     -20.2268      1.00000
     10     -20.2053      1.00000
     11     -19.8894      1.00000
     12     -19.8216      1.00000
     13     -18.8152      1.00000
     14     -18.7439      1.00000
     15     -18.2906      1.00000
     16     -18.2363      1.00000
     17     -18.0858      1.00000
     18     -18.0660      1.00000
     19     -17.7621      1.00000
     20     -17.7190      1.00000
     21     -17.1891      1.00000
     22     -17.1700      1.00000
     23     -17.0999      1.00000
     24     -17.0639      1.00000
     25     -16.0378      1.00000
     26     -15.8238      1.00000
     27     -15.7999      1.00000
     28     -15.7644      1.00000
     29     -15.1741      1.00000
     30     -14.4918      1.00000
     31     -14.4586      1.00000
     32     -14.2181      1.00000
     33     -13.8951      1.00000
     34     -13.8904      1.00000
     35     -13.7561      1.00000
     36     -13.7358      1.00000
     37     -13.5523      1.00000
     38     -13.5030      1.00000
     39     -13.3002      1.00000
     40     -12.5644      1.00000
     41     -12.1262      1.00000
     42     -12.0660      1.00000
     43     -12.0108      1.00000
     44     -11.9517      1.00000
     45     -11.6111      1.00000
     46     -11.5880      1.00000
     47     -11.0859      1.00000
     48     -11.0521      1.00000
     49     -10.7544      1.00000
     50     -10.6642      1.00000
     51     -10.5281      1.00000
     52     -10.1484      1.00000
     53     -10.1390      1.00000
     54     -10.0961      1.00000
     55      -9.9531      1.00000
     56      -9.9479      1.00000
     57      -9.9174      1.00000
     58      -9.7383      1.00000
     59      -9.7309      1.00000
     60      -9.7016      1.00000
     61      -9.6902      1.00000
     62      -9.4307      1.00000
     63      -9.3638      1.00000
     64      -9.0879      1.00000
     65      -9.0064      1.00000
     66      -8.9751      1.00000
     67      -8.8885      1.00000
     68      -8.8113      1.00000
     69      -8.6588      1.00000
     70      -8.6349      1.00000
     71      -8.5806      1.00000
     72      -8.4788      1.00000
     73      -8.4684      1.00000
     74      -8.3986      1.00000
     75      -8.3945      1.00000
     76      -8.1839      1.00000
     77      -8.1156      1.00000
     78      -7.9771      1.00000
     79      -7.9168      1.00000
     80      -7.8467      1.00000
     81      -7.6187      1.00000
     82      -7.5305      1.00000
     83      -7.4694      1.00000
     84      -7.2518      1.00000
     85      -6.9340      1.00000
     86      -6.8579      1.00000
     87      -6.8108      1.00000
     88      -6.5753      1.00000
     89      -6.4679      1.00000
     90      -6.4205      1.00000
     91      -6.3566      1.00000
     92      -6.0530      1.00000
     93      -5.8779      1.00000
     94      -5.7530      1.00000
     95      -5.7218      1.00000
     96      -5.4774      1.00000
     97      -5.3462      1.00000
     98      -5.1802      1.00000
     99      -5.1562      1.00000
    100      -5.1546      1.00000
    101      -4.7081      1.00000
    102      -4.4412      1.00000
    103      -4.2566      1.00000
    104      -3.9964      1.00000
    105      -3.8309      1.00000
    106      -3.1558      1.00000
    107      -2.4633      0.00000
    108      -1.3787      0.00000
    109      -1.2421      0.00000
    110      -1.1455      0.00000
    111      -1.1146      0.00000
    112      -0.5628      0.00000
    113      -0.4346      0.00000
    114      -0.4293      0.00000
    115      -0.3108      0.00000
    116      -0.1891      0.00000
    117       0.0619      0.00000
    118       0.1178      0.00000
    119       0.5399      0.00000
    120       0.6842      0.00000
    121       0.8714      0.00000
    122       0.9681      0.00000
    123       1.1113      0.00000
    124       1.4956      0.00000
    125       1.6624      0.00000
    126       1.8047      0.00000
    127       1.8766      0.00000
    128       2.0937      0.00000
    129       2.1475      0.00000
    130       2.1977      0.00000
    131       2.2152      0.00000
    132       2.3402      0.00000
    133       2.3655      0.00000
    134       2.4881      0.00000
    135       2.5812      0.00000
    136       2.6693      0.00000
    137       2.8796      0.00000
    138       2.9381      0.00000
    139       2.9668      0.00000
    140       3.0006      0.00000
    141       3.0445      0.00000
    142       3.1513      0.00000
    143       3.1853      0.00000
    144       3.2504      0.00000
    145       3.2912      0.00000
    146       3.3332      0.00000
    147       3.3496      0.00000
    148       3.3801      0.00000
    149       3.4154      0.00000
    150       3.4973      0.00000
    151       3.5539      0.00000
    152       3.6356      0.00000
    153       3.6990      0.00000
    154       3.7108      0.00000
    155       3.7287      0.00000
    156       3.9211      0.00000
    157       3.9403      0.00000
    158       4.0592      0.00000
    159       4.0902      0.00000
    160       4.2038      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2480      1.00000
      2     -21.8954      1.00000
      3     -21.8217      1.00000
      4     -21.3165      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     -19.9905      1.00000
     11     -19.6505      1.00000
     12     -19.6194      1.00000
     13     -18.9437      1.00000
     14     -18.9087      1.00000
     15     -18.5843      1.00000
     16     -18.5465      1.00000
     17     -18.3923      1.00000
     18     -17.6022      1.00000
     19     -17.5707      1.00000
     20     -17.5414      1.00000
     21     -17.5085      1.00000
     22     -17.0749      1.00000
     23     -17.0273      1.00000
     24     -16.9002      1.00000
     25     -15.9458      1.00000
     26     -15.8510      1.00000
     27     -15.5337      1.00000
     28     -15.5067      1.00000
     29     -15.2090      1.00000
     30     -14.8145      1.00000
     31     -14.7613      1.00000
     32     -14.5099      1.00000
     33     -14.4678      1.00000
     34     -14.0961      1.00000
     35     -14.0930      1.00000
     36     -13.1057      1.00000
     37     -13.0300      1.00000
     38     -12.9568      1.00000
     39     -12.9494      1.00000
     40     -12.6562      1.00000
     41     -12.6275      1.00000
     42     -12.2744      1.00000
     43     -12.2471      1.00000
     44     -11.5732      1.00000
     45     -11.5534      1.00000
     46     -11.5005      1.00000
     47     -10.8789      1.00000
     48     -10.8687      1.00000
     49     -10.6846      1.00000
     50     -10.5256      1.00000
     51     -10.5203      1.00000
     52     -10.4332      1.00000
     53     -10.4163      1.00000
     54     -10.3704      1.00000
     55     -10.2884      1.00000
     56     -10.0615      1.00000
     57      -9.8319      1.00000
     58      -9.5602      1.00000
     59      -9.4847      1.00000
     60      -9.4460      1.00000
     61      -9.3551      1.00000
     62      -9.3396      1.00000
     63      -9.3080      1.00000
     64      -9.3029      1.00000
     65      -9.2061      1.00000
     66      -9.0992      1.00000
     67      -9.0680      1.00000
     68      -9.0489      1.00000
     69      -8.8534      1.00000
     70      -8.7964      1.00000
     71      -8.7787      1.00000
     72      -8.5270      1.00000
     73      -8.4981      1.00000
     74      -8.2298      1.00000
     75      -8.1290      1.00000
     76      -8.0935      1.00000
     77      -7.8072      1.00000
     78      -7.7676      1.00000
     79      -7.7394      1.00000
     80      -7.7045      1.00000
     81      -7.6365      1.00000
     82      -7.6240      1.00000
     83      -7.3871      1.00000
     84      -7.3438      1.00000
     85      -7.2165      1.00000
     86      -6.8436      1.00000
     87      -6.8203      1.00000
     88      -6.6406      1.00000
     89      -6.5292      1.00000
     90      -6.3420      1.00000
     91      -6.2730      1.00000
     92      -6.1956      1.00000
     93      -6.1314      1.00000
     94      -6.0215      1.00000
     95      -5.6381      1.00000
     96      -5.5085      1.00000
     97      -5.2977      1.00000
     98      -5.1560      1.00000
     99      -5.0402      1.00000
    100      -4.7269      1.00000
    101      -4.6855      1.00000
    102      -4.3683      1.00000
    103      -4.1862      1.00000
    104      -4.0095      1.00000
    105      -3.8304      1.00000
    106      -3.4843      1.00000
    107      -2.1640      0.00000
    108      -1.3831      0.00000
    109      -1.2364      0.00000
    110      -1.1840      0.00000
    111      -1.0138      0.00000
    112      -0.9564      0.00000
    113      -0.7976      0.00000
    114      -0.7520      0.00000
    115      -0.3638      0.00000
    116       0.2449      0.00000
    117       0.2768      0.00000
    118       0.3652      0.00000
    119       0.7004      0.00000
    120       0.8687      0.00000
    121       0.9659      0.00000
    122       1.1268      0.00000
    123       1.2361      0.00000
    124       1.4557      0.00000
    125       1.5566      0.00000
    126       1.7828      0.00000
    127       1.8512      0.00000
    128       1.8848      0.00000
    129       1.9874      0.00000
    130       2.0326      0.00000
    131       2.2001      0.00000
    132       2.2119      0.00000
    133       2.4035      0.00000
    134       2.4613      0.00000
    135       2.5544      0.00000
    136       2.6583      0.00000
    137       2.6851      0.00000
    138       2.7293      0.00000
    139       2.7718      0.00000
    140       2.8561      0.00000
    141       2.9669      0.00000
    142       3.0851      0.00000
    143       3.1931      0.00000
    144       3.2441      0.00000
    145       3.2594      0.00000
    146       3.2989      0.00000
    147       3.3395      0.00000
    148       3.4841      0.00000
    149       3.5107      0.00000
    150       3.7143      0.00000
    151       3.7247      0.00000
    152       3.7702      0.00000
    153       3.8623      0.00000
    154       3.8754      0.00000
    155       3.9023      0.00000
    156       3.9992      0.00000
    157       4.0042      0.00000
    158       4.0588      0.00000
    159       4.0673      0.00000
    160       4.0910      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3200      1.00000
      2     -21.7619      1.00000
      3     -21.5680      1.00000
      4     -21.5407      1.00000
      5     -21.2054      1.00000
      6     -21.1662      1.00000
      7     -20.9859      1.00000
      8     -20.0991      1.00000
      9     -20.0600      1.00000
     10     -19.5469      1.00000
     11     -19.5260      1.00000
     12     -19.3451      1.00000
     13     -19.0288      1.00000
     14     -18.9885      1.00000
     15     -18.9776      1.00000
     16     -18.9715      1.00000
     17     -18.2964      1.00000
     18     -18.2823      1.00000
     19     -17.9465      1.00000
     20     -17.0009      1.00000
     21     -16.9597      1.00000
     22     -16.8830      1.00000
     23     -16.8697      1.00000
     24     -16.4161      1.00000
     25     -16.3937      1.00000
     26     -15.5408      1.00000
     27     -15.5375      1.00000
     28     -15.1724      1.00000
     29     -15.1715      1.00000
     30     -15.1320      1.00000
     31     -15.0373      1.00000
     32     -15.0010      1.00000
     33     -14.6333      1.00000
     34     -14.6266      1.00000
     35     -13.6627      1.00000
     36     -13.6531      1.00000
     37     -13.1717      1.00000
     38     -12.5746      1.00000
     39     -12.5132      1.00000
     40     -12.3860      1.00000
     41     -12.3858      1.00000
     42     -12.0349      1.00000
     43     -12.0312      1.00000
     44     -11.6546      1.00000
     45     -11.6144      1.00000
     46     -11.2080      1.00000
     47     -11.1568      1.00000
     48     -10.9560      1.00000
     49     -10.9426      1.00000
     50     -10.8602      1.00000
     51     -10.8280      1.00000
     52     -10.6267      1.00000
     53     -10.1481      1.00000
     54     -10.0852      1.00000
     55     -10.0260      1.00000
     56      -9.9468      1.00000
     57      -9.6317      1.00000
     58      -9.6293      1.00000
     59      -9.6033      1.00000
     60      -9.5406      1.00000
     61      -9.5036      1.00000
     62      -9.4784      1.00000
     63      -9.2738      1.00000
     64      -9.2359      1.00000
     65      -9.2077      1.00000
     66      -9.1791      1.00000
     67      -9.0624      1.00000
     68      -9.0473      1.00000
     69      -9.0439      1.00000
     70      -8.8772      1.00000
     71      -8.8083      1.00000
     72      -8.5388      1.00000
     73      -8.5320      1.00000
     74      -8.5041      1.00000
     75      -8.0321      1.00000
     76      -7.8316      1.00000
     77      -7.8018      1.00000
     78      -7.7738      1.00000
     79      -7.7044      1.00000
     80      -7.6844      1.00000
     81      -7.4102      1.00000
     82      -7.2894      1.00000
     83      -7.2516      1.00000
     84      -7.2037      1.00000
     85      -7.0823      1.00000
     86      -7.0732      1.00000
     87      -6.9372      1.00000
     88      -6.7123      1.00000
     89      -6.6745      1.00000
     90      -6.6290      1.00000
     91      -6.5568      1.00000
     92      -6.0725      1.00000
     93      -6.0323      1.00000
     94      -6.0011      1.00000
     95      -5.9365      1.00000
     96      -5.8009      1.00000
     97      -5.1825      1.00000
     98      -4.8953      1.00000
     99      -4.7940      1.00000
    100      -4.6109      1.00000
    101      -4.5124      1.00000
    102      -4.1409      1.00000
    103      -4.0922      1.00000
    104      -3.9311      1.00000
    105      -3.9166      1.00000
    106      -3.8295      1.00000
    107      -1.7513      0.00000
    108      -1.6957      0.00000
    109      -1.4097      0.00000
    110      -1.3724      0.00000
    111      -1.2642      0.00000
    112      -1.2357      0.00000
    113      -0.6224      0.00000
    114      -0.5991      0.00000
    115      -0.1898      0.00000
    116       0.0436      0.00000
    117       0.5839      0.00000
    118       0.7408      0.00000
    119       0.8503      0.00000
    120       0.9280      0.00000
    121       1.1678      0.00000
    122       1.2111      0.00000
    123       1.2467      0.00000
    124       1.4203      0.00000
    125       1.5992      0.00000
    126       1.6393      0.00000
    127       1.7046      0.00000
    128       1.8078      0.00000
    129       1.9236      0.00000
    130       1.9401      0.00000
    131       2.1499      0.00000
    132       2.1731      0.00000
    133       2.2619      0.00000
    134       2.3027      0.00000
    135       2.5430      0.00000
    136       2.5601      0.00000
    137       2.6419      0.00000
    138       2.7612      0.00000
    139       2.8161      0.00000
    140       2.8498      0.00000
    141       2.8940      0.00000
    142       2.9456      0.00000
    143       3.0162      0.00000
    144       3.0291      0.00000
    145       3.0895      0.00000
    146       3.3153      0.00000
    147       3.3734      0.00000
    148       3.4215      0.00000
    149       3.4822      0.00000
    150       3.6116      0.00000
    151       3.6591      0.00000
    152       3.6707      0.00000
    153       3.6813      0.00000
    154       3.8950      0.00000
    155       3.9825      0.00000
    156       4.0288      0.00000
    157       4.0745      0.00000
    158       4.2411      0.00000
    159       4.2592      0.00000
    160       4.2691      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1413      1.00000
      2     -22.0485      1.00000
      3     -21.8863      1.00000
      4     -21.3357      1.00000
      5     -20.9771      1.00000
      6     -20.9475      1.00000
      7     -20.4284      1.00000
      8     -20.3963      1.00000
      9     -20.2167      1.00000
     10     -20.2141      1.00000
     11     -19.8881      1.00000
     12     -19.8242      1.00000
     13     -18.8180      1.00000
     14     -18.7471      1.00000
     15     -18.2656      1.00000
     16     -18.2526      1.00000
     17     -18.0808      1.00000
     18     -18.0735      1.00000
     19     -17.7457      1.00000
     20     -17.7310      1.00000
     21     -17.1957      1.00000
     22     -17.1715      1.00000
     23     -17.0888      1.00000
     24     -17.0681      1.00000
     25     -16.0551      1.00000
     26     -15.8085      1.00000
     27     -15.7989      1.00000
     28     -15.7779      1.00000
     29     -15.1590      1.00000
     30     -14.4858      1.00000
     31     -14.4643      1.00000
     32     -14.2040      1.00000
     33     -13.9180      1.00000
     34     -13.8870      1.00000
     35     -13.7599      1.00000
     36     -13.7389      1.00000
     37     -13.5357      1.00000
     38     -13.5109      1.00000
     39     -13.3018      1.00000
     40     -12.5776      1.00000
     41     -12.1006      1.00000
     42     -12.0777      1.00000
     43     -11.9981      1.00000
     44     -11.9510      1.00000
     45     -11.6069      1.00000
     46     -11.5987      1.00000
     47     -11.0856      1.00000
     48     -11.0607      1.00000
     49     -10.7319      1.00000
     50     -10.6645      1.00000
     51     -10.5614      1.00000
     52     -10.1403      1.00000
     53     -10.1360      1.00000
     54     -10.1010      1.00000
     55      -9.9669      1.00000
     56      -9.9255      1.00000
     57      -9.9218      1.00000
     58      -9.7524      1.00000
     59      -9.7296      1.00000
     60      -9.6978      1.00000
     61      -9.6947      1.00000
     62      -9.4025      1.00000
     63      -9.3889      1.00000
     64      -9.0707      1.00000
     65      -8.9831      1.00000
     66      -8.9817      1.00000
     67      -8.9056      1.00000
     68      -8.8119      1.00000
     69      -8.6509      1.00000
     70      -8.6340      1.00000
     71      -8.5510      1.00000
     72      -8.5016      1.00000
     73      -8.4824      1.00000
     74      -8.3940      1.00000
     75      -8.3831      1.00000
     76      -8.2101      1.00000
     77      -8.1032      1.00000
     78      -8.0070      1.00000
     79      -7.9029      1.00000
     80      -7.8451      1.00000
     81      -7.6218      1.00000
     82      -7.5335      1.00000
     83      -7.4559      1.00000
     84      -7.2490      1.00000
     85      -6.9447      1.00000
     86      -6.8694      1.00000
     87      -6.8107      1.00000
     88      -6.4781      1.00000
     89      -6.4676      1.00000
     90      -6.4094      1.00000
     91      -6.3599      1.00000
     92      -6.1922      1.00000
     93      -5.8583      1.00000
     94      -5.7378      1.00000
     95      -5.7111      1.00000
     96      -5.5239      1.00000
     97      -5.3296      1.00000
     98      -5.1720      1.00000
     99      -5.1677      1.00000
    100      -5.1341      1.00000
    101      -4.6958      1.00000
    102      -4.3487      1.00000
    103      -4.2821      1.00000
    104      -4.0297      1.00000
    105      -3.8318      1.00000
    106      -3.2336      1.00000
    107      -2.4045      0.00000
    108      -1.3450      0.00000
    109      -1.2448      0.00000
    110      -1.1523      0.00000
    111      -1.1083      0.00000
    112      -0.5818      0.00000
    113      -0.5225      0.00000
    114      -0.4337      0.00000
    115      -0.2745      0.00000
    116      -0.0699      0.00000
    117      -0.0108      0.00000
    118       0.0600      0.00000
    119       0.5835      0.00000
    120       0.7109      0.00000
    121       0.8101      0.00000
    122       0.9442      0.00000
    123       1.1834      0.00000
    124       1.5098      0.00000
    125       1.6206      0.00000
    126       1.8608      0.00000
    127       2.0053      0.00000
    128       2.0512      0.00000
    129       2.1141      0.00000
    130       2.1576      0.00000
    131       2.2685      0.00000
    132       2.2864      0.00000
    133       2.3502      0.00000
    134       2.4629      0.00000
    135       2.6109      0.00000
    136       2.7013      0.00000
    137       2.8199      0.00000
    138       2.9149      0.00000
    139       2.9425      0.00000
    140       3.0210      0.00000
    141       3.0526      0.00000
    142       3.1573      0.00000
    143       3.1673      0.00000
    144       3.2303      0.00000
    145       3.2996      0.00000
    146       3.3117      0.00000
    147       3.3533      0.00000
    148       3.3735      0.00000
    149       3.4173      0.00000
    150       3.4495      0.00000
    151       3.5651      0.00000
    152       3.6144      0.00000
    153       3.7075      0.00000
    154       3.7289      0.00000
    155       3.8480      0.00000
    156       3.9085      0.00000
    157       3.9320      0.00000
    158       3.9630      0.00000
    159       4.1483      0.00000
    160       4.1826      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2140      1.00000
      2     -22.0088      1.00000
      3     -21.6468      1.00000
      4     -21.6153      1.00000
      5     -20.9104      1.00000
      6     -20.8695      1.00000
      7     -20.5397      1.00000
      8     -20.5071      1.00000
      9     -20.5001      1.00000
     10     -19.9628      1.00000
     11     -19.4418      1.00000
     12     -19.4189      1.00000
     13     -19.2405      1.00000
     14     -19.2330      1.00000
     15     -18.3767      1.00000
     16     -18.3413      1.00000
     17     -17.8596      1.00000
     18     -17.8428      1.00000
     19     -17.6919      1.00000
     20     -17.6557      1.00000
     21     -17.3729      1.00000
     22     -17.3582      1.00000
     23     -17.2675      1.00000
     24     -16.4138      1.00000
     25     -16.3905      1.00000
     26     -15.9056      1.00000
     27     -15.3436      1.00000
     28     -15.3389      1.00000
     29     -15.0312      1.00000
     30     -15.0216      1.00000
     31     -14.7760      1.00000
     32     -14.7745      1.00000
     33     -14.2391      1.00000
     34     -14.1872      1.00000
     35     -13.3892      1.00000
     36     -13.3335      1.00000
     37     -13.1111      1.00000
     38     -13.1033      1.00000
     39     -12.9188      1.00000
     40     -12.9128      1.00000
     41     -12.5453      1.00000
     42     -12.5379      1.00000
     43     -12.1344      1.00000
     44     -11.5135      1.00000
     45     -11.4692      1.00000
     46     -11.2446      1.00000
     47     -11.2131      1.00000
     48     -11.0877      1.00000
     49     -10.7090      1.00000
     50     -10.5953      1.00000
     51     -10.5099      1.00000
     52     -10.2521      1.00000
     53     -10.2482      1.00000
     54     -10.1219      1.00000
     55     -10.0538      1.00000
     56     -10.0396      1.00000
     57      -9.7862      1.00000
     58      -9.6878      1.00000
     59      -9.6742      1.00000
     60      -9.6383      1.00000
     61      -9.6284      1.00000
     62      -9.5858      1.00000
     63      -9.2963      1.00000
     64      -9.2843      1.00000
     65      -9.2527      1.00000
     66      -9.0681      1.00000
     67      -8.8948      1.00000
     68      -8.8846      1.00000
     69      -8.7187      1.00000
     70      -8.5836      1.00000
     71      -8.5259      1.00000
     72      -8.3513      1.00000
     73      -8.3047      1.00000
     74      -8.2428      1.00000
     75      -8.2385      1.00000
     76      -8.1940      1.00000
     77      -8.1820      1.00000
     78      -8.1695      1.00000
     79      -8.1116      1.00000
     80      -7.6906      1.00000
     81      -7.4148      1.00000
     82      -7.3460      1.00000
     83      -7.2582      1.00000
     84      -7.1698      1.00000
     85      -7.1113      1.00000
     86      -7.0033      1.00000
     87      -6.9042      1.00000
     88      -6.8467      1.00000
     89      -6.5411      1.00000
     90      -6.4998      1.00000
     91      -6.2145      1.00000
     92      -6.2010      1.00000
     93      -5.8945      1.00000
     94      -5.6739      1.00000
     95      -5.6090      1.00000
     96      -5.5804      1.00000
     97      -5.2531      1.00000
     98      -5.2315      1.00000
     99      -5.1649      1.00000
    100      -5.1347      1.00000
    101      -4.5996      1.00000
    102      -4.2519      1.00000
    103      -4.0462      1.00000
    104      -3.8850      1.00000
    105      -3.8435      1.00000
    106      -3.8016      1.00000
    107      -1.8070      0.00000
    108      -1.7802      0.00000
    109      -1.2248      0.00000
    110      -1.1766      0.00000
    111      -0.9736      0.00000
    112      -0.7338      0.00000
    113      -0.6509      0.00000
    114      -0.5938      0.00000
    115      -0.5495      0.00000
    116      -0.1502      0.00000
    117       0.1755      0.00000
    118       0.2882      0.00000
    119       0.7055      0.00000
    120       0.9493      0.00000
    121       1.1689      0.00000
    122       1.2782      0.00000
    123       1.3468      0.00000
    124       1.5119      0.00000
    125       1.6079      0.00000
    126       1.6282      0.00000
    127       1.6921      0.00000
    128       1.7745      0.00000
    129       1.8633      0.00000
    130       2.0816      0.00000
    131       2.1686      0.00000
    132       2.3218      0.00000
    133       2.3942      0.00000
    134       2.4251      0.00000
    135       2.5565      0.00000
    136       2.6244      0.00000
    137       2.6886      0.00000
    138       2.7503      0.00000
    139       2.8212      0.00000
    140       2.9106      0.00000
    141       3.0564      0.00000
    142       3.0613      0.00000
    143       3.1850      0.00000
    144       3.2823      0.00000
    145       3.3797      0.00000
    146       3.4156      0.00000
    147       3.4611      0.00000
    148       3.5493      0.00000
    149       3.5784      0.00000
    150       3.6349      0.00000
    151       3.6645      0.00000
    152       3.7016      0.00000
    153       3.7915      0.00000
    154       3.8042      0.00000
    155       3.8254      0.00000
    156       3.8946      0.00000
    157       3.9109      0.00000
    158       3.9809      0.00000
    159       4.1913      0.00000
    160       4.2344      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0397   -7.2574    3.9844   -1.1331   -0.1861   17.3784    0.4864   -0.8142    0.7717   -0.4777
x    -3.1246   -0.0256   -0.0214   -0.0252    0.0904   -3.0536    0.0302   -0.0244    0.0084    0.0018
x    -0.0955   -0.0027    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   -0.0983   -0.0313    0.0619    0.0188
y     0.0229   -3.2428   -0.1795    0.1708   -2.4204   -0.6650
z   204.0397    1.7523    0.2955    0.0878    0.0008    0.0706   -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    0.0987    0.0006   -0.0010   -0.0001   -0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0012   -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  -16.5979
z     0.1406    0.2356   -0.0288    0.0578   -0.0950    0.0006
 total charge-density along one line
x   212.0000  -10.0887    5.9314   -1.9421   -0.4217   19.2977   -0.6630    0.2078    0.0671   -0.1074
x    -2.7045   -0.0093    0.0008   -0.0438    0.0959   -2.3448    0.0476   -0.0345    0.0118    0.0025
x    -0.0856   -0.0053    0.0083   -0.0079    0.0053   -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  -10.0887    5.9314   -1.9421   -0.4217   19.2977   -0.6630    0.2078    0.0671   -0.1074
y    -2.7045   -0.0093    0.0008   -0.0438    0.0959   -2.3448    0.0476   -0.0345    0.0118    0.0025
y    -0.0856   -0.0053    0.0083   -0.0079    0.0053   -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 -205.3379  188.9475 -170.2144  154.0253 -140.2327  126.2772 -110.8100   94.5808  -78.9584
z    64.6303  -51.7194   40.4793  -31.3915   24.6277  -19.6913   15.7238  -12.1287    8.8626   -6.1899
z     4.2570   -2.9259    1.9372   -1.1390    0.5329   -0.1488   -0.0640    0.2138   -0.3666    0.5002
z    -0.5563    0.5194   -0.4362    0.3674   -0.3342    0.3154   -0.2839    0.2367   -0.1900    0.1567
z    -0.1347    0.1145   -0.0921    0.0716   -0.0576    0.0500   -0.0441    0.0370   -0.0296    0.0239
z    -0.0207    0.0185   -0.0159    0.0129   -0.0103    0.0084   -0.0068    0.0053   -0.0039    0.0028
z    -0.0020    0.0012   -0.0004   -0.0002    0.0004   -0.0004    0.0004   -0.0006    0.0007   -0.0007
z     0.0004   -0.0002    0.0001    0.0000    0.0000    0.0001   -0.0002    0.0003   -0.0003    0.0003
z    -0.0003    0.0002   -0.0002    0.0001   -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0000   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.940   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 -11.246   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  -0.026   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 -11.246   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  -0.026   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   1.587   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   0.018   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   0.294   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   0.190  -0.052   0.000   0.115   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   0.065  -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   0.088   0.000   0.000
  0.000   0.259   0.000   0.294   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   0.003  -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   0.190   0.000   0.703   0.000  -0.108   1.351  -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  -0.034   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   0.011  -0.004
 -0.001   0.000   0.096   0.000   0.003   0.115   0.000   0.088   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   0.065   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  -0.036   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  -0.040   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   8.942
  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   2.647
  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   1.785   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   2.646
 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   2.646
 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   2.647
 52        0.864   1.782   0.000   2.646
 53        0.864   1.783   0.000   2.646
------------------------------------------------
tot       44.831  89.436   8.026 142.294
 


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


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


    CHARGE:  VPU time  113.29: CPU time   57.24
    FORLOC:  VPU time    1.26: CPU time    1.25
    FORNL :  VPU time  441.07: CPU time  220.96
    STRESS:  VPU time 1348.33: CPU time  677.41
    FORCOR:  VPU time    8.65: CPU time    8.65
    FORHAR:  VPU time    2.28: CPU time    2.29
    MIXING:  VPU time    0.17: CPU time    0.16
 d Force = 0.3833562E-05[ 0.666E-06, 0.700E-05]  d Energy = 0.4680498E-05-0.847E-06
 d Force = 0.3298246E+00[ 0.330E+00, 0.330E+00]  d Ewald  =-0.7483211E+00 0.108E+01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.644966 eV

  energy  without entropy=     -471.644966  energy(sigma->0) =     -471.644966
 

  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    40728.42  40743.86 -47427.52     13.37      0.00      0.00
  Hartree  40194.59  40197.65 -39447.27      2.65      0.00      0.00
  E(xc)     -779.75   -779.55   -807.26      0.17      0.00      0.00
  Local   -83216.22 -83228.69  84192.29    -10.80      0.00      0.00
  n-local   -215.79   -215.68   -203.84     -0.16      0.00      0.00
  augment     22.10     20.54     17.35     -1.35      0.00      0.00
  Kinetic   3168.74   3171.53   3582.15     -6.05      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.21     -0.19     -0.17      0.01      0.00      0.00
  in kB       -0.12     -0.12     -0.10      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
    12.347452250  0.001527503  0.000000000     0.080982585  0.046742029  0.000000000
    -6.172409911 10.693966895  0.000000000    -0.000011567  0.093503993  0.000000000
     0.000000000  0.000000000 19.977344902     0.000000000  0.000000000  0.050056702

  length of vectors
    12.347452344 12.347452047 19.977344902     0.093503991  0.093503993  0.050056702


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.478E-05 -.455E-04 -.961E+03   0.435E-05 -.274E-04 0.968E+03   -.422E-21 0.139E-23 -.784E+01   -.559E-07 0.262E-07 0.764E-02
   -.175E+02 -.303E+02 -.136E+03   0.183E+02 0.318E+02 0.139E+03   -.826E+00 -.143E+01 -.258E+01   -.273E-03 -.474E-03 -.472E-03
   0.175E+02 0.303E+02 -.136E+03   -.183E+02 -.318E+02 0.139E+03   0.826E+00 0.143E+01 -.258E+01   0.273E-03 0.474E-03 -.472E-03
   -.196E+01 0.113E+01 0.178E+02   0.197E+01 -.114E+01 -.178E+02   -.109E-01 0.632E-02 -.393E-02   -.126E-03 0.696E-04 0.692E-03
   0.581E+01 0.683E+01 0.204E+02   -.582E+01 -.686E+01 -.203E+02   0.515E-02 0.358E-01 -.191E-01   -.723E-03 0.137E-02 0.110E-02
   0.112E+02 0.506E+01 0.186E+02   -.112E+02 -.507E+01 -.185E+02   0.287E-01 0.943E-02 -.545E-01   0.427E-03 -.687E-03 -.211E-03
   0.451E+01 -.100E+01 0.163E+02   -.452E+01 0.102E+01 -.163E+02   0.206E-01 -.184E-01 -.244E-02   0.451E-03 -.505E-03 0.122E-03
   -.291E+01 -.241E+01 0.154E+02   0.293E+01 0.243E+01 -.154E+02   -.154E-01 -.150E-01 0.271E-02   -.229E-03 0.571E-03 -.437E-03
   0.632E+00 0.373E+01 0.154E+02   -.639E+00 -.375E+01 -.154E+02   0.529E-02 0.208E-01 0.271E-02   -.614E-03 -.936E-04 -.441E-03
   0.274E+01 0.182E+02 0.249E+02   -.275E+01 -.183E+02 -.249E+02   0.625E-02 0.106E+00 -.640E-02   -.165E-03 -.170E-02 -.163E-03
   0.214E+02 0.225E+02 0.396E+02   -.216E+02 -.228E+02 -.396E+02   0.114E+00 0.232E+00 -.171E-01   -.367E-05 0.210E-02 -.106E-02
   0.265E+02 -.452E+01 0.265E+02   -.268E+02 0.464E+01 -.264E+02   0.237E+00 -.118E+00 -.570E-01   -.417E-03 0.766E-03 -.274E-03
   0.919E+01 -.530E+01 0.155E+02   -.921E+01 0.531E+01 -.155E+02   0.153E-01 -.886E-02 0.478E-02   -.114E-02 0.652E-03 -.498E-04
   0.312E+01 -.340E+01 0.163E+02   -.314E+01 0.341E+01 -.163E+02   0.262E-01 -.862E-02 -.244E-02   0.661E-03 -.142E-03 0.113E-03
   -.607E+01 0.132E+02 0.199E+02   0.608E+01 -.133E+02 -.199E+02   -.357E-02 0.729E-01 -.101E-01   0.732E-03 -.441E-03 -.201E-04
   -.122E+02 0.335E+02 0.454E+02   0.123E+02 -.342E+02 -.457E+02   -.966E-01 0.680E+00 0.347E+00   -.136E-02 -.542E-03 -.114E-03
   0.265E+02 -.153E+02 0.688E+02   -.275E+02 0.159E+02 -.709E+02   0.969E+00 -.560E+00 0.210E+01   -.166E-02 0.958E-03 0.154E-02
   0.172E+02 -.207E+02 0.265E+02   -.174E+02 0.208E+02 -.264E+02   0.221E+00 -.147E+00 -.570E-01   -.874E-03 -.290E-04 -.279E-03
   0.123E+01 -.123E+02 0.186E+02   -.123E+01 0.123E+02 -.185E+02   0.617E-02 -.296E-01 -.545E-01   0.811E-03 -.278E-04 -.217E-03
   -.387E+01 0.153E+01 0.145E+02   0.388E+01 -.153E+01 -.145E+02   -.748E-02 0.374E-02 -.411E-01   -.124E-04 0.776E-03 0.393E-04
   -.182E+02 0.105E+02 0.206E+02   0.182E+02 -.105E+02 -.204E+02   -.661E-01 0.381E-01 -.129E+00   -.942E-03 0.548E-03 -.304E-03
   -.351E+02 -.615E+01 0.454E+02   0.358E+02 0.641E+01 -.457E+02   -.637E+00 -.256E+00 0.347E+00   -.208E-03 0.145E-02 -.110E-03
   -.881E+01 -.298E+02 0.396E+02   0.894E+01 0.301E+02 -.396E+02   -.144E+00 -.215E+00 -.171E-01   -.181E-02 -.105E-02 -.107E-02
   -.301E+01 -.845E+01 0.204E+02   0.303E+01 0.847E+01 -.203E+02   -.284E-01 -.224E-01 -.191E-01   -.155E-02 -.630E-04 0.110E-02
   0.128E+01 -.736E+00 0.154E+02   -.128E+01 0.736E+00 -.154E+02   -.278E-02 0.161E-02 -.287E-01   -.518E-03 0.301E-03 -.573E-03
   -.326E+01 0.259E+01 0.145E+02   0.327E+01 -.259E+01 -.145E+02   -.698E-02 0.461E-02 -.411E-01   -.676E-03 -.373E-03 0.442E-04
   -.145E+02 -.134E+01 0.199E+02   0.145E+02 0.137E+01 -.199E+02   -.649E-01 -.334E-01 -.101E-01   0.749E-03 -.415E-03 -.123E-04
   -.144E+02 -.115E+02 0.249E+02   0.145E+02 0.115E+02 -.249E+02   -.890E-01 -.586E-01 -.640E-02   0.139E-02 0.987E-03 -.160E-03
   0.301E+01 0.845E+01 0.204E+02   -.303E+01 -.847E+01 -.203E+02   0.284E-01 0.224E-01 -.191E-01   0.155E-02 0.630E-04 0.110E-02
   0.144E+02 0.115E+02 0.249E+02   -.145E+02 -.115E+02 -.249E+02   0.890E-01 0.586E-01 -.640E-02   -.139E-02 -.987E-03 -.160E-03
   0.145E+02 0.134E+01 0.199E+02   -.145E+02 -.137E+01 -.199E+02   0.649E-01 0.334E-01 -.101E-01   -.749E-03 0.415E-03 -.123E-04
   0.326E+01 -.259E+01 0.145E+02   -.327E+01 0.259E+01 -.145E+02   0.698E-02 -.461E-02 -.411E-01   0.677E-03 0.373E-03 0.442E-04
   -.128E+01 0.736E+00 0.154E+02   0.128E+01 -.736E+00 -.154E+02   0.278E-02 -.161E-02 -.287E-01   0.518E-03 -.301E-03 -.573E-03
   -.123E+01 0.123E+02 0.186E+02   0.123E+01 -.123E+02 -.185E+02   -.617E-02 0.296E-01 -.545E-01   -.811E-03 0.278E-04 -.217E-03
   0.881E+01 0.298E+02 0.396E+02   -.894E+01 -.301E+02 -.396E+02   0.144E+00 0.215E+00 -.171E-01   0.181E-02 0.105E-02 -.107E-02
   0.351E+02 0.615E+01 0.454E+02   -.358E+02 -.641E+01 -.457E+02   0.637E+00 0.256E+00 0.347E+00   0.208E-03 -.145E-02 -.110E-03
   0.182E+02 -.105E+02 0.206E+02   -.182E+02 0.105E+02 -.204E+02   0.661E-01 -.381E-01 -.129E+00   0.942E-03 -.548E-03 -.304E-03
   0.387E+01 -.153E+01 0.145E+02   -.388E+01 0.153E+01 -.145E+02   0.748E-02 -.374E-02 -.411E-01   0.124E-04 -.776E-03 0.393E-04
   -.312E+01 0.340E+01 0.163E+02   0.314E+01 -.341E+01 -.163E+02   -.262E-01 0.862E-02 -.244E-02   -.661E-03 0.142E-03 0.113E-03
   -.172E+02 0.207E+02 0.265E+02   0.174E+02 -.208E+02 -.264E+02   -.221E+00 0.147E+00 -.570E-01   0.874E-03 0.290E-04 -.279E-03
   -.265E+02 0.153E+02 0.688E+02   0.275E+02 -.159E+02 -.709E+02   -.969E+00 0.560E+00 0.210E+01   0.166E-02 -.958E-03 0.154E-02
   0.122E+02 -.335E+02 0.454E+02   -.123E+02 0.342E+02 -.457E+02   0.966E-01 -.680E+00 0.347E+00   0.136E-02 0.542E-03 -.114E-03
   0.607E+01 -.132E+02 0.199E+02   -.608E+01 0.133E+02 -.199E+02   0.357E-02 -.729E-01 -.101E-01   -.732E-03 0.441E-03 -.201E-04
   -.633E+00 -.373E+01 0.154E+02   0.639E+00 0.375E+01 -.154E+02   -.529E-02 -.208E-01 0.271E-02   0.614E-03 0.936E-04 -.441E-03
   -.919E+01 0.530E+01 0.155E+02   0.921E+01 -.531E+01 -.155E+02   -.153E-01 0.886E-02 0.478E-02   0.114E-02 -.652E-03 -.498E-04
   -.265E+02 0.452E+01 0.265E+02   0.268E+02 -.464E+01 -.264E+02   -.237E+00 0.118E+00 -.570E-01   0.417E-03 -.766E-03 -.274E-03
   -.214E+02 -.225E+02 0.396E+02   0.216E+02 0.228E+02 -.396E+02   -.114E+00 -.232E+00 -.171E-01   0.363E-05 -.210E-02 -.106E-02
   -.274E+01 -.182E+02 0.249E+02   0.275E+01 0.183E+02 -.249E+02   -.625E-02 -.106E+00 -.640E-02   0.165E-03 0.170E-02 -.163E-03
   0.196E+01 -.113E+01 0.178E+02   -.197E+01 0.114E+01 -.178E+02   0.109E-01 -.632E-02 -.393E-02   0.126E-03 -.696E-04 0.692E-03
   0.291E+01 0.241E+01 0.154E+02   -.293E+01 -.243E+01 -.154E+02   0.154E-01 0.150E-01 0.271E-02   0.229E-03 -.571E-03 -.437E-03
   -.451E+01 0.100E+01 0.163E+02   0.452E+01 -.102E+01 -.163E+02   -.206E-01 0.184E-01 -.244E-02   -.451E-03 0.505E-03 0.122E-03
   -.112E+02 -.506E+01 0.186E+02   0.112E+02 0.507E+01 -.185E+02   -.287E-01 -.943E-02 -.545E-01   -.427E-03 0.687E-03 -.211E-03
   -.581E+01 -.683E+01 0.204E+02   0.582E+01 0.686E+01 -.203E+02   -.515E-02 -.358E-01 -.191E-01   0.723E-03 -.137E-02 0.110E-02
 -----------------------------------------------------------------------------------------------
   -.183E-02 0.312E-03 0.855E+01   -.121E-12 -.139E-12 0.242E-12   0.571E-15 -.340E-15 -.854E+01   -.855E-07 0.505E-07 0.521E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85286      6.06058     12.31977         0.000000      0.000000      0.026634
      2.25952      6.76493     13.64038         0.005083      0.008804      0.004883
      1.44621      5.35623     13.64038        -0.005083     -0.008804      0.004883
      0.00060     -0.00035      9.93664        -0.003773      0.002178     -0.002661
     11.11223      2.13908      9.93912        -0.003867      0.008899     -0.002995
      9.87660      4.27868      9.95311         0.006657     -0.000022     -0.000183
      8.64327      6.41798      9.95344         0.003181     -0.002913     -0.001091
     -4.93631      8.55523      9.94677        -0.000722      0.002127      0.000587
      2.47025     -0.00113      9.94677        -0.002203     -0.000438      0.000587
      1.23477      2.13617      9.95256        -0.005715     -0.009365     -0.000159
     -0.00394      4.27464      9.98357        -0.005324      0.013680      0.001448
     -1.23847      6.41575      9.99059         0.000566      0.005164     -0.000453
     -2.46713      8.55472      9.96154        -0.005603      0.003235     -0.000840
      4.93856      0.00121      9.95344         0.004113     -0.001298     -0.001091
      3.70479      2.13648      9.96182         0.004508     -0.005694     -0.000411
      2.47081      4.26289     10.02905        -0.012746      0.001251     -0.001503
      1.22847      6.42107     10.10198        -0.016147      0.009322     -0.004958
     -0.00040      8.56016      9.99059        -0.004189     -0.003072     -0.000453
      7.40790      0.00276      9.95311         0.003347     -0.005754     -0.000183
      6.17343      2.13988      9.95371        -0.001812      0.003572     -0.000201
      4.94040      4.27799      9.98454        -0.004750      0.002742     -0.000565
      3.71868      6.42427     10.02905        -0.007456      0.010412     -0.001503
      2.47112      8.56159      9.98357        -0.014509     -0.002229      0.001448
      9.87867      0.00249      9.93912        -0.009641     -0.001100     -0.002995
      8.64271      2.14046      9.94204        -0.003119      0.001801      0.000747
      7.40857      4.27921      9.95371        -0.003999     -0.000217     -0.000201
      6.17719      6.41881      9.96182         0.007185     -0.001057     -0.000411
      4.94245      8.55807      9.95256         0.005253      0.009632     -0.000159
     -0.00053      1.42470      9.93912         0.009641      0.001100     -0.002995
     -1.23672      3.56309      9.95256        -0.005253     -0.009632     -0.000159
     -2.47147      5.70234      9.96182        -0.007185      0.001057     -0.000411
     -3.70284      7.84195      9.95371         0.003999      0.000217     -0.000201
     -4.93698      9.98069      9.94204         0.003119     -0.001801      0.000747
      2.47023      1.42442      9.95311        -0.003347      0.005754     -0.000183
      1.23460      3.55957      9.98357         0.014509      0.002229      0.001448
     -0.01295      5.69689     10.02905         0.007456     -0.010412     -0.001503
     -1.23467      7.84316      9.98454         0.004750     -0.002742     -0.000565
     -2.46770      9.98127      9.95371         0.001812     -0.003572     -0.000201
      4.93958      1.42597      9.95344        -0.004113      0.001298     -0.001091
      3.70613      3.56099      9.99059         0.004189      0.003072     -0.000453
      2.47726      5.70008     10.10198         0.016147     -0.009322     -0.004958
      1.23492      7.85826     10.02905         0.012746     -0.001251     -0.001503
      0.00094      9.98467      9.96182        -0.004508      0.005694     -0.000411
      7.40789      1.42832      9.94677         0.002203      0.000438      0.000587
      6.17286      3.56643      9.96154         0.005603     -0.003235     -0.000840
      4.94420      5.70540      9.99059        -0.000566     -0.005164     -0.000453
      3.70967      7.84651      9.98357         0.005324     -0.013680      0.001448
      2.47096      9.98498      9.95256         0.005715      0.009365     -0.000159
      9.87754      1.42753      9.93664         0.003773     -0.002178     -0.002661
      8.64203      3.56592      9.94677         0.000722     -0.002127      0.000587
      7.40991      5.70471      9.95344        -0.003181      0.002913     -0.001091
      6.17658      7.84400      9.95311        -0.006657      0.000022     -0.000183
      4.94095      9.98360      9.93912         0.003867     -0.008899     -0.002995
 -----------------------------------------------------------------------------------
    total drift:                               -0.001829      0.000312      0.011790


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




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


    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  189.85: CPU time   95.05
     LOOP+:  VPU time 5335.33: CPU time 2732.14


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


    POTLOK:  VPU time    9.31: CPU time    9.13
    SETDIJ:  VPU time    0.35: CPU time    0.34
    EDDAV :  VPU time 1604.23: CPU time  828.99
 BZINTS: Fermi energy: -3.152638;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  113.47: CPU time   57.24
    MIXING:  VPU time    0.14: CPU time    0.14
    ------------------------------------------
      LOOP:  VPU time 1727.55: CPU time  895.87

 eigenvalue-minimisations  :  5120
 total energy-change (2. order) :-0.4716450E+03  (-0.4760877E-04)
 number of electron  212.0000066 magnetization    0.0000000
 augmentation part     7.9604004 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.47452E-03    rms(broyden)= 0.47438E-03
  rms(prec ) = 0.51333E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34045.23803538
  -1/2 Hartree   DENC   =    -40945.24836568
  -V(xc)+E(xc)   XCENC  =       726.61082950
  PAW double counting   =      4092.89098028    -4131.27377604
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.30253923
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64498219 eV

  energy without entropy =     -471.64498219  energy(sigma->0) =     -471.64498219


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




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


    POTLOK:  VPU time    9.03: CPU time    9.03
    SETDIJ:  VPU time    0.33: CPU time    0.33
    EDDAV :  VPU time 1332.12: CPU time  690.79
 BZINTS: Fermi energy: -3.153150;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1341.54: CPU time  700.18

 eigenvalue-minimisations  :  3872
 total energy-change (2. order) :-0.2506840E-06  (-0.9752643E-06)
 number of electron  212.0000066 magnetization    0.0000000
 augmentation part     7.9604004 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34045.23803538
  -1/2 Hartree   DENC   =    -40945.27261881
  -V(xc)+E(xc)   XCENC  =       726.61174774
  PAW double counting   =      4092.89635407    -4131.27886743
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.27948700
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64498244 eV

  energy without entropy =     -471.64498244  energy(sigma->0) =     -471.64498244


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




 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 -39.9851       3 -39.9851       4 -58.2442       5 -58.2486
       6 -58.2560       7 -58.2469       8 -58.2451       9 -58.2451      10 -58.2609
      11 -58.3155      12 -58.2925      13 -58.2501      14 -58.2469      15 -58.2578
      16 -58.4382      17 -58.7320      18 -58.2925      19 -58.2560      20 -58.2505
      21 -58.2776      22 -58.4382      23 -58.3155      24 -58.2486      25 -58.2439
      26 -58.2505      27 -58.2578      28 -58.2609      29 -58.2485      30 -58.2608
      31 -58.2577      32 -58.2504      33 -58.2438      34 -58.2559      35 -58.3153
      36 -58.4381      37 -58.2775      38 -58.2504      39 -58.2467      40 -58.2923
      41 -58.7319      42 -58.4381      43 -58.2577      44 -58.2450      45 -58.2500
      46 -58.2924      47 -58.3154      48 -58.2608      49 -58.2441      50 -58.2450
      51 -58.2468      52 -58.2559      53 -58.2485
 
 
 
 E-fermi :  -3.1532     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     -22.3566      1.00000
      2     -21.5370      1.00000
      3     -21.4072      1.00000
      4     -21.4061      1.00000
      5     -21.3750      1.00000
      6     -21.3658      1.00000
      7     -21.3586      1.00000
      8     -19.6470      1.00000
      9     -19.5720      1.00000
     10     -19.5649      1.00000
     11     -19.5583      1.00000
     12     -19.5405      1.00000
     13     -19.5378      1.00000
     14     -18.7286      1.00000
     15     -18.6795      1.00000
     16     -18.6720      1.00000
     17     -18.6583      1.00000
     18     -18.6432      1.00000
     19     -18.6420      1.00000
     20     -16.5865      1.00000
     21     -16.5261      1.00000
     22     -16.5238      1.00000
     23     -16.5116      1.00000
     24     -16.4868      1.00000
     25     -16.4851      1.00000
     26     -15.5599      1.00000
     27     -15.5265      1.00000
     28     -15.5256      1.00000
     29     -15.4991      1.00000
     30     -15.4946      1.00000
     31     -15.4886      1.00000
     32     -14.2069      1.00000
     33     -14.1799      1.00000
     34     -14.1677      1.00000
     35     -14.1648      1.00000
     36     -14.1597      1.00000
     37     -14.1490      1.00000
     38     -11.8857      1.00000
     39     -11.8089      1.00000
     40     -11.7920      1.00000
     41     -11.7916      1.00000
     42     -11.7883      1.00000
     43     -11.7822      1.00000
     44     -11.7046      1.00000
     45     -11.6985      1.00000
     46     -11.6726      1.00000
     47     -11.6577      1.00000
     48     -11.6576      1.00000
     49     -11.6508      1.00000
     50     -10.6755      1.00000
     51     -10.3293      1.00000
     52     -10.3208      1.00000
     53     -10.3053      1.00000
     54     -10.3047      1.00000
     55     -10.2910      1.00000
     56     -10.2779      1.00000
     57      -9.9293      1.00000
     58      -9.3731      1.00000
     59      -9.3593      1.00000
     60      -9.3002      1.00000
     61      -9.2919      1.00000
     62      -9.2852      1.00000
     63      -9.0938      1.00000
     64      -9.0540      1.00000
     65      -9.0497      1.00000
     66      -9.0258      1.00000
     67      -9.0076      1.00000
     68      -9.0021      1.00000
     69      -9.0011      1.00000
     70      -8.9945      1.00000
     71      -8.9921      1.00000
     72      -8.9711      1.00000
     73      -8.9640      1.00000
     74      -8.9548      1.00000
     75      -8.5049      1.00000
     76      -7.5120      1.00000
     77      -7.4122      1.00000
     78      -7.4098      1.00000
     79      -7.4007      1.00000
     80      -7.3833      1.00000
     81      -7.3646      1.00000
     82      -7.3402      1.00000
     83      -7.3094      1.00000
     84      -7.2699      1.00000
     85      -7.2059      1.00000
     86      -7.1801      1.00000
     87      -7.1798      1.00000
     88      -7.0724      1.00000
     89      -6.5092      1.00000
     90      -6.4614      1.00000
     91      -6.3550      1.00000
     92      -6.2930      1.00000
     93      -6.2880      1.00000
     94      -6.2863      1.00000
     95      -5.8979      1.00000
     96      -5.8839      1.00000
     97      -5.0501      1.00000
     98      -4.9363      1.00000
     99      -4.5391      1.00000
    100      -4.3413      1.00000
    101      -4.3180      1.00000
    102      -4.3170      1.00000
    103      -4.1158      1.00000
    104      -3.9125      1.00000
    105      -3.9012      1.00000
    106      -3.8351      1.00000
    107      -1.6818      0.00000
    108      -1.6695      0.00000
    109      -1.5356      0.00000
    110      -1.5349      0.00000
    111      -1.5221      0.00000
    112      -1.5087      0.00000
    113      -0.5840      0.00000
    114       0.1330      0.00000
    115       0.2067      0.00000
    116       0.3249      0.00000
    117       0.3268      0.00000
    118       0.3339      0.00000
    119       0.4970      0.00000
    120       0.5949      0.00000
    121       1.2593      0.00000
    122       1.2733      0.00000
    123       1.5264      0.00000
    124       1.7997      0.00000
    125       1.8030      0.00000
    126       1.8061      0.00000
    127       1.8109      0.00000
    128       1.9451      0.00000
    129       1.9787      0.00000
    130       2.0321      0.00000
    131       2.0461      0.00000
    132       2.0513      0.00000
    133       2.0550      0.00000
    134       2.0593      0.00000
    135       2.3054      0.00000
    136       2.3265      0.00000
    137       2.6113      0.00000
    138       2.6183      0.00000
    139       2.6468      0.00000
    140       2.7294      0.00000
    141       2.8612      0.00000
    142       3.0307      0.00000
    143       3.0573      0.00000
    144       3.0938      0.00000
    145       3.1022      0.00000
    146       3.1068      0.00000
    147       3.1103      0.00000
    148       3.2333      0.00000
    149       3.4527      0.00000
    150       3.5400      0.00000
    151       3.7901      0.00000
    152       3.9475      0.00000
    153       3.9538      0.00000
    154       3.9598      0.00000
    155       3.9662      0.00000
    156       3.9986      0.00000
    157       4.1828      0.00000
    158       4.2677      0.00000
    159       4.2873      0.00000
    160       4.2883      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     -21.5708      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     -17.0099      1.00000
     21     -16.9596      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     -13.6520      1.00000
     37     -13.1695      1.00000
     38     -12.5514      1.00000
     39     -12.5173      1.00000
     40     -12.3911      1.00000
     41     -12.3779      1.00000
     42     -12.0577      1.00000
     43     -12.0345      1.00000
     44     -11.6596      1.00000
     45     -11.6174      1.00000
     46     -11.1812      1.00000
     47     -11.1564      1.00000
     48     -10.9654      1.00000
     49     -10.9406      1.00000
     50     -10.8742      1.00000
     51     -10.8373      1.00000
     52     -10.6038      1.00000
     53     -10.0938      1.00000
     54     -10.0884      1.00000
     55     -10.0467      1.00000
     56      -9.9713      1.00000
     57      -9.6548      1.00000
     58      -9.6291      1.00000
     59      -9.5922      1.00000
     60      -9.5297      1.00000
     61      -9.5110      1.00000
     62      -9.4788      1.00000
     63      -9.2651      1.00000
     64      -9.2411      1.00000
     65      -9.2211      1.00000
     66      -9.1664      1.00000
     67      -9.0685      1.00000
     68      -9.0467      1.00000
     69      -9.0409      1.00000
     70      -8.8831      1.00000
     71      -8.8066      1.00000
     72      -8.5795      1.00000
     73      -8.5227      1.00000
     74      -8.4638      1.00000
     75      -8.0349      1.00000
     76      -7.8122      1.00000
     77      -7.8071      1.00000
     78      -7.7931      1.00000
     79      -7.7004      1.00000
     80      -7.6904      1.00000
     81      -7.3608      1.00000
     82      -7.2740      1.00000
     83      -7.2647      1.00000
     84      -7.2147      1.00000
     85      -7.1722      1.00000
     86      -7.0083      1.00000
     87      -6.9476      1.00000
     88      -6.7472      1.00000
     89      -6.6724      1.00000
     90      -6.5937      1.00000
     91      -6.5591      1.00000
     92      -6.0505      1.00000
     93      -6.0474      1.00000
     94      -6.0218      1.00000
     95      -5.9588      1.00000
     96      -5.7364      1.00000
     97      -5.1573      1.00000
     98      -4.9895      1.00000
     99      -4.7187      1.00000
    100      -4.6110      1.00000
    101      -4.4405      1.00000
    102      -4.3740      1.00000
    103      -4.1224      1.00000
    104      -3.8682      1.00000
    105      -3.8349      1.00000
    106      -3.7904      1.00000
    107      -1.7860      0.00000
    108      -1.7385      0.00000
    109      -1.3942      0.00000
    110      -1.3465      0.00000
    111      -1.2637      0.00000
    112      -1.2253      0.00000
    113      -0.7445      0.00000
    114      -0.3783      0.00000
    115      -0.2207      0.00000
    116      -0.0174      0.00000
    117       0.5896      0.00000
    118       0.7363      0.00000
    119       0.7640      0.00000
    120       1.0497      0.00000
    121       1.1418      0.00000
    122       1.2503      0.00000
    123       1.2716      0.00000
    124       1.4142      0.00000
    125       1.4788      0.00000
    126       1.5851      0.00000
    127       1.7586      0.00000
    128       1.8411      0.00000
    129       1.8973      0.00000
    130       1.9589      0.00000
    131       2.1075      0.00000
    132       2.2342      0.00000
    133       2.2494      0.00000
    134       2.2958      0.00000
    135       2.4891      0.00000
    136       2.6157      0.00000
    137       2.6414      0.00000
    138       2.7663      0.00000
    139       2.8036      0.00000
    140       2.8598      0.00000
    141       2.8702      0.00000
    142       2.8936      0.00000
    143       2.9620      0.00000
    144       3.0817      0.00000
    145       3.2822      0.00000
    146       3.3086      0.00000
    147       3.3807      0.00000
    148       3.4123      0.00000
    149       3.4694      0.00000
    150       3.5914      0.00000
    151       3.6418      0.00000
    152       3.6724      0.00000
    153       3.7105      0.00000
    154       3.9086      0.00000
    155       3.9440      0.00000
    156       3.9828      0.00000
    157       4.0861      0.00000
    158       4.2052      0.00000
    159       4.2478      0.00000
    160       4.2990      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     -21.6495      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     -19.4428      1.00000
     12     -19.4154      1.00000
     13     -19.2416      1.00000
     14     -19.2273      1.00000
     15     -18.3843      1.00000
     16     -18.3399      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     -13.3713      1.00000
     36     -13.3369      1.00000
     37     -13.1202      1.00000
     38     -13.1025      1.00000
     39     -12.9164      1.00000
     40     -12.9028      1.00000
     41     -12.5570      1.00000
     42     -12.5389      1.00000
     43     -12.1332      1.00000
     44     -11.5226      1.00000
     45     -11.4743      1.00000
     46     -11.2542      1.00000
     47     -11.2200      1.00000
     48     -11.0796      1.00000
     49     -10.6608      1.00000
     50     -10.5888      1.00000
     51     -10.5242      1.00000
     52     -10.2575      1.00000
     53     -10.2493      1.00000
     54     -10.1232      1.00000
     55     -10.0486      1.00000
     56     -10.0414      1.00000
     57      -9.7707      1.00000
     58      -9.7049      1.00000
     59      -9.6802      1.00000
     60      -9.6307      1.00000
     61      -9.6261      1.00000
     62      -9.5879      1.00000
     63      -9.2948      1.00000
     64      -9.2852      1.00000
     65      -9.2537      1.00000
     66      -9.0904      1.00000
     67      -8.8968      1.00000
     68      -8.8839      1.00000
     69      -8.7249      1.00000
     70      -8.5906      1.00000
     71      -8.5145      1.00000
     72      -8.3311      1.00000
     73      -8.3028      1.00000
     74      -8.2647      1.00000
     75      -8.2331      1.00000
     76      -8.1947      1.00000
     77      -8.1864      1.00000
     78      -8.1708      1.00000
     79      -8.1048      1.00000
     80      -7.6888      1.00000
     81      -7.3541      1.00000
     82      -7.3101      1.00000
     83      -7.2635      1.00000
     84      -7.1871      1.00000
     85      -7.1243      1.00000
     86      -7.0768      1.00000
     87      -6.9071      1.00000
     88      -6.8823      1.00000
     89      -6.5498      1.00000
     90      -6.4922      1.00000
     91      -6.2101      1.00000
     92      -6.0702      1.00000
     93      -5.9423      1.00000
     94      -5.7157      1.00000
     95      -5.6329      1.00000
     96      -5.4523      1.00000
     97      -5.3052      1.00000
     98      -5.2340      1.00000
     99      -5.1521      1.00000
    100      -5.1515      1.00000
    101      -4.5238      1.00000
    102      -4.4707      1.00000
    103      -4.1432      1.00000
    104      -3.8381      1.00000
    105      -3.7572      1.00000
    106      -3.6794      1.00000
    107      -1.8715      0.00000
    108      -1.8240      0.00000
    109      -1.2767      0.00000
    110      -1.0367      0.00000
    111      -1.0110      0.00000
    112      -0.7121      0.00000
    113      -0.6401      0.00000
    114      -0.5880      0.00000
    115      -0.5455      0.00000
    116      -0.2009      0.00000
    117       0.2524      0.00000
    118       0.2791      0.00000
    119       0.7597      0.00000
    120       0.9448      0.00000
    121       1.1320      0.00000
    122       1.2261      0.00000
    123       1.3204      0.00000
    124       1.4119      0.00000
    125       1.6004      0.00000
    126       1.6334      0.00000
    127       1.7003      0.00000
    128       1.8249      0.00000
    129       1.9191      0.00000
    130       2.0115      0.00000
    131       2.1151      0.00000
    132       2.3337      0.00000
    133       2.3961      0.00000
    134       2.4322      0.00000
    135       2.5411      0.00000
    136       2.6345      0.00000
    137       2.7621      0.00000
    138       2.8275      0.00000
    139       2.8326      0.00000
    140       2.8904      0.00000
    141       3.0466      0.00000
    142       3.0898      0.00000
    143       3.1860      0.00000
    144       3.2398      0.00000
    145       3.3885      0.00000
    146       3.4226      0.00000
    147       3.4835      0.00000
    148       3.5783      0.00000
    149       3.6026      0.00000
    150       3.6277      0.00000
    151       3.6514      0.00000
    152       3.7428      0.00000
    153       3.7736      0.00000
    154       3.7886      0.00000
    155       3.8140      0.00000
    156       3.8970      0.00000
    157       3.9774      0.00000
    158       4.0100      0.00000
    159       4.1773      0.00000
    160       4.2421      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     -21.8232      1.00000
      4     -21.3119      1.00000
      5     -21.2815      1.00000
      6     -20.7705      1.00000
      7     -20.7047      1.00000
      8     -20.5563      1.00000
      9     -20.0093      1.00000
     10     -20.0012      1.00000
     11     -19.6480      1.00000
     12     -19.6235      1.00000
     13     -18.9299      1.00000
     14     -18.9207      1.00000
     15     -18.5702      1.00000
     16     -18.5571      1.00000
     17     -18.3938      1.00000
     18     -17.6153      1.00000
     19     -17.5585      1.00000
     20     -17.5533      1.00000
     21     -17.5119      1.00000
     22     -17.0554      1.00000
     23     -17.0385      1.00000
     24     -16.8911      1.00000
     25     -15.9293      1.00000
     26     -15.8681      1.00000
     27     -15.5158      1.00000
     28     -15.5157      1.00000
     29     -15.2289      1.00000
     30     -14.7940      1.00000
     31     -14.7674      1.00000
     32     -14.5152      1.00000
     33     -14.4709      1.00000
     34     -14.1023      1.00000
     35     -14.0907      1.00000
     36     -13.0758      1.00000
     37     -13.0325      1.00000
     38     -12.9670      1.00000
     39     -12.9544      1.00000
     40     -12.6455      1.00000
     41     -12.6380      1.00000
     42     -12.2743      1.00000
     43     -12.2427      1.00000
     44     -11.5883      1.00000
     45     -11.5609      1.00000
     46     -11.5070      1.00000
     47     -10.9056      1.00000
     48     -10.8510      1.00000
     49     -10.6232      1.00000
     50     -10.5582      1.00000
     51     -10.4846      1.00000
     52     -10.4337      1.00000
     53     -10.4238      1.00000
     54     -10.3703      1.00000
     55     -10.2932      1.00000
     56     -10.0660      1.00000
     57      -9.8332      1.00000
     58      -9.5475      1.00000
     59      -9.4879      1.00000
     60      -9.4728      1.00000
     61      -9.3463      1.00000
     62      -9.3308      1.00000
     63      -9.3099      1.00000
     64      -9.3079      1.00000
     65      -9.2143      1.00000
     66      -9.1128      1.00000
     67      -9.0808      1.00000
     68      -9.0504      1.00000
     69      -8.8498      1.00000
     70      -8.7927      1.00000
     71      -8.7747      1.00000
     72      -8.5271      1.00000
     73      -8.4764      1.00000
     74      -8.2245      1.00000
     75      -8.1113      1.00000
     76      -8.0992      1.00000
     77      -7.8078      1.00000
     78      -7.7825      1.00000
     79      -7.7814      1.00000
     80      -7.6744      1.00000
     81      -7.6309      1.00000
     82      -7.6308      1.00000
     83      -7.3994      1.00000
     84      -7.3246      1.00000
     85      -7.1967      1.00000
     86      -6.8402      1.00000
     87      -6.8287      1.00000
     88      -6.6622      1.00000
     89      -6.5387      1.00000
     90      -6.3437      1.00000
     91      -6.3071      1.00000
     92      -6.1844      1.00000
     93      -6.1483      1.00000
     94      -5.9774      1.00000
     95      -5.5721      1.00000
     96      -5.4260      1.00000
     97      -5.2585      1.00000
     98      -5.2515      1.00000
     99      -5.1490      1.00000
    100      -4.6955      1.00000
    101      -4.6652      1.00000
    102      -4.3493      1.00000
    103      -4.3163      1.00000
    104      -3.9646      1.00000
    105      -3.8315      1.00000
    106      -3.3890      1.00000
    107      -2.2208      0.00000
    108      -1.3777      0.00000
    109      -1.2866      0.00000
    110      -1.1727      0.00000
    111      -1.0774      0.00000
    112      -0.8929      0.00000
    113      -0.7674      0.00000
    114      -0.7572      0.00000
    115      -0.2164      0.00000
    116       0.1126      0.00000
    117       0.2638      0.00000
    118       0.3463      0.00000
    119       0.7334      0.00000
    120       0.9040      0.00000
    121       0.9716      0.00000
    122       1.0941      0.00000
    123       1.2077      0.00000
    124       1.5292      0.00000
    125       1.5626      0.00000
    126       1.7152      0.00000
    127       1.8388      0.00000
    128       1.8625      0.00000
    129       1.9730      0.00000
    130       1.9972      0.00000
    131       2.1633      0.00000
    132       2.2676      0.00000
    133       2.4558      0.00000
    134       2.4735      0.00000
    135       2.5120      0.00000
    136       2.6662      0.00000
    137       2.6861      0.00000
    138       2.7316      0.00000
    139       2.7469      0.00000
    140       2.8938      0.00000
    141       3.0221      0.00000
    142       3.0856      0.00000
    143       3.1985      0.00000
    144       3.2593      0.00000
    145       3.2628      0.00000
    146       3.2712      0.00000
    147       3.3636      0.00000
    148       3.4847      0.00000
    149       3.5282      0.00000
    150       3.6971      0.00000
    151       3.7557      0.00000
    152       3.7705      0.00000
    153       3.8391      0.00000
    154       3.8807      0.00000
    155       3.9434      0.00000
    156       3.9865      0.00000
    157       4.0264      0.00000
    158       4.0543      0.00000
    159       4.0605      0.00000
    160       4.1217      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1422      1.00000
      2     -22.0469      1.00000
      3     -21.8868      1.00000
      4     -21.3348      1.00000
      5     -20.9819      1.00000
      6     -20.9434      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     -19.8215      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     -17.0638      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     -13.5521      1.00000
     38     -13.5029      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     -11.9516      1.00000
     45     -11.6110      1.00000
     46     -11.5879      1.00000
     47     -11.0857      1.00000
     48     -11.0520      1.00000
     49     -10.7542      1.00000
     50     -10.6640      1.00000
     51     -10.5278      1.00000
     52     -10.1483      1.00000
     53     -10.1388      1.00000
     54     -10.0961      1.00000
     55      -9.9530      1.00000
     56      -9.9479      1.00000
     57      -9.9173      1.00000
     58      -9.7381      1.00000
     59      -9.7309      1.00000
     60      -9.7013      1.00000
     61      -9.6902      1.00000
     62      -9.4305      1.00000
     63      -9.3637      1.00000
     64      -9.0877      1.00000
     65      -9.0064      1.00000
     66      -8.9750      1.00000
     67      -8.8883      1.00000
     68      -8.8113      1.00000
     69      -8.6586      1.00000
     70      -8.6348      1.00000
     71      -8.5804      1.00000
     72      -8.4786      1.00000
     73      -8.4682      1.00000
     74      -8.3984      1.00000
     75      -8.3944      1.00000
     76      -8.1838      1.00000
     77      -8.1154      1.00000
     78      -7.9771      1.00000
     79      -7.9167      1.00000
     80      -7.8466      1.00000
     81      -7.6185      1.00000
     82      -7.5304      1.00000
     83      -7.4692      1.00000
     84      -7.2518      1.00000
     85      -6.9340      1.00000
     86      -6.8577      1.00000
     87      -6.8107      1.00000
     88      -6.5751      1.00000
     89      -6.4676      1.00000
     90      -6.4203      1.00000
     91      -6.3566      1.00000
     92      -6.0528      1.00000
     93      -5.8778      1.00000
     94      -5.7529      1.00000
     95      -5.7217      1.00000
     96      -5.4773      1.00000
     97      -5.3461      1.00000
     98      -5.1802      1.00000
     99      -5.1561      1.00000
    100      -5.1545      1.00000
    101      -4.7079      1.00000
    102      -4.4410      1.00000
    103      -4.2563      1.00000
    104      -3.9961      1.00000
    105      -3.8303      1.00000
    106      -3.1558      1.00000
    107      -2.4632      0.00000
    108      -1.3787      0.00000
    109      -1.2419      0.00000
    110      -1.1455      0.00000
    111      -1.1145      0.00000
    112      -0.5629      0.00000
    113      -0.4345      0.00000
    114      -0.4293      0.00000
    115      -0.3106      0.00000
    116      -0.1891      0.00000
    117       0.0620      0.00000
    118       0.1178      0.00000
    119       0.5400      0.00000
    120       0.6842      0.00000
    121       0.8707      0.00000
    122       0.9672      0.00000
    123       1.1105      0.00000
    124       1.4949      0.00000
    125       1.6613      0.00000
    126       1.8024      0.00000
    127       1.8753      0.00000
    128       2.0922      0.00000
    129       2.1497      0.00000
    130       2.1973      0.00000
    131       2.2160      0.00000
    132       2.3402      0.00000
    133       2.3667      0.00000
    134       2.4880      0.00000
    135       2.5824      0.00000
    136       2.6685      0.00000
    137       2.8790      0.00000
    138       2.9381      0.00000
    139       2.9660      0.00000
    140       3.0000      0.00000
    141       3.0434      0.00000
    142       3.1503      0.00000
    143       3.1874      0.00000
    144       3.2491      0.00000
    145       3.2902      0.00000
    146       3.3326      0.00000
    147       3.3494      0.00000
    148       3.3795      0.00000
    149       3.4142      0.00000
    150       3.4963      0.00000
    151       3.5526      0.00000
    152       3.6344      0.00000
    153       3.6999      0.00000
    154       3.7101      0.00000
    155       3.7296      0.00000
    156       3.9203      0.00000
    157       3.9398      0.00000
    158       4.0578      0.00000
    159       4.0883      0.00000
    160       4.2017      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2480      1.00000
      2     -21.8954      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     -17.6021      1.00000
     19     -17.5707      1.00000
     20     -17.5413      1.00000
     21     -17.5084      1.00000
     22     -17.0748      1.00000
     23     -17.0273      1.00000
     24     -16.9001      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     -14.8143      1.00000
     31     -14.7613      1.00000
     32     -14.5097      1.00000
     33     -14.4677      1.00000
     34     -14.0961      1.00000
     35     -14.0930      1.00000
     36     -13.1055      1.00000
     37     -13.0299      1.00000
     38     -12.9567      1.00000
     39     -12.9493      1.00000
     40     -12.6561      1.00000
     41     -12.6274      1.00000
     42     -12.2743      1.00000
     43     -12.2470      1.00000
     44     -11.5731      1.00000
     45     -11.5533      1.00000
     46     -11.5004      1.00000
     47     -10.8786      1.00000
     48     -10.8686      1.00000
     49     -10.6842      1.00000
     50     -10.5255      1.00000
     51     -10.5201      1.00000
     52     -10.4332      1.00000
     53     -10.4161      1.00000
     54     -10.3703      1.00000
     55     -10.2882      1.00000
     56     -10.0614      1.00000
     57      -9.8320      1.00000
     58      -9.5599      1.00000
     59      -9.4845      1.00000
     60      -9.4458      1.00000
     61      -9.3551      1.00000
     62      -9.3394      1.00000
     63      -9.3079      1.00000
     64      -9.3027      1.00000
     65      -9.2061      1.00000
     66      -9.0991      1.00000
     67      -9.0680      1.00000
     68      -9.0488      1.00000
     69      -8.8532      1.00000
     70      -8.7963      1.00000
     71      -8.7785      1.00000
     72      -8.5270      1.00000
     73      -8.4980      1.00000
     74      -8.2295      1.00000
     75      -8.1290      1.00000
     76      -8.0933      1.00000
     77      -7.8070      1.00000
     78      -7.7674      1.00000
     79      -7.7393      1.00000
     80      -7.7043      1.00000
     81      -7.6362      1.00000
     82      -7.6239      1.00000
     83      -7.3871      1.00000
     84      -7.3438      1.00000
     85      -7.2165      1.00000
     86      -6.8435      1.00000
     87      -6.8201      1.00000
     88      -6.6405      1.00000
     89      -6.5292      1.00000
     90      -6.3417      1.00000
     91      -6.2729      1.00000
     92      -6.1955      1.00000
     93      -6.1313      1.00000
     94      -6.0214      1.00000
     95      -5.6378      1.00000
     96      -5.5084      1.00000
     97      -5.2976      1.00000
     98      -5.1559      1.00000
     99      -5.0401      1.00000
    100      -4.7268      1.00000
    101      -4.6854      1.00000
    102      -4.3682      1.00000
    103      -4.1859      1.00000
    104      -4.0092      1.00000
    105      -3.8298      1.00000
    106      -3.4842      1.00000
    107      -2.1640      0.00000
    108      -1.3831      0.00000
    109      -1.2363      0.00000
    110      -1.1840      0.00000
    111      -1.0137      0.00000
    112      -0.9562      0.00000
    113      -0.7975      0.00000
    114      -0.7519      0.00000
    115      -0.3640      0.00000
    116       0.2450      0.00000
    117       0.2769      0.00000
    118       0.3651      0.00000
    119       0.6996      0.00000
    120       0.8687      0.00000
    121       0.9660      0.00000
    122       1.1261      0.00000
    123       1.2353      0.00000
    124       1.4552      0.00000
    125       1.5548      0.00000
    126       1.7827      0.00000
    127       1.8513      0.00000
    128       1.8855      0.00000
    129       1.9858      0.00000
    130       2.0316      0.00000
    131       2.2008      0.00000
    132       2.2104      0.00000
    133       2.4021      0.00000
    134       2.4634      0.00000
    135       2.5568      0.00000
    136       2.6583      0.00000
    137       2.6851      0.00000
    138       2.7283      0.00000
    139       2.7709      0.00000
    140       2.8545      0.00000
    141       2.9655      0.00000
    142       3.0838      0.00000
    143       3.1944      0.00000
    144       3.2437      0.00000
    145       3.2599      0.00000
    146       3.2990      0.00000
    147       3.3381      0.00000
    148       3.4831      0.00000
    149       3.5091      0.00000
    150       3.7133      0.00000
    151       3.7236      0.00000
    152       3.7702      0.00000
    153       3.8614      0.00000
    154       3.8753      0.00000
    155       3.9015      0.00000
    156       3.9982      0.00000
    157       4.0053      0.00000
    158       4.0592      0.00000
    159       4.0679      0.00000
    160       4.0896      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3200      1.00000
      2     -21.7619      1.00000
      3     -21.5680      1.00000
      4     -21.5407      1.00000
      5     -21.2054      1.00000
      6     -21.1662      1.00000
      7     -20.9859      1.00000
      8     -20.0990      1.00000
      9     -20.0599      1.00000
     10     -19.5468      1.00000
     11     -19.5260      1.00000
     12     -19.3450      1.00000
     13     -19.0287      1.00000
     14     -18.9884      1.00000
     15     -18.9776      1.00000
     16     -18.9715      1.00000
     17     -18.2963      1.00000
     18     -18.2823      1.00000
     19     -17.9464      1.00000
     20     -17.0008      1.00000
     21     -16.9596      1.00000
     22     -16.8829      1.00000
     23     -16.8696      1.00000
     24     -16.4160      1.00000
     25     -16.3935      1.00000
     26     -15.5408      1.00000
     27     -15.5374      1.00000
     28     -15.1724      1.00000
     29     -15.1714      1.00000
     30     -15.1318      1.00000
     31     -15.0371      1.00000
     32     -15.0009      1.00000
     33     -14.6332      1.00000
     34     -14.6265      1.00000
     35     -13.6626      1.00000
     36     -13.6530      1.00000
     37     -13.1715      1.00000
     38     -12.5743      1.00000
     39     -12.5130      1.00000
     40     -12.3859      1.00000
     41     -12.3857      1.00000
     42     -12.0348      1.00000
     43     -12.0311      1.00000
     44     -11.6546      1.00000
     45     -11.6144      1.00000
     46     -11.2077      1.00000
     47     -11.1567      1.00000
     48     -10.9558      1.00000
     49     -10.9425      1.00000
     50     -10.8602      1.00000
     51     -10.8279      1.00000
     52     -10.6265      1.00000
     53     -10.1478      1.00000
     54     -10.0850      1.00000
     55     -10.0258      1.00000
     56      -9.9466      1.00000
     57      -9.6316      1.00000
     58      -9.6292      1.00000
     59      -9.6032      1.00000
     60      -9.5405      1.00000
     61      -9.5035      1.00000
     62      -9.4785      1.00000
     63      -9.2736      1.00000
     64      -9.2357      1.00000
     65      -9.2076      1.00000
     66      -9.1791      1.00000
     67      -9.0624      1.00000
     68      -9.0472      1.00000
     69      -9.0437      1.00000
     70      -8.8772      1.00000
     71      -8.8083      1.00000
     72      -8.5384      1.00000
     73      -8.5320      1.00000
     74      -8.5037      1.00000
     75      -8.0318      1.00000
     76      -7.8315      1.00000
     77      -7.8017      1.00000
     78      -7.7738      1.00000
     79      -7.7042      1.00000
     80      -7.6843      1.00000
     81      -7.4102      1.00000
     82      -7.2891      1.00000
     83      -7.2514      1.00000
     84      -7.2036      1.00000
     85      -7.0822      1.00000
     86      -7.0732      1.00000
     87      -6.9371      1.00000
     88      -6.7122      1.00000
     89      -6.6745      1.00000
     90      -6.6290      1.00000
     91      -6.5568      1.00000
     92      -6.0723      1.00000
     93      -6.0321      1.00000
     94      -6.0010      1.00000
     95      -5.9365      1.00000
     96      -5.8007      1.00000
     97      -5.1822      1.00000
     98      -4.8950      1.00000
     99      -4.7938      1.00000
    100      -4.6108      1.00000
    101      -4.5123      1.00000
    102      -4.1407      1.00000
    103      -4.0921      1.00000
    104      -3.9310      1.00000
    105      -3.9164      1.00000
    106      -3.8289      1.00000
    107      -1.7513      0.00000
    108      -1.6957      0.00000
    109      -1.4097      0.00000
    110      -1.3722      0.00000
    111      -1.2642      0.00000
    112      -1.2356      0.00000
    113      -0.6226      0.00000
    114      -0.5989      0.00000
    115      -0.1898      0.00000
    116       0.0435      0.00000
    117       0.5832      0.00000
    118       0.7408      0.00000
    119       0.8503      0.00000
    120       0.9279      0.00000
    121       1.1679      0.00000
    122       1.2109      0.00000
    123       1.2464      0.00000
    124       1.4188      0.00000
    125       1.5987      0.00000
    126       1.6384      0.00000
    127       1.7038      0.00000
    128       1.8086      0.00000
    129       1.9238      0.00000
    130       1.9402      0.00000
    131       2.1491      0.00000
    132       2.1721      0.00000
    133       2.2617      0.00000
    134       2.3015      0.00000
    135       2.5419      0.00000
    136       2.5581      0.00000
    137       2.6438      0.00000
    138       2.7606      0.00000
    139       2.8148      0.00000
    140       2.8517      0.00000
    141       2.8941      0.00000
    142       2.9472      0.00000
    143       3.0145      0.00000
    144       3.0277      0.00000
    145       3.0874      0.00000
    146       3.3134      0.00000
    147       3.3753      0.00000
    148       3.4239      0.00000
    149       3.4814      0.00000
    150       3.6111      0.00000
    151       3.6590      0.00000
    152       3.6721      0.00000
    153       3.6814      0.00000
    154       3.8933      0.00000
    155       3.9819      0.00000
    156       4.0282      0.00000
    157       4.0734      0.00000
    158       4.2399      0.00000
    159       4.2586      0.00000
    160       4.2678      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1412      1.00000
      2     -22.0484      1.00000
      3     -21.8862      1.00000
      4     -21.3357      1.00000
      5     -20.9770      1.00000
      6     -20.9474      1.00000
      7     -20.4284      1.00000
      8     -20.3962      1.00000
      9     -20.2166      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     -18.2656      1.00000
     16     -18.2524      1.00000
     17     -18.0807      1.00000
     18     -18.0735      1.00000
     19     -17.7457      1.00000
     20     -17.7308      1.00000
     21     -17.1955      1.00000
     22     -17.1714      1.00000
     23     -17.0887      1.00000
     24     -17.0680      1.00000
     25     -16.0549      1.00000
     26     -15.8085      1.00000
     27     -15.7989      1.00000
     28     -15.7778      1.00000
     29     -15.1590      1.00000
     30     -14.4857      1.00000
     31     -14.4642      1.00000
     32     -14.2039      1.00000
     33     -13.9177      1.00000
     34     -13.8869      1.00000
     35     -13.7597      1.00000
     36     -13.7388      1.00000
     37     -13.5358      1.00000
     38     -13.5107      1.00000
     39     -13.3018      1.00000
     40     -12.5774      1.00000
     41     -12.1006      1.00000
     42     -12.0775      1.00000
     43     -11.9982      1.00000
     44     -11.9510      1.00000
     45     -11.6066      1.00000
     46     -11.5985      1.00000
     47     -11.0854      1.00000
     48     -11.0607      1.00000
     49     -10.7319      1.00000
     50     -10.6645      1.00000
     51     -10.5610      1.00000
     52     -10.1401      1.00000
     53     -10.1358      1.00000
     54     -10.1010      1.00000
     55      -9.9667      1.00000
     56      -9.9254      1.00000
     57      -9.9217      1.00000
     58      -9.7521      1.00000
     59      -9.7294      1.00000
     60      -9.6976      1.00000
     61      -9.6946      1.00000
     62      -9.4023      1.00000
     63      -9.3889      1.00000
     64      -9.0705      1.00000
     65      -8.9829      1.00000
     66      -8.9815      1.00000
     67      -8.9055      1.00000
     68      -8.8119      1.00000
     69      -8.6506      1.00000
     70      -8.6338      1.00000
     71      -8.5507      1.00000
     72      -8.5015      1.00000
     73      -8.4824      1.00000
     74      -8.3939      1.00000
     75      -8.3829      1.00000
     76      -8.2100      1.00000
     77      -8.1031      1.00000
     78      -8.0070      1.00000
     79      -7.9028      1.00000
     80      -7.8448      1.00000
     81      -7.6217      1.00000
     82      -7.5335      1.00000
     83      -7.4559      1.00000
     84      -7.2491      1.00000
     85      -6.9443      1.00000
     86      -6.8692      1.00000
     87      -6.8104      1.00000
     88      -6.4780      1.00000
     89      -6.4676      1.00000
     90      -6.4093      1.00000
     91      -6.3599      1.00000
     92      -6.1918      1.00000
     93      -5.8582      1.00000
     94      -5.7377      1.00000
     95      -5.7110      1.00000
     96      -5.5238      1.00000
     97      -5.3295      1.00000
     98      -5.1720      1.00000
     99      -5.1676      1.00000
    100      -5.1340      1.00000
    101      -4.6958      1.00000
    102      -4.3486      1.00000
    103      -4.2817      1.00000
    104      -4.0294      1.00000
    105      -3.8313      1.00000
    106      -3.2335      1.00000
    107      -2.4045      0.00000
    108      -1.3450      0.00000
    109      -1.2446      0.00000
    110      -1.1523      0.00000
    111      -1.1083      0.00000
    112      -0.5819      0.00000
    113      -0.5223      0.00000
    114      -0.4337      0.00000
    115      -0.2745      0.00000
    116      -0.0699      0.00000
    117      -0.0108      0.00000
    118       0.0601      0.00000
    119       0.5835      0.00000
    120       0.7109      0.00000
    121       0.8094      0.00000
    122       0.9432      0.00000
    123       1.1824      0.00000
    124       1.5084      0.00000
    125       1.6199      0.00000
    126       1.8593      0.00000
    127       2.0039      0.00000
    128       2.0505      0.00000
    129       2.1125      0.00000
    130       2.1587      0.00000
    131       2.2707      0.00000
    132       2.2862      0.00000
    133       2.3508      0.00000
    134       2.4642      0.00000
    135       2.6116      0.00000
    136       2.7003      0.00000
    137       2.8183      0.00000
    138       2.9150      0.00000
    139       2.9427      0.00000
    140       3.0194      0.00000
    141       3.0517      0.00000
    142       3.1562      0.00000
    143       3.1692      0.00000
    144       3.2298      0.00000
    145       3.2990      0.00000
    146       3.3110      0.00000
    147       3.3528      0.00000
    148       3.3728      0.00000
    149       3.4160      0.00000
    150       3.4476      0.00000
    151       3.5643      0.00000
    152       3.6130      0.00000
    153       3.7089      0.00000
    154       3.7303      0.00000
    155       3.8465      0.00000
    156       3.9079      0.00000
    157       3.9311      0.00000
    158       3.9624      0.00000
    159       4.1462      0.00000
    160       4.1812      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     -21.6467      1.00000
      4     -21.6153      1.00000
      5     -20.9104      1.00000
      6     -20.8694      1.00000
      7     -20.5397      1.00000
      8     -20.5070      1.00000
      9     -20.5001      1.00000
     10     -19.9628      1.00000
     11     -19.4417      1.00000
     12     -19.4188      1.00000
     13     -19.2404      1.00000
     14     -19.2330      1.00000
     15     -18.3766      1.00000
     16     -18.3413      1.00000
     17     -17.8595      1.00000
     18     -17.8428      1.00000
     19     -17.6918      1.00000
     20     -17.6556      1.00000
     21     -17.3728      1.00000
     22     -17.3581      1.00000
     23     -17.2674      1.00000
     24     -16.4137      1.00000
     25     -16.3903      1.00000
     26     -15.9055      1.00000
     27     -15.3436      1.00000
     28     -15.3388      1.00000
     29     -15.0311      1.00000
     30     -15.0216      1.00000
     31     -14.7760      1.00000
     32     -14.7744      1.00000
     33     -14.2388      1.00000
     34     -14.1870      1.00000
     35     -13.3889      1.00000
     36     -13.3334      1.00000
     37     -13.1111      1.00000
     38     -13.1032      1.00000
     39     -12.9187      1.00000
     40     -12.9127      1.00000
     41     -12.5452      1.00000
     42     -12.5378      1.00000
     43     -12.1342      1.00000
     44     -11.5135      1.00000
     45     -11.4692      1.00000
     46     -11.2446      1.00000
     47     -11.2130      1.00000
     48     -11.0874      1.00000
     49     -10.7086      1.00000
     50     -10.5952      1.00000
     51     -10.5097      1.00000
     52     -10.2519      1.00000
     53     -10.2480      1.00000
     54     -10.1218      1.00000
     55     -10.0538      1.00000
     56     -10.0395      1.00000
     57      -9.7860      1.00000
     58      -9.6876      1.00000
     59      -9.6741      1.00000
     60      -9.6381      1.00000
     61      -9.6283      1.00000
     62      -9.5859      1.00000
     63      -9.2962      1.00000
     64      -9.2841      1.00000
     65      -9.2527      1.00000
     66      -9.0677      1.00000
     67      -8.8947      1.00000
     68      -8.8844      1.00000
     69      -8.7187      1.00000
     70      -8.5834      1.00000
     71      -8.5259      1.00000
     72      -8.3512      1.00000
     73      -8.3047      1.00000
     74      -8.2428      1.00000
     75      -8.2383      1.00000
     76      -8.1939      1.00000
     77      -8.1819      1.00000
     78      -8.1694      1.00000
     79      -8.1113      1.00000
     80      -7.6905      1.00000
     81      -7.4148      1.00000
     82      -7.3456      1.00000
     83      -7.2581      1.00000
     84      -7.1695      1.00000
     85      -7.1112      1.00000
     86      -7.0033      1.00000
     87      -6.9041      1.00000
     88      -6.8467      1.00000
     89      -6.5411      1.00000
     90      -6.4995      1.00000
     91      -6.2141      1.00000
     92      -6.2009      1.00000
     93      -5.8945      1.00000
     94      -5.6738      1.00000
     95      -5.6088      1.00000
     96      -5.5803      1.00000
     97      -5.2531      1.00000
     98      -5.2314      1.00000
     99      -5.1648      1.00000
    100      -5.1346      1.00000
    101      -4.5994      1.00000
    102      -4.2516      1.00000
    103      -4.0459      1.00000
    104      -3.8849      1.00000
    105      -3.8430      1.00000
    106      -3.8014      1.00000
    107      -1.8070      0.00000
    108      -1.7802      0.00000
    109      -1.2249      0.00000
    110      -1.1764      0.00000
    111      -0.9736      0.00000
    112      -0.7338      0.00000
    113      -0.6507      0.00000
    114      -0.5937      0.00000
    115      -0.5494      0.00000
    116      -0.1505      0.00000
    117       0.1757      0.00000
    118       0.2883      0.00000
    119       0.7048      0.00000
    120       0.9485      0.00000
    121       1.1689      0.00000
    122       1.2782      0.00000
    123       1.3458      0.00000
    124       1.5109      0.00000
    125       1.6073      0.00000
    126       1.6276      0.00000
    127       1.6919      0.00000
    128       1.7741      0.00000
    129       1.8624      0.00000
    130       2.0825      0.00000
    131       2.1671      0.00000
    132       2.3240      0.00000
    133       2.3924      0.00000
    134       2.4255      0.00000
    135       2.5552      0.00000
    136       2.6235      0.00000
    137       2.6885      0.00000
    138       2.7523      0.00000
    139       2.8217      0.00000
    140       2.9104      0.00000
    141       3.0555      0.00000
    142       3.0605      0.00000
    143       3.1833      0.00000
    144       3.2814      0.00000
    145       3.3783      0.00000
    146       3.4145      0.00000
    147       3.4602      0.00000
    148       3.5500      0.00000
    149       3.5771      0.00000
    150       3.6343      0.00000
    151       3.6637      0.00000
    152       3.7016      0.00000
    153       3.7913      0.00000
    154       3.8051      0.00000
    155       3.8239      0.00000
    156       3.8928      0.00000
    157       3.9109      0.00000
    158       3.9804      0.00000
    159       4.1902      0.00000
    160       4.2340      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     -21.5370      1.00000
      3     -21.4072      1.00000
      4     -21.4061      1.00000
      5     -21.3750      1.00000
      6     -21.3658      1.00000
      7     -21.3586      1.00000
      8     -19.6470      1.00000
      9     -19.5720      1.00000
     10     -19.5649      1.00000
     11     -19.5583      1.00000
     12     -19.5405      1.00000
     13     -19.5378      1.00000
     14     -18.7286      1.00000
     15     -18.6795      1.00000
     16     -18.6720      1.00000
     17     -18.6583      1.00000
     18     -18.6432      1.00000
     19     -18.6420      1.00000
     20     -16.5865      1.00000
     21     -16.5261      1.00000
     22     -16.5238      1.00000
     23     -16.5116      1.00000
     24     -16.4868      1.00000
     25     -16.4851      1.00000
     26     -15.5599      1.00000
     27     -15.5265      1.00000
     28     -15.5256      1.00000
     29     -15.4991      1.00000
     30     -15.4946      1.00000
     31     -15.4886      1.00000
     32     -14.2069      1.00000
     33     -14.1799      1.00000
     34     -14.1677      1.00000
     35     -14.1648      1.00000
     36     -14.1597      1.00000
     37     -14.1490      1.00000
     38     -11.8857      1.00000
     39     -11.8089      1.00000
     40     -11.7920      1.00000
     41     -11.7916      1.00000
     42     -11.7883      1.00000
     43     -11.7822      1.00000
     44     -11.7046      1.00000
     45     -11.6985      1.00000
     46     -11.6726      1.00000
     47     -11.6577      1.00000
     48     -11.6576      1.00000
     49     -11.6508      1.00000
     50     -10.6755      1.00000
     51     -10.3293      1.00000
     52     -10.3208      1.00000
     53     -10.3053      1.00000
     54     -10.3047      1.00000
     55     -10.2910      1.00000
     56     -10.2779      1.00000
     57      -9.9293      1.00000
     58      -9.3731      1.00000
     59      -9.3593      1.00000
     60      -9.3002      1.00000
     61      -9.2919      1.00000
     62      -9.2852      1.00000
     63      -9.0938      1.00000
     64      -9.0540      1.00000
     65      -9.0497      1.00000
     66      -9.0258      1.00000
     67      -9.0076      1.00000
     68      -9.0021      1.00000
     69      -9.0011      1.00000
     70      -8.9945      1.00000
     71      -8.9921      1.00000
     72      -8.9711      1.00000
     73      -8.9640      1.00000
     74      -8.9548      1.00000
     75      -8.5049      1.00000
     76      -7.5120      1.00000
     77      -7.4122      1.00000
     78      -7.4098      1.00000
     79      -7.4007      1.00000
     80      -7.3833      1.00000
     81      -7.3646      1.00000
     82      -7.3402      1.00000
     83      -7.3094      1.00000
     84      -7.2699      1.00000
     85      -7.2059      1.00000
     86      -7.1801      1.00000
     87      -7.1798      1.00000
     88      -7.0724      1.00000
     89      -6.5092      1.00000
     90      -6.4614      1.00000
     91      -6.3550      1.00000
     92      -6.2930      1.00000
     93      -6.2880      1.00000
     94      -6.2863      1.00000
     95      -5.8979      1.00000
     96      -5.8839      1.00000
     97      -5.0501      1.00000
     98      -4.9363      1.00000
     99      -4.5391      1.00000
    100      -4.3413      1.00000
    101      -4.3180      1.00000
    102      -4.3170      1.00000
    103      -4.1158      1.00000
    104      -3.9125      1.00000
    105      -3.9012      1.00000
    106      -3.8351      1.00000
    107      -1.6818      0.00000
    108      -1.6695      0.00000
    109      -1.5356      0.00000
    110      -1.5349      0.00000
    111      -1.5221      0.00000
    112      -1.5087      0.00000
    113      -0.5840      0.00000
    114       0.1330      0.00000
    115       0.2067      0.00000
    116       0.3249      0.00000
    117       0.3268      0.00000
    118       0.3339      0.00000
    119       0.4970      0.00000
    120       0.5949      0.00000
    121       1.2593      0.00000
    122       1.2733      0.00000
    123       1.5264      0.00000
    124       1.7997      0.00000
    125       1.8030      0.00000
    126       1.8061      0.00000
    127       1.8109      0.00000
    128       1.9451      0.00000
    129       1.9787      0.00000
    130       2.0321      0.00000
    131       2.0461      0.00000
    132       2.0513      0.00000
    133       2.0550      0.00000
    134       2.0593      0.00000
    135       2.3054      0.00000
    136       2.3265      0.00000
    137       2.6113      0.00000
    138       2.6183      0.00000
    139       2.6468      0.00000
    140       2.7294      0.00000
    141       2.8612      0.00000
    142       3.0307      0.00000
    143       3.0573      0.00000
    144       3.0938      0.00000
    145       3.1022      0.00000
    146       3.1068      0.00000
    147       3.1103      0.00000
    148       3.2333      0.00000
    149       3.4527      0.00000
    150       3.5400      0.00000
    151       3.7901      0.00000
    152       3.9475      0.00000
    153       3.9538      0.00000
    154       3.9598      0.00000
    155       3.9662      0.00000
    156       3.9986      0.00000
    157       4.1828      0.00000
    158       4.2677      0.00000
    159       4.2873      0.00000
    160       4.2883      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     -21.5708      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     -17.0099      1.00000
     21     -16.9596      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     -13.6520      1.00000
     37     -13.1695      1.00000
     38     -12.5514      1.00000
     39     -12.5173      1.00000
     40     -12.3911      1.00000
     41     -12.3779      1.00000
     42     -12.0577      1.00000
     43     -12.0345      1.00000
     44     -11.6596      1.00000
     45     -11.6174      1.00000
     46     -11.1812      1.00000
     47     -11.1564      1.00000
     48     -10.9654      1.00000
     49     -10.9406      1.00000
     50     -10.8742      1.00000
     51     -10.8373      1.00000
     52     -10.6038      1.00000
     53     -10.0938      1.00000
     54     -10.0884      1.00000
     55     -10.0467      1.00000
     56      -9.9713      1.00000
     57      -9.6548      1.00000
     58      -9.6291      1.00000
     59      -9.5922      1.00000
     60      -9.5297      1.00000
     61      -9.5110      1.00000
     62      -9.4788      1.00000
     63      -9.2651      1.00000
     64      -9.2411      1.00000
     65      -9.2211      1.00000
     66      -9.1664      1.00000
     67      -9.0685      1.00000
     68      -9.0467      1.00000
     69      -9.0409      1.00000
     70      -8.8831      1.00000
     71      -8.8066      1.00000
     72      -8.5795      1.00000
     73      -8.5227      1.00000
     74      -8.4638      1.00000
     75      -8.0349      1.00000
     76      -7.8122      1.00000
     77      -7.8071      1.00000
     78      -7.7931      1.00000
     79      -7.7004      1.00000
     80      -7.6904      1.00000
     81      -7.3608      1.00000
     82      -7.2740      1.00000
     83      -7.2647      1.00000
     84      -7.2147      1.00000
     85      -7.1722      1.00000
     86      -7.0083      1.00000
     87      -6.9476      1.00000
     88      -6.7472      1.00000
     89      -6.6724      1.00000
     90      -6.5937      1.00000
     91      -6.5591      1.00000
     92      -6.0505      1.00000
     93      -6.0474      1.00000
     94      -6.0218      1.00000
     95      -5.9588      1.00000
     96      -5.7364      1.00000
     97      -5.1573      1.00000
     98      -4.9895      1.00000
     99      -4.7187      1.00000
    100      -4.6110      1.00000
    101      -4.4405      1.00000
    102      -4.3740      1.00000
    103      -4.1224      1.00000
    104      -3.8682      1.00000
    105      -3.8349      1.00000
    106      -3.7904      1.00000
    107      -1.7860      0.00000
    108      -1.7385      0.00000
    109      -1.3942      0.00000
    110      -1.3465      0.00000
    111      -1.2637      0.00000
    112      -1.2253      0.00000
    113      -0.7445      0.00000
    114      -0.3783      0.00000
    115      -0.2207      0.00000
    116      -0.0174      0.00000
    117       0.5896      0.00000
    118       0.7363      0.00000
    119       0.7640      0.00000
    120       1.0497      0.00000
    121       1.1418      0.00000
    122       1.2503      0.00000
    123       1.2716      0.00000
    124       1.4142      0.00000
    125       1.4788      0.00000
    126       1.5851      0.00000
    127       1.7586      0.00000
    128       1.8411      0.00000
    129       1.8973      0.00000
    130       1.9589      0.00000
    131       2.1075      0.00000
    132       2.2342      0.00000
    133       2.2494      0.00000
    134       2.2958      0.00000
    135       2.4891      0.00000
    136       2.6157      0.00000
    137       2.6414      0.00000
    138       2.7663      0.00000
    139       2.8036      0.00000
    140       2.8598      0.00000
    141       2.8702      0.00000
    142       2.8936      0.00000
    143       2.9620      0.00000
    144       3.0817      0.00000
    145       3.2822      0.00000
    146       3.3086      0.00000
    147       3.3807      0.00000
    148       3.4123      0.00000
    149       3.4694      0.00000
    150       3.5914      0.00000
    151       3.6418      0.00000
    152       3.6724      0.00000
    153       3.7105      0.00000
    154       3.9086      0.00000
    155       3.9440      0.00000
    156       3.9828      0.00000
    157       4.0861      0.00000
    158       4.2052      0.00000
    159       4.2478      0.00000
    160       4.2990      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     -21.6495      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     -19.4428      1.00000
     12     -19.4154      1.00000
     13     -19.2416      1.00000
     14     -19.2273      1.00000
     15     -18.3843      1.00000
     16     -18.3399      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     -13.3713      1.00000
     36     -13.3369      1.00000
     37     -13.1202      1.00000
     38     -13.1025      1.00000
     39     -12.9164      1.00000
     40     -12.9028      1.00000
     41     -12.5570      1.00000
     42     -12.5389      1.00000
     43     -12.1332      1.00000
     44     -11.5226      1.00000
     45     -11.4743      1.00000
     46     -11.2542      1.00000
     47     -11.2200      1.00000
     48     -11.0796      1.00000
     49     -10.6608      1.00000
     50     -10.5888      1.00000
     51     -10.5242      1.00000
     52     -10.2575      1.00000
     53     -10.2493      1.00000
     54     -10.1232      1.00000
     55     -10.0486      1.00000
     56     -10.0414      1.00000
     57      -9.7707      1.00000
     58      -9.7049      1.00000
     59      -9.6802      1.00000
     60      -9.6307      1.00000
     61      -9.6261      1.00000
     62      -9.5879      1.00000
     63      -9.2948      1.00000
     64      -9.2852      1.00000
     65      -9.2537      1.00000
     66      -9.0904      1.00000
     67      -8.8968      1.00000
     68      -8.8839      1.00000
     69      -8.7249      1.00000
     70      -8.5906      1.00000
     71      -8.5145      1.00000
     72      -8.3311      1.00000
     73      -8.3028      1.00000
     74      -8.2647      1.00000
     75      -8.2331      1.00000
     76      -8.1947      1.00000
     77      -8.1864      1.00000
     78      -8.1708      1.00000
     79      -8.1048      1.00000
     80      -7.6888      1.00000
     81      -7.3541      1.00000
     82      -7.3101      1.00000
     83      -7.2635      1.00000
     84      -7.1871      1.00000
     85      -7.1243      1.00000
     86      -7.0768      1.00000
     87      -6.9071      1.00000
     88      -6.8823      1.00000
     89      -6.5498      1.00000
     90      -6.4922      1.00000
     91      -6.2101      1.00000
     92      -6.0702      1.00000
     93      -5.9423      1.00000
     94      -5.7157      1.00000
     95      -5.6329      1.00000
     96      -5.4523      1.00000
     97      -5.3052      1.00000
     98      -5.2340      1.00000
     99      -5.1521      1.00000
    100      -5.1515      1.00000
    101      -4.5238      1.00000
    102      -4.4707      1.00000
    103      -4.1432      1.00000
    104      -3.8381      1.00000
    105      -3.7572      1.00000
    106      -3.6794      1.00000
    107      -1.8715      0.00000
    108      -1.8240      0.00000
    109      -1.2767      0.00000
    110      -1.0367      0.00000
    111      -1.0110      0.00000
    112      -0.7121      0.00000
    113      -0.6401      0.00000
    114      -0.5880      0.00000
    115      -0.5455      0.00000
    116      -0.2009      0.00000
    117       0.2524      0.00000
    118       0.2791      0.00000
    119       0.7597      0.00000
    120       0.9448      0.00000
    121       1.1320      0.00000
    122       1.2261      0.00000
    123       1.3204      0.00000
    124       1.4119      0.00000
    125       1.6004      0.00000
    126       1.6334      0.00000
    127       1.7003      0.00000
    128       1.8249      0.00000
    129       1.9191      0.00000
    130       2.0115      0.00000
    131       2.1151      0.00000
    132       2.3337      0.00000
    133       2.3961      0.00000
    134       2.4322      0.00000
    135       2.5411      0.00000
    136       2.6345      0.00000
    137       2.7621      0.00000
    138       2.8275      0.00000
    139       2.8326      0.00000
    140       2.8904      0.00000
    141       3.0466      0.00000
    142       3.0898      0.00000
    143       3.1860      0.00000
    144       3.2398      0.00000
    145       3.3885      0.00000
    146       3.4226      0.00000
    147       3.4835      0.00000
    148       3.5783      0.00000
    149       3.6026      0.00000
    150       3.6277      0.00000
    151       3.6514      0.00000
    152       3.7428      0.00000
    153       3.7736      0.00000
    154       3.7886      0.00000
    155       3.8140      0.00000
    156       3.8970      0.00000
    157       3.9774      0.00000
    158       4.0100      0.00000
    159       4.1773      0.00000
    160       4.2421      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     -21.8232      1.00000
      4     -21.3119      1.00000
      5     -21.2815      1.00000
      6     -20.7705      1.00000
      7     -20.7047      1.00000
      8     -20.5563      1.00000
      9     -20.0093      1.00000
     10     -20.0012      1.00000
     11     -19.6480      1.00000
     12     -19.6235      1.00000
     13     -18.9299      1.00000
     14     -18.9207      1.00000
     15     -18.5702      1.00000
     16     -18.5571      1.00000
     17     -18.3938      1.00000
     18     -17.6153      1.00000
     19     -17.5585      1.00000
     20     -17.5533      1.00000
     21     -17.5119      1.00000
     22     -17.0554      1.00000
     23     -17.0385      1.00000
     24     -16.8911      1.00000
     25     -15.9293      1.00000
     26     -15.8681      1.00000
     27     -15.5158      1.00000
     28     -15.5157      1.00000
     29     -15.2289      1.00000
     30     -14.7940      1.00000
     31     -14.7674      1.00000
     32     -14.5152      1.00000
     33     -14.4709      1.00000
     34     -14.1023      1.00000
     35     -14.0907      1.00000
     36     -13.0758      1.00000
     37     -13.0325      1.00000
     38     -12.9670      1.00000
     39     -12.9544      1.00000
     40     -12.6455      1.00000
     41     -12.6380      1.00000
     42     -12.2743      1.00000
     43     -12.2427      1.00000
     44     -11.5883      1.00000
     45     -11.5609      1.00000
     46     -11.5070      1.00000
     47     -10.9056      1.00000
     48     -10.8510      1.00000
     49     -10.6232      1.00000
     50     -10.5582      1.00000
     51     -10.4846      1.00000
     52     -10.4337      1.00000
     53     -10.4238      1.00000
     54     -10.3703      1.00000
     55     -10.2932      1.00000
     56     -10.0660      1.00000
     57      -9.8332      1.00000
     58      -9.5475      1.00000
     59      -9.4879      1.00000
     60      -9.4728      1.00000
     61      -9.3463      1.00000
     62      -9.3308      1.00000
     63      -9.3099      1.00000
     64      -9.3079      1.00000
     65      -9.2143      1.00000
     66      -9.1128      1.00000
     67      -9.0808      1.00000
     68      -9.0504      1.00000
     69      -8.8498      1.00000
     70      -8.7927      1.00000
     71      -8.7747      1.00000
     72      -8.5271      1.00000
     73      -8.4764      1.00000
     74      -8.2245      1.00000
     75      -8.1113      1.00000
     76      -8.0992      1.00000
     77      -7.8078      1.00000
     78      -7.7825      1.00000
     79      -7.7814      1.00000
     80      -7.6744      1.00000
     81      -7.6309      1.00000
     82      -7.6308      1.00000
     83      -7.3994      1.00000
     84      -7.3246      1.00000
     85      -7.1967      1.00000
     86      -6.8402      1.00000
     87      -6.8287      1.00000
     88      -6.6622      1.00000
     89      -6.5387      1.00000
     90      -6.3437      1.00000
     91      -6.3071      1.00000
     92      -6.1844      1.00000
     93      -6.1483      1.00000
     94      -5.9774      1.00000
     95      -5.5721      1.00000
     96      -5.4260      1.00000
     97      -5.2585      1.00000
     98      -5.2515      1.00000
     99      -5.1490      1.00000
    100      -4.6955      1.00000
    101      -4.6652      1.00000
    102      -4.3493      1.00000
    103      -4.3163      1.00000
    104      -3.9646      1.00000
    105      -3.8315      1.00000
    106      -3.3890      1.00000
    107      -2.2208      0.00000
    108      -1.3777      0.00000
    109      -1.2866      0.00000
    110      -1.1727      0.00000
    111      -1.0774      0.00000
    112      -0.8929      0.00000
    113      -0.7674      0.00000
    114      -0.7572      0.00000
    115      -0.2164      0.00000
    116       0.1126      0.00000
    117       0.2638      0.00000
    118       0.3463      0.00000
    119       0.7334      0.00000
    120       0.9040      0.00000
    121       0.9716      0.00000
    122       1.0941      0.00000
    123       1.2077      0.00000
    124       1.5292      0.00000
    125       1.5626      0.00000
    126       1.7152      0.00000
    127       1.8388      0.00000
    128       1.8625      0.00000
    129       1.9730      0.00000
    130       1.9972      0.00000
    131       2.1633      0.00000
    132       2.2676      0.00000
    133       2.4558      0.00000
    134       2.4735      0.00000
    135       2.5120      0.00000
    136       2.6662      0.00000
    137       2.6861      0.00000
    138       2.7316      0.00000
    139       2.7469      0.00000
    140       2.8938      0.00000
    141       3.0221      0.00000
    142       3.0856      0.00000
    143       3.1985      0.00000
    144       3.2593      0.00000
    145       3.2628      0.00000
    146       3.2712      0.00000
    147       3.3636      0.00000
    148       3.4847      0.00000
    149       3.5282      0.00000
    150       3.6971      0.00000
    151       3.7557      0.00000
    152       3.7705      0.00000
    153       3.8391      0.00000
    154       3.8807      0.00000
    155       3.9434      0.00000
    156       3.9865      0.00000
    157       4.0264      0.00000
    158       4.0543      0.00000
    159       4.0605      0.00000
    160       4.1215      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1422      1.00000
      2     -22.0469      1.00000
      3     -21.8868      1.00000
      4     -21.3348      1.00000
      5     -20.9819      1.00000
      6     -20.9434      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     -19.8215      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     -17.0638      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     -13.5521      1.00000
     38     -13.5029      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     -11.9516      1.00000
     45     -11.6110      1.00000
     46     -11.5879      1.00000
     47     -11.0857      1.00000
     48     -11.0520      1.00000
     49     -10.7542      1.00000
     50     -10.6640      1.00000
     51     -10.5278      1.00000
     52     -10.1483      1.00000
     53     -10.1388      1.00000
     54     -10.0961      1.00000
     55      -9.9530      1.00000
     56      -9.9479      1.00000
     57      -9.9173      1.00000
     58      -9.7381      1.00000
     59      -9.7309      1.00000
     60      -9.7013      1.00000
     61      -9.6902      1.00000
     62      -9.4305      1.00000
     63      -9.3637      1.00000
     64      -9.0877      1.00000
     65      -9.0064      1.00000
     66      -8.9750      1.00000
     67      -8.8883      1.00000
     68      -8.8113      1.00000
     69      -8.6586      1.00000
     70      -8.6348      1.00000
     71      -8.5804      1.00000
     72      -8.4786      1.00000
     73      -8.4682      1.00000
     74      -8.3984      1.00000
     75      -8.3944      1.00000
     76      -8.1838      1.00000
     77      -8.1154      1.00000
     78      -7.9771      1.00000
     79      -7.9167      1.00000
     80      -7.8466      1.00000
     81      -7.6185      1.00000
     82      -7.5304      1.00000
     83      -7.4692      1.00000
     84      -7.2518      1.00000
     85      -6.9340      1.00000
     86      -6.8577      1.00000
     87      -6.8107      1.00000
     88      -6.5751      1.00000
     89      -6.4676      1.00000
     90      -6.4203      1.00000
     91      -6.3566      1.00000
     92      -6.0528      1.00000
     93      -5.8778      1.00000
     94      -5.7529      1.00000
     95      -5.7217      1.00000
     96      -5.4773      1.00000
     97      -5.3461      1.00000
     98      -5.1802      1.00000
     99      -5.1561      1.00000
    100      -5.1545      1.00000
    101      -4.7079      1.00000
    102      -4.4410      1.00000
    103      -4.2563      1.00000
    104      -3.9961      1.00000
    105      -3.8303      1.00000
    106      -3.1558      1.00000
    107      -2.4632      0.00000
    108      -1.3787      0.00000
    109      -1.2419      0.00000
    110      -1.1455      0.00000
    111      -1.1145      0.00000
    112      -0.5629      0.00000
    113      -0.4345      0.00000
    114      -0.4293      0.00000
    115      -0.3106      0.00000
    116      -0.1891      0.00000
    117       0.0620      0.00000
    118       0.1178      0.00000
    119       0.5400      0.00000
    120       0.6842      0.00000
    121       0.8707      0.00000
    122       0.9672      0.00000
    123       1.1105      0.00000
    124       1.4949      0.00000
    125       1.6613      0.00000
    126       1.8024      0.00000
    127       1.8753      0.00000
    128       2.0922      0.00000
    129       2.1497      0.00000
    130       2.1973      0.00000
    131       2.2160      0.00000
    132       2.3402      0.00000
    133       2.3667      0.00000
    134       2.4880      0.00000
    135       2.5824      0.00000
    136       2.6685      0.00000
    137       2.8790      0.00000
    138       2.9381      0.00000
    139       2.9660      0.00000
    140       3.0000      0.00000
    141       3.0434      0.00000
    142       3.1503      0.00000
    143       3.1874      0.00000
    144       3.2491      0.00000
    145       3.2902      0.00000
    146       3.3326      0.00000
    147       3.3494      0.00000
    148       3.3795      0.00000
    149       3.4142      0.00000
    150       3.4963      0.00000
    151       3.5526      0.00000
    152       3.6344      0.00000
    153       3.6999      0.00000
    154       3.7101      0.00000
    155       3.7296      0.00000
    156       3.9203      0.00000
    157       3.9398      0.00000
    158       4.0578      0.00000
    159       4.0883      0.00000
    160       4.2017      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2480      1.00000
      2     -21.8954      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     -17.6021      1.00000
     19     -17.5707      1.00000
     20     -17.5413      1.00000
     21     -17.5084      1.00000
     22     -17.0748      1.00000
     23     -17.0273      1.00000
     24     -16.9001      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     -14.8143      1.00000
     31     -14.7613      1.00000
     32     -14.5097      1.00000
     33     -14.4677      1.00000
     34     -14.0961      1.00000
     35     -14.0930      1.00000
     36     -13.1055      1.00000
     37     -13.0299      1.00000
     38     -12.9567      1.00000
     39     -12.9493      1.00000
     40     -12.6561      1.00000
     41     -12.6274      1.00000
     42     -12.2743      1.00000
     43     -12.2470      1.00000
     44     -11.5731      1.00000
     45     -11.5533      1.00000
     46     -11.5004      1.00000
     47     -10.8786      1.00000
     48     -10.8686      1.00000
     49     -10.6842      1.00000
     50     -10.5255      1.00000
     51     -10.5201      1.00000
     52     -10.4332      1.00000
     53     -10.4161      1.00000
     54     -10.3703      1.00000
     55     -10.2882      1.00000
     56     -10.0614      1.00000
     57      -9.8320      1.00000
     58      -9.5599      1.00000
     59      -9.4845      1.00000
     60      -9.4458      1.00000
     61      -9.3551      1.00000
     62      -9.3394      1.00000
     63      -9.3079      1.00000
     64      -9.3027      1.00000
     65      -9.2061      1.00000
     66      -9.0991      1.00000
     67      -9.0680      1.00000
     68      -9.0488      1.00000
     69      -8.8532      1.00000
     70      -8.7963      1.00000
     71      -8.7785      1.00000
     72      -8.5270      1.00000
     73      -8.4980      1.00000
     74      -8.2295      1.00000
     75      -8.1290      1.00000
     76      -8.0933      1.00000
     77      -7.8070      1.00000
     78      -7.7674      1.00000
     79      -7.7393      1.00000
     80      -7.7043      1.00000
     81      -7.6362      1.00000
     82      -7.6239      1.00000
     83      -7.3871      1.00000
     84      -7.3438      1.00000
     85      -7.2165      1.00000
     86      -6.8435      1.00000
     87      -6.8201      1.00000
     88      -6.6405      1.00000
     89      -6.5292      1.00000
     90      -6.3417      1.00000
     91      -6.2729      1.00000
     92      -6.1955      1.00000
     93      -6.1313      1.00000
     94      -6.0214      1.00000
     95      -5.6378      1.00000
     96      -5.5084      1.00000
     97      -5.2976      1.00000
     98      -5.1559      1.00000
     99      -5.0401      1.00000
    100      -4.7268      1.00000
    101      -4.6854      1.00000
    102      -4.3682      1.00000
    103      -4.1859      1.00000
    104      -4.0092      1.00000
    105      -3.8298      1.00000
    106      -3.4842      1.00000
    107      -2.1640      0.00000
    108      -1.3831      0.00000
    109      -1.2363      0.00000
    110      -1.1840      0.00000
    111      -1.0137      0.00000
    112      -0.9562      0.00000
    113      -0.7975      0.00000
    114      -0.7519      0.00000
    115      -0.3640      0.00000
    116       0.2450      0.00000
    117       0.2769      0.00000
    118       0.3651      0.00000
    119       0.6996      0.00000
    120       0.8687      0.00000
    121       0.9660      0.00000
    122       1.1261      0.00000
    123       1.2353      0.00000
    124       1.4552      0.00000
    125       1.5548      0.00000
    126       1.7827      0.00000
    127       1.8513      0.00000
    128       1.8855      0.00000
    129       1.9858      0.00000
    130       2.0316      0.00000
    131       2.2008      0.00000
    132       2.2104      0.00000
    133       2.4021      0.00000
    134       2.4634      0.00000
    135       2.5568      0.00000
    136       2.6583      0.00000
    137       2.6851      0.00000
    138       2.7283      0.00000
    139       2.7709      0.00000
    140       2.8545      0.00000
    141       2.9655      0.00000
    142       3.0838      0.00000
    143       3.1944      0.00000
    144       3.2437      0.00000
    145       3.2599      0.00000
    146       3.2990      0.00000
    147       3.3381      0.00000
    148       3.4831      0.00000
    149       3.5091      0.00000
    150       3.7133      0.00000
    151       3.7236      0.00000
    152       3.7702      0.00000
    153       3.8614      0.00000
    154       3.8753      0.00000
    155       3.9015      0.00000
    156       3.9982      0.00000
    157       4.0053      0.00000
    158       4.0592      0.00000
    159       4.0679      0.00000
    160       4.0896      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3200      1.00000
      2     -21.7619      1.00000
      3     -21.5680      1.00000
      4     -21.5407      1.00000
      5     -21.2054      1.00000
      6     -21.1662      1.00000
      7     -20.9859      1.00000
      8     -20.0990      1.00000
      9     -20.0599      1.00000
     10     -19.5468      1.00000
     11     -19.5260      1.00000
     12     -19.3450      1.00000
     13     -19.0287      1.00000
     14     -18.9884      1.00000
     15     -18.9776      1.00000
     16     -18.9715      1.00000
     17     -18.2963      1.00000
     18     -18.2823      1.00000
     19     -17.9464      1.00000
     20     -17.0008      1.00000
     21     -16.9596      1.00000
     22     -16.8829      1.00000
     23     -16.8696      1.00000
     24     -16.4160      1.00000
     25     -16.3935      1.00000
     26     -15.5408      1.00000
     27     -15.5374      1.00000
     28     -15.1724      1.00000
     29     -15.1714      1.00000
     30     -15.1318      1.00000
     31     -15.0371      1.00000
     32     -15.0009      1.00000
     33     -14.6332      1.00000
     34     -14.6265      1.00000
     35     -13.6626      1.00000
     36     -13.6530      1.00000
     37     -13.1715      1.00000
     38     -12.5743      1.00000
     39     -12.5130      1.00000
     40     -12.3859      1.00000
     41     -12.3857      1.00000
     42     -12.0348      1.00000
     43     -12.0311      1.00000
     44     -11.6546      1.00000
     45     -11.6144      1.00000
     46     -11.2077      1.00000
     47     -11.1567      1.00000
     48     -10.9558      1.00000
     49     -10.9425      1.00000
     50     -10.8602      1.00000
     51     -10.8279      1.00000
     52     -10.6265      1.00000
     53     -10.1478      1.00000
     54     -10.0850      1.00000
     55     -10.0258      1.00000
     56      -9.9466      1.00000
     57      -9.6316      1.00000
     58      -9.6292      1.00000
     59      -9.6032      1.00000
     60      -9.5405      1.00000
     61      -9.5035      1.00000
     62      -9.4785      1.00000
     63      -9.2736      1.00000
     64      -9.2357      1.00000
     65      -9.2076      1.00000
     66      -9.1791      1.00000
     67      -9.0624      1.00000
     68      -9.0472      1.00000
     69      -9.0437      1.00000
     70      -8.8772      1.00000
     71      -8.8083      1.00000
     72      -8.5384      1.00000
     73      -8.5320      1.00000
     74      -8.5037      1.00000
     75      -8.0318      1.00000
     76      -7.8315      1.00000
     77      -7.8017      1.00000
     78      -7.7738      1.00000
     79      -7.7042      1.00000
     80      -7.6843      1.00000
     81      -7.4102      1.00000
     82      -7.2891      1.00000
     83      -7.2514      1.00000
     84      -7.2036      1.00000
     85      -7.0822      1.00000
     86      -7.0732      1.00000
     87      -6.9371      1.00000
     88      -6.7122      1.00000
     89      -6.6745      1.00000
     90      -6.6290      1.00000
     91      -6.5568      1.00000
     92      -6.0723      1.00000
     93      -6.0321      1.00000
     94      -6.0010      1.00000
     95      -5.9365      1.00000
     96      -5.8007      1.00000
     97      -5.1822      1.00000
     98      -4.8950      1.00000
     99      -4.7938      1.00000
    100      -4.6108      1.00000
    101      -4.5123      1.00000
    102      -4.1407      1.00000
    103      -4.0921      1.00000
    104      -3.9310      1.00000
    105      -3.9164      1.00000
    106      -3.8289      1.00000
    107      -1.7513      0.00000
    108      -1.6957      0.00000
    109      -1.4097      0.00000
    110      -1.3722      0.00000
    111      -1.2642      0.00000
    112      -1.2356      0.00000
    113      -0.6226      0.00000
    114      -0.5989      0.00000
    115      -0.1898      0.00000
    116       0.0435      0.00000
    117       0.5832      0.00000
    118       0.7408      0.00000
    119       0.8503      0.00000
    120       0.9279      0.00000
    121       1.1679      0.00000
    122       1.2109      0.00000
    123       1.2464      0.00000
    124       1.4188      0.00000
    125       1.5987      0.00000
    126       1.6384      0.00000
    127       1.7038      0.00000
    128       1.8086      0.00000
    129       1.9238      0.00000
    130       1.9402      0.00000
    131       2.1491      0.00000
    132       2.1721      0.00000
    133       2.2617      0.00000
    134       2.3015      0.00000
    135       2.5419      0.00000
    136       2.5581      0.00000
    137       2.6438      0.00000
    138       2.7606      0.00000
    139       2.8148      0.00000
    140       2.8517      0.00000
    141       2.8941      0.00000
    142       2.9472      0.00000
    143       3.0145      0.00000
    144       3.0277      0.00000
    145       3.0874      0.00000
    146       3.3134      0.00000
    147       3.3753      0.00000
    148       3.4239      0.00000
    149       3.4814      0.00000
    150       3.6111      0.00000
    151       3.6590      0.00000
    152       3.6721      0.00000
    153       3.6814      0.00000
    154       3.8933      0.00000
    155       3.9819      0.00000
    156       4.0282      0.00000
    157       4.0734      0.00000
    158       4.2399      0.00000
    159       4.2586      0.00000
    160       4.2677      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1412      1.00000
      2     -22.0484      1.00000
      3     -21.8862      1.00000
      4     -21.3357      1.00000
      5     -20.9770      1.00000
      6     -20.9474      1.00000
      7     -20.4284      1.00000
      8     -20.3962      1.00000
      9     -20.2166      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     -18.2656      1.00000
     16     -18.2524      1.00000
     17     -18.0807      1.00000
     18     -18.0735      1.00000
     19     -17.7457      1.00000
     20     -17.7308      1.00000
     21     -17.1955      1.00000
     22     -17.1714      1.00000
     23     -17.0887      1.00000
     24     -17.0680      1.00000
     25     -16.0549      1.00000
     26     -15.8085      1.00000
     27     -15.7989      1.00000
     28     -15.7778      1.00000
     29     -15.1590      1.00000
     30     -14.4857      1.00000
     31     -14.4642      1.00000
     32     -14.2039      1.00000
     33     -13.9177      1.00000
     34     -13.8869      1.00000
     35     -13.7597      1.00000
     36     -13.7388      1.00000
     37     -13.5358      1.00000
     38     -13.5107      1.00000
     39     -13.3018      1.00000
     40     -12.5774      1.00000
     41     -12.1006      1.00000
     42     -12.0775      1.00000
     43     -11.9982      1.00000
     44     -11.9510      1.00000
     45     -11.6066      1.00000
     46     -11.5985      1.00000
     47     -11.0854      1.00000
     48     -11.0607      1.00000
     49     -10.7319      1.00000
     50     -10.6645      1.00000
     51     -10.5610      1.00000
     52     -10.1401      1.00000
     53     -10.1358      1.00000
     54     -10.1010      1.00000
     55      -9.9667      1.00000
     56      -9.9254      1.00000
     57      -9.9217      1.00000
     58      -9.7521      1.00000
     59      -9.7294      1.00000
     60      -9.6976      1.00000
     61      -9.6946      1.00000
     62      -9.4023      1.00000
     63      -9.3889      1.00000
     64      -9.0705      1.00000
     65      -8.9829      1.00000
     66      -8.9815      1.00000
     67      -8.9055      1.00000
     68      -8.8119      1.00000
     69      -8.6506      1.00000
     70      -8.6338      1.00000
     71      -8.5507      1.00000
     72      -8.5015      1.00000
     73      -8.4824      1.00000
     74      -8.3939      1.00000
     75      -8.3829      1.00000
     76      -8.2100      1.00000
     77      -8.1031      1.00000
     78      -8.0070      1.00000
     79      -7.9028      1.00000
     80      -7.8448      1.00000
     81      -7.6217      1.00000
     82      -7.5335      1.00000
     83      -7.4559      1.00000
     84      -7.2491      1.00000
     85      -6.9443      1.00000
     86      -6.8692      1.00000
     87      -6.8104      1.00000
     88      -6.4780      1.00000
     89      -6.4676      1.00000
     90      -6.4093      1.00000
     91      -6.3599      1.00000
     92      -6.1918      1.00000
     93      -5.8582      1.00000
     94      -5.7377      1.00000
     95      -5.7110      1.00000
     96      -5.5238      1.00000
     97      -5.3295      1.00000
     98      -5.1720      1.00000
     99      -5.1676      1.00000
    100      -5.1340      1.00000
    101      -4.6958      1.00000
    102      -4.3486      1.00000
    103      -4.2817      1.00000
    104      -4.0294      1.00000
    105      -3.8313      1.00000
    106      -3.2335      1.00000
    107      -2.4045      0.00000
    108      -1.3450      0.00000
    109      -1.2446      0.00000
    110      -1.1523      0.00000
    111      -1.1083      0.00000
    112      -0.5819      0.00000
    113      -0.5223      0.00000
    114      -0.4337      0.00000
    115      -0.2745      0.00000
    116      -0.0699      0.00000
    117      -0.0108      0.00000
    118       0.0601      0.00000
    119       0.5835      0.00000
    120       0.7109      0.00000
    121       0.8094      0.00000
    122       0.9432      0.00000
    123       1.1824      0.00000
    124       1.5084      0.00000
    125       1.6199      0.00000
    126       1.8593      0.00000
    127       2.0039      0.00000
    128       2.0505      0.00000
    129       2.1125      0.00000
    130       2.1587      0.00000
    131       2.2707      0.00000
    132       2.2862      0.00000
    133       2.3508      0.00000
    134       2.4642      0.00000
    135       2.6116      0.00000
    136       2.7003      0.00000
    137       2.8183      0.00000
    138       2.9150      0.00000
    139       2.9427      0.00000
    140       3.0194      0.00000
    141       3.0517      0.00000
    142       3.1562      0.00000
    143       3.1692      0.00000
    144       3.2298      0.00000
    145       3.2990      0.00000
    146       3.3110      0.00000
    147       3.3528      0.00000
    148       3.3728      0.00000
    149       3.4160      0.00000
    150       3.4476      0.00000
    151       3.5643      0.00000
    152       3.6130      0.00000
    153       3.7089      0.00000
    154       3.7303      0.00000
    155       3.8465      0.00000
    156       3.9079      0.00000
    157       3.9311      0.00000
    158       3.9624      0.00000
    159       4.1462      0.00000
    160       4.1812      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     -21.6467      1.00000
      4     -21.6153      1.00000
      5     -20.9104      1.00000
      6     -20.8694      1.00000
      7     -20.5397      1.00000
      8     -20.5070      1.00000
      9     -20.5001      1.00000
     10     -19.9628      1.00000
     11     -19.4417      1.00000
     12     -19.4188      1.00000
     13     -19.2404      1.00000
     14     -19.2330      1.00000
     15     -18.3766      1.00000
     16     -18.3413      1.00000
     17     -17.8595      1.00000
     18     -17.8428      1.00000
     19     -17.6918      1.00000
     20     -17.6556      1.00000
     21     -17.3728      1.00000
     22     -17.3581      1.00000
     23     -17.2674      1.00000
     24     -16.4137      1.00000
     25     -16.3903      1.00000
     26     -15.9055      1.00000
     27     -15.3436      1.00000
     28     -15.3388      1.00000
     29     -15.0311      1.00000
     30     -15.0216      1.00000
     31     -14.7760      1.00000
     32     -14.7744      1.00000
     33     -14.2388      1.00000
     34     -14.1870      1.00000
     35     -13.3889      1.00000
     36     -13.3334      1.00000
     37     -13.1111      1.00000
     38     -13.1032      1.00000
     39     -12.9187      1.00000
     40     -12.9127      1.00000
     41     -12.5452      1.00000
     42     -12.5378      1.00000
     43     -12.1342      1.00000
     44     -11.5135      1.00000
     45     -11.4692      1.00000
     46     -11.2446      1.00000
     47     -11.2130      1.00000
     48     -11.0874      1.00000
     49     -10.7086      1.00000
     50     -10.5952      1.00000
     51     -10.5097      1.00000
     52     -10.2519      1.00000
     53     -10.2480      1.00000
     54     -10.1218      1.00000
     55     -10.0538      1.00000
     56     -10.0395      1.00000
     57      -9.7860      1.00000
     58      -9.6876      1.00000
     59      -9.6741      1.00000
     60      -9.6381      1.00000
     61      -9.6283      1.00000
     62      -9.5859      1.00000
     63      -9.2962      1.00000
     64      -9.2841      1.00000
     65      -9.2527      1.00000
     66      -9.0677      1.00000
     67      -8.8947      1.00000
     68      -8.8844      1.00000
     69      -8.7187      1.00000
     70      -8.5834      1.00000
     71      -8.5259      1.00000
     72      -8.3512      1.00000
     73      -8.3047      1.00000
     74      -8.2428      1.00000
     75      -8.2383      1.00000
     76      -8.1939      1.00000
     77      -8.1819      1.00000
     78      -8.1694      1.00000
     79      -8.1113      1.00000
     80      -7.6905      1.00000
     81      -7.4148      1.00000
     82      -7.3456      1.00000
     83      -7.2581      1.00000
     84      -7.1695      1.00000
     85      -7.1112      1.00000
     86      -7.0033      1.00000
     87      -6.9041      1.00000
     88      -6.8467      1.00000
     89      -6.5411      1.00000
     90      -6.4995      1.00000
     91      -6.2141      1.00000
     92      -6.2009      1.00000
     93      -5.8945      1.00000
     94      -5.6738      1.00000
     95      -5.6088      1.00000
     96      -5.5803      1.00000
     97      -5.2531      1.00000
     98      -5.2314      1.00000
     99      -5.1648      1.00000
    100      -5.1346      1.00000
    101      -4.5994      1.00000
    102      -4.2516      1.00000
    103      -4.0459      1.00000
    104      -3.8849      1.00000
    105      -3.8430      1.00000
    106      -3.8014      1.00000
    107      -1.8070      0.00000
    108      -1.7802      0.00000
    109      -1.2249      0.00000
    110      -1.1764      0.00000
    111      -0.9736      0.00000
    112      -0.7338      0.00000
    113      -0.6507      0.00000
    114      -0.5937      0.00000
    115      -0.5494      0.00000
    116      -0.1505      0.00000
    117       0.1757      0.00000
    118       0.2883      0.00000
    119       0.7048      0.00000
    120       0.9485      0.00000
    121       1.1689      0.00000
    122       1.2782      0.00000
    123       1.3458      0.00000
    124       1.5109      0.00000
    125       1.6073      0.00000
    126       1.6276      0.00000
    127       1.6919      0.00000
    128       1.7741      0.00000
    129       1.8624      0.00000
    130       2.0825      0.00000
    131       2.1671      0.00000
    132       2.3240      0.00000
    133       2.3924      0.00000
    134       2.4255      0.00000
    135       2.5552      0.00000
    136       2.6235      0.00000
    137       2.6885      0.00000
    138       2.7523      0.00000
    139       2.8217      0.00000
    140       2.9104      0.00000
    141       3.0555      0.00000
    142       3.0605      0.00000
    143       3.1833      0.00000
    144       3.2814      0.00000
    145       3.3783      0.00000
    146       3.4145      0.00000
    147       3.4602      0.00000
    148       3.5500      0.00000
    149       3.5771      0.00000
    150       3.6343      0.00000
    151       3.6637      0.00000
    152       3.7016      0.00000
    153       3.7913      0.00000
    154       3.8051      0.00000
    155       3.8239      0.00000
    156       3.8928      0.00000
    157       3.9109      0.00000
    158       3.9804      0.00000
    159       4.1902      0.00000
    160       4.2340      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0396   -7.2575    3.9843   -1.1331   -0.1860   17.3779    0.4867   -0.8143    0.7716   -0.4776
x    -3.1247   -0.0255   -0.0214   -0.0252    0.0904   -3.0536    0.0302   -0.0244    0.0084    0.0018
x    -0.0955   -0.0027    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   -0.0313    0.0619    0.0187
y     0.0230   -3.2428   -0.1794    0.1707   -2.4192   -0.6650
z   204.0396    1.7511    0.2953    0.0878    0.0008    0.0706   -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    0.0987    0.0006   -0.0010   -0.0001   -0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0012   -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  -16.5986
z     0.1407    0.2356   -0.0288    0.0578   -0.0950    0.0006
 total charge-density along one line
x   212.0000  -10.0888    5.9312   -1.9420   -0.4216   19.2973   -0.6628    0.2078    0.0670   -0.1072
x    -2.7047   -0.0093    0.0008   -0.0439    0.0960   -2.3448    0.0476   -0.0345    0.0118    0.0025
x    -0.0856   -0.0053    0.0083   -0.0079    0.0053   -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  -10.0888    5.9312   -1.9420   -0.4216   19.2973   -0.6628    0.2078    0.0670   -0.1072
y    -2.7047   -0.0093    0.0008   -0.0439    0.0960   -2.3448    0.0476   -0.0345    0.0118    0.0025
y    -0.0856   -0.0053    0.0083   -0.0079    0.0053   -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 -205.3374  188.9462 -170.2136  154.0263 -140.2358  126.2813 -110.8140   94.5839  -78.9605
z    64.6315  -51.7201   40.4802  -31.3930   24.6299  -19.6938   15.7259  -12.1299    8.8632   -6.1902
z     4.2574   -2.9263    1.9376   -1.1394    0.5332   -0.1491   -0.0638    0.2137   -0.3666    0.5003
z    -0.5563    0.5193   -0.4361    0.3674   -0.3343    0.3155   -0.2840    0.2367   -0.1900    0.1567
z    -0.1347    0.1145   -0.0921    0.0716   -0.0576    0.0500   -0.0441    0.0370   -0.0296    0.0239
z    -0.0208    0.0185   -0.0159    0.0129   -0.0103    0.0084   -0.0068    0.0053   -0.0039    0.0028
z    -0.0020    0.0012   -0.0004   -0.0002    0.0004   -0.0004    0.0004   -0.0006    0.0007   -0.0007
z     0.0004   -0.0002    0.0001    0.0000    0.0000    0.0001   -0.0002    0.0003   -0.0003    0.0003
z    -0.0003    0.0002   -0.0002    0.0001   -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0000   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.940   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 -10.937   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   0.101   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
-10.940   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 -10.937   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   0.101   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   0.021   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   0.593   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   0.356   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   0.294   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   0.190  -0.052   0.000   0.115   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   0.065  -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   0.088   0.000   0.000
  0.000   0.259   0.000   0.294   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   0.003  -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   0.190   0.000   0.703   0.000  -0.108   1.351  -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   0.011  -0.004
 -0.001   0.000   0.096   0.000   0.003   0.115   0.000   0.088   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   0.065   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  -0.036   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  -0.040   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   8.942
  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   2.646
 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   2.646
 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       44.831  89.437   8.026 142.294
 


 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  114.50: CPU time   57.84
    FORLOC:  VPU time    1.26: CPU time    1.26
    FORNL :  VPU time  450.66: CPU time  226.33
    STRESS:  VPU time 1317.70: CPU time  663.45
    FORCOR:  VPU time    8.55: CPU time    8.55
    FORHAR:  VPU time    2.24: CPU time    2.25
    MIXING:  VPU time    0.16: CPU time    0.16
 d Force = 0.1668447E-04[ 0.162E-04, 0.172E-04]  d Energy = 0.1658353E-04 0.101E-06
 d Force = 0.3021711E+00[ 0.302E+00, 0.302E+00]  d Ewald  =-0.4612028E+00 0.763E+00


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.644982 eV

  energy  without entropy=     -471.644982  energy(sigma->0) =     -471.644982
 

  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    40728.92  40744.42 -47428.12     13.42      0.00      0.00
  Hartree  40195.03  40198.10 -39447.74      2.66      0.00      0.00
  E(xc)     -779.75   -779.56   -807.27      0.17      0.00      0.00
  Local   -83217.15 -83229.68  84193.33    -10.85      0.00      0.00
  n-local   -215.80   -215.68   -203.84     -0.16      0.00      0.00
  augment     22.10     20.54     17.35     -1.35      0.00      0.00
  Kinetic   3168.76   3171.53   3582.14     -6.06      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.18     -0.18     -0.21      0.01      0.00      0.00
  in kB       -0.11     -0.11     -0.13      0.00      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
    12.347389295  0.001543949  0.000000000     0.080982936  0.046742087  0.000000000
    -6.172364191 10.693920597  0.000000000    -0.000011692  0.093504326  0.000000000
     0.000000000  0.000000000 19.977517888     0.000000000  0.000000000  0.050056269

  length of vectors
    12.347389391 12.347389094 19.977517888     0.093504324  0.093504326  0.050056269


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.472E-05 -.455E-04 -.961E+03   0.435E-05 -.274E-04 0.968E+03   0.425E-21 0.139E-23 -.784E+01   -.432E-07 0.208E-07 0.158E-02
   -.175E+02 -.303E+02 -.136E+03   0.183E+02 0.318E+02 0.139E+03   -.826E+00 -.143E+01 -.258E+01   -.487E-04 -.854E-04 -.128E-03
   0.175E+02 0.303E+02 -.136E+03   -.183E+02 -.318E+02 0.139E+03   0.826E+00 0.143E+01 -.258E+01   0.487E-04 0.854E-04 -.128E-03
   -.196E+01 0.113E+01 0.178E+02   0.197E+01 -.114E+01 -.178E+02   -.107E-01 0.620E-02 -.398E-02   -.231E-03 0.130E-03 0.289E-03
   0.580E+01 0.684E+01 0.204E+02   -.581E+01 -.686E+01 -.204E+02   0.523E-02 0.358E-01 -.188E-01   0.163E-03 -.362E-03 0.436E-03
   0.112E+02 0.506E+01 0.186E+02   -.112E+02 -.507E+01 -.185E+02   0.285E-01 0.902E-02 -.545E-01   -.155E-03 -.259E-04 -.191E-03
   0.451E+01 -.100E+01 0.163E+02   -.453E+01 0.102E+01 -.163E+02   0.205E-01 -.184E-01 -.252E-02   -.223E-03 0.138E-04 -.420E-04
   -.291E+01 -.241E+01 0.154E+02   0.293E+01 0.243E+01 -.154E+02   -.154E-01 -.150E-01 0.263E-02   -.174E-03 -.908E-04 -.275E-03
   0.632E+00 0.373E+01 0.154E+02   -.640E+00 -.375E+01 -.154E+02   0.530E-02 0.209E-01 0.263E-02   -.138E-04 0.190E-03 -.279E-03
   0.274E+01 0.182E+02 0.249E+02   -.275E+01 -.183E+02 -.249E+02   0.670E-02 0.106E+00 -.639E-02   -.152E-03 0.181E-03 -.167E-03
   0.214E+02 0.226E+02 0.396E+02   -.216E+02 -.228E+02 -.395E+02   0.115E+00 0.232E+00 -.173E-01   -.102E-03 -.697E-03 -.653E-03
   0.265E+02 -.452E+01 0.264E+02   -.268E+02 0.464E+01 -.264E+02   0.237E+00 -.118E+00 -.571E-01   -.352E-03 -.242E-03 -.304E-03
   0.918E+01 -.530E+01 0.155E+02   -.920E+01 0.531E+01 -.155E+02   0.154E-01 -.886E-02 0.472E-02   -.364E-04 0.147E-04 -.114E-03
   0.312E+01 -.340E+01 0.163E+02   -.314E+01 0.341E+01 -.163E+02   0.262E-01 -.855E-02 -.252E-02   -.126E-03 0.182E-03 -.506E-04
   -.607E+01 0.132E+02 0.199E+02   0.607E+01 -.133E+02 -.199E+02   -.359E-02 0.730E-01 -.999E-02   -.192E-03 0.731E-04 -.135E-03
   -.122E+02 0.335E+02 0.454E+02   0.123E+02 -.342E+02 -.457E+02   -.960E-01 0.680E+00 0.347E+00   0.112E-03 -.520E-03 -.272E-03
   0.265E+02 -.153E+02 0.688E+02   -.275E+02 0.159E+02 -.709E+02   0.969E+00 -.560E+00 0.210E+01   0.204E-03 -.120E-03 0.408E-03
   0.172E+02 -.207E+02 0.264E+02   -.174E+02 0.208E+02 -.264E+02   0.220E+00 -.146E+00 -.571E-01   0.310E-04 0.418E-03 -.309E-03
   0.123E+01 -.123E+02 0.186E+02   -.123E+01 0.123E+02 -.185E+02   0.645E-02 -.292E-01 -.545E-01   -.518E-04 0.146E-03 -.197E-03
   -.387E+01 0.153E+01 0.145E+02   0.388E+01 -.153E+01 -.145E+02   -.743E-02 0.386E-02 -.410E-01   -.487E-05 -.176E-03 -.835E-04
   -.182E+02 0.105E+02 0.205E+02   0.182E+02 -.105E+02 -.204E+02   -.663E-01 0.383E-01 -.129E+00   0.171E-03 -.952E-04 -.302E-03
   -.351E+02 -.614E+01 0.454E+02   0.358E+02 0.641E+01 -.457E+02   -.637E+00 -.257E+00 0.347E+00   0.509E-03 0.162E-03 -.269E-03
   -.882E+01 -.298E+02 0.396E+02   0.895E+01 0.300E+02 -.395E+02   -.144E+00 -.216E+00 -.173E-01   0.556E-03 0.433E-03 -.655E-03
   -.302E+01 -.845E+01 0.204E+02   0.304E+01 0.847E+01 -.204E+02   -.284E-01 -.224E-01 -.188E-01   0.397E-03 0.377E-04 0.435E-03
   0.127E+01 -.735E+00 0.154E+02   -.127E+01 0.735E+00 -.154E+02   -.281E-02 0.162E-02 -.291E-01   0.119E-03 -.665E-04 -.307E-03
   -.326E+01 0.258E+01 0.145E+02   0.327E+01 -.259E+01 -.145E+02   -.706E-02 0.450E-02 -.410E-01   0.151E-03 0.966E-04 -.786E-04
   -.144E+02 -.134E+01 0.199E+02   0.145E+02 0.137E+01 -.199E+02   -.650E-01 -.334E-01 -.999E-02   -.158E-03 0.129E-03 -.127E-03
   -.144E+02 -.115E+02 0.249E+02   0.145E+02 0.115E+02 -.249E+02   -.888E-01 -.590E-01 -.639E-02   -.231E-03 0.362E-04 -.164E-03
   0.302E+01 0.845E+01 0.204E+02   -.304E+01 -.847E+01 -.204E+02   0.284E-01 0.224E-01 -.188E-01   -.397E-03 -.377E-04 0.435E-03
   0.144E+02 0.115E+02 0.249E+02   -.145E+02 -.115E+02 -.249E+02   0.888E-01 0.590E-01 -.639E-02   0.231E-03 -.362E-04 -.164E-03
   0.144E+02 0.134E+01 0.199E+02   -.145E+02 -.137E+01 -.199E+02   0.650E-01 0.334E-01 -.999E-02   0.158E-03 -.129E-03 -.127E-03
   0.326E+01 -.258E+01 0.145E+02   -.327E+01 0.259E+01 -.145E+02   0.706E-02 -.450E-02 -.410E-01   -.151E-03 -.966E-04 -.786E-04
   -.127E+01 0.735E+00 0.154E+02   0.127E+01 -.735E+00 -.154E+02   0.281E-02 -.162E-02 -.291E-01   -.119E-03 0.665E-04 -.307E-03
   -.123E+01 0.123E+02 0.186E+02   0.123E+01 -.123E+02 -.185E+02   -.645E-02 0.292E-01 -.545E-01   0.518E-04 -.146E-03 -.197E-03
   0.882E+01 0.298E+02 0.396E+02   -.895E+01 -.300E+02 -.395E+02   0.144E+00 0.216E+00 -.173E-01   -.556E-03 -.433E-03 -.655E-03
   0.351E+02 0.614E+01 0.454E+02   -.358E+02 -.641E+01 -.457E+02   0.637E+00 0.257E+00 0.347E+00   -.509E-03 -.162E-03 -.269E-03
   0.182E+02 -.105E+02 0.205E+02   -.182E+02 0.105E+02 -.204E+02   0.663E-01 -.383E-01 -.129E+00   -.171E-03 0.952E-04 -.302E-03
   0.387E+01 -.153E+01 0.145E+02   -.388E+01 0.153E+01 -.145E+02   0.743E-02 -.386E-02 -.410E-01   0.488E-05 0.176E-03 -.835E-04
   -.312E+01 0.340E+01 0.163E+02   0.314E+01 -.341E+01 -.163E+02   -.262E-01 0.855E-02 -.252E-02   0.126E-03 -.182E-03 -.506E-04
   -.172E+02 0.207E+02 0.264E+02   0.174E+02 -.208E+02 -.264E+02   -.220E+00 0.146E+00 -.571E-01   -.310E-04 -.418E-03 -.309E-03
   -.265E+02 0.153E+02 0.688E+02   0.275E+02 -.159E+02 -.709E+02   -.969E+00 0.560E+00 0.210E+01   -.204E-03 0.120E-03 0.409E-03
   0.122E+02 -.335E+02 0.454E+02   -.123E+02 0.342E+02 -.457E+02   0.960E-01 -.680E+00 0.347E+00   -.112E-03 0.520E-03 -.272E-03
   0.606E+01 -.132E+02 0.199E+02   -.607E+01 0.133E+02 -.199E+02   0.359E-02 -.730E-01 -.999E-02   0.192E-03 -.731E-04 -.135E-03
   -.632E+00 -.373E+01 0.154E+02   0.640E+00 0.375E+01 -.154E+02   -.530E-02 -.209E-01 0.263E-02   0.139E-04 -.190E-03 -.279E-03
   -.918E+01 0.530E+01 0.155E+02   0.920E+01 -.531E+01 -.155E+02   -.154E-01 0.886E-02 0.472E-02   0.364E-04 -.148E-04 -.114E-03
   -.265E+02 0.452E+01 0.264E+02   0.268E+02 -.464E+01 -.264E+02   -.237E+00 0.118E+00 -.571E-01   0.352E-03 0.242E-03 -.304E-03
   -.214E+02 -.226E+02 0.396E+02   0.216E+02 0.228E+02 -.395E+02   -.115E+00 -.232E+00 -.173E-01   0.102E-03 0.697E-03 -.653E-03
   -.274E+01 -.182E+02 0.249E+02   0.275E+01 0.183E+02 -.249E+02   -.670E-02 -.106E+00 -.639E-02   0.152E-03 -.181E-03 -.167E-03
   0.196E+01 -.113E+01 0.178E+02   -.197E+01 0.114E+01 -.178E+02   0.107E-01 -.620E-02 -.398E-02   0.231E-03 -.130E-03 0.289E-03
   0.291E+01 0.241E+01 0.154E+02   -.293E+01 -.243E+01 -.154E+02   0.154E-01 0.150E-01 0.263E-02   0.174E-03 0.908E-04 -.275E-03
   -.451E+01 0.100E+01 0.163E+02   0.453E+01 -.102E+01 -.163E+02   -.205E-01 0.184E-01 -.252E-02   0.223E-03 -.138E-04 -.420E-04
   -.112E+02 -.506E+01 0.186E+02   0.112E+02 0.507E+01 -.185E+02   -.285E-01 -.902E-02 -.545E-01   0.155E-03 0.259E-04 -.191E-03
   -.580E+01 -.684E+01 0.204E+02   0.581E+01 0.686E+01 -.204E+02   -.523E-02 -.358E-01 -.188E-01   -.163E-03 0.362E-03 0.436E-03
 -----------------------------------------------------------------------------------------------
   -.183E-02 0.312E-03 0.857E+01   0.104E-12 0.117E-12 -.423E-12   -.586E-15 0.625E-16 -.854E+01   -.549E-07 0.264E-07 -.549E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85286      6.06056     12.32011         0.000000      0.000000      0.030465
      2.25962      6.76507     13.64065         0.004510      0.007812      0.003335
      1.44611      5.35604     13.64065        -0.004510     -0.007812      0.003335
      0.00060     -0.00035      9.93670        -0.003347      0.001933     -0.002607
     11.11217      2.13909      9.93915        -0.003535      0.008432     -0.002564
      9.87656      4.27869      9.95320         0.006358     -0.000936     -0.000318
      8.64324      6.41797      9.95352         0.002819     -0.002957     -0.001128
     -4.93627      8.55520      9.94687        -0.001028      0.001902      0.000300
      2.47023     -0.00113      9.94687        -0.002162     -0.000061      0.000300
      1.23476      2.13616      9.95265        -0.004844     -0.009334     -0.000202
     -0.00395      4.27464      9.98368        -0.004080      0.012806      0.000871
     -1.23845      6.41574      9.99067         0.000446      0.004645     -0.000554
     -2.46711      8.55469      9.96162        -0.005710      0.003297     -0.000941
      4.93853      0.00122      9.95352         0.003970     -0.000963     -0.001128
      3.70478      2.13647      9.96190         0.004507     -0.004961     -0.000314
      2.47079      4.26289     10.02912        -0.011386      0.000956     -0.001541
      1.22846      6.42106     10.10195        -0.014028      0.008099     -0.003296
     -0.00039      8.56013      9.99067        -0.003799     -0.002709     -0.000554
      7.40786      0.00277      9.95320         0.003989     -0.005038     -0.000318
      6.17340      2.13989      9.95378        -0.001651      0.003697     -0.000124
      4.94038      4.27798      9.98463        -0.005034      0.002906     -0.000826
      3.71865      6.42426     10.02912        -0.006521      0.009383     -0.001541
      2.47111      8.56156      9.98368        -0.013130     -0.002869      0.000871
      9.87861      0.00250      9.93915        -0.009070     -0.001154     -0.002564
      8.64266      2.14047      9.94215        -0.002879      0.001662      0.000249
      7.40853      4.27920      9.95378        -0.004027     -0.000419     -0.000124
      6.17718      6.41879      9.96190         0.006550     -0.001422     -0.000314
      4.94243      8.55805      9.95265         0.005661      0.008862     -0.000202
     -0.00052      1.42469      9.93915         0.009070      0.001154     -0.002564
     -1.23671      3.56307      9.95265        -0.005661     -0.008862     -0.000202
     -2.47145      5.70232      9.96190        -0.006550      0.001422     -0.000314
     -3.70281      7.84191      9.95378         0.004027      0.000419     -0.000124
     -4.93694      9.98065      9.94215         0.002879     -0.001662      0.000249
      2.47023      1.42442      9.95320        -0.003989      0.005038     -0.000318
      1.23462      3.55955      9.98368         0.013130      0.002869      0.000871
     -0.01293      5.69686     10.02912         0.006521     -0.009383     -0.001541
     -1.23465      7.84313      9.98463         0.005034     -0.002906     -0.000826
     -2.46768      9.98123      9.95378         0.001651     -0.003697     -0.000124
      4.93956      1.42598      9.95352        -0.003970      0.000963     -0.001128
      3.70612      3.56099      9.99067         0.003799      0.002709     -0.000554
      2.47726      5.70006     10.10195         0.014028     -0.008099     -0.003296
      1.23494      7.85823     10.02912         0.011386     -0.000956     -0.001541
      0.00095      9.98464      9.96190        -0.004507      0.004961     -0.000314
      7.40785      1.42833      9.94687         0.002162      0.000061      0.000300
      6.17284      3.56642      9.96162         0.005710     -0.003297     -0.000941
      4.94418      5.70538      9.99067        -0.000446     -0.004645     -0.000554
      3.70967      7.84648      9.98368         0.004080     -0.012806      0.000871
      2.47097      9.98495      9.95265         0.004844      0.009334     -0.000202
      9.87749      1.42754      9.93670         0.003347     -0.001933     -0.002607
      8.64199      3.56591      9.94687         0.001028     -0.001902      0.000300
      7.40987      5.70469      9.95352        -0.002819      0.002957     -0.001128
      6.17656      7.84397      9.95320        -0.006358      0.000936     -0.000318
      4.94095      9.98356      9.93915         0.003535     -0.008432     -0.002564
 -----------------------------------------------------------------------------------
    total drift:                               -0.001830      0.000312      0.019289


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


 Conjugate gradient step on ions:
 trial-energy change:   -0.000017  1 .order   -0.000017   -0.000017   -0.000016
  (g-gl).g = 0.240E-03      g.g   = 0.243E-03  gl.gl    = 0.805E-04
 g(Force)  = 0.242E-03   g(Stress)= 0.798E-06 ortho     = 0.303E-05
 gamma     =   2.98550
 trial     =   0.06906
 opt step  =   0.27623  (harmonic =   0.84286) maximal distance =0.00093169
 next E    =  -471.645072   (d E  =  -0.00011)


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


    WAVPRE:  VPU time    1.95: CPU time    1.95
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.36: CPU time    1.36
    ORTHCH:  VPU time  183.15: CPU time   91.72
     LOOP+:  VPU time 5151.17: CPU time 2651.34


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


    POTLOK:  VPU time    9.22: CPU time    9.04
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1765.92: CPU time  915.05
 BZINTS: Fermi energy: -3.153832;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time   -0.01: CPU time    0.00
    CHARGE:  VPU time  113.24: CPU time   57.19
    MIXING:  VPU time    0.15: CPU time    0.14
    ------------------------------------------
      LOOP:  VPU time 1888.95: CPU time  981.78

 eigenvalue-minimisations  :  5824
 total energy-change (2. order) :-0.4716450E+03  (-0.4216287E-03)
 number of electron  212.0000066 magnetization    0.0000000
 augmentation part     7.9604860 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.13301E-02    rms(broyden)= 0.13297E-02
  rms(prec ) = 0.14351E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34046.62168149
  -1/2 Hartree   DENC   =    -40946.49337041
  -V(xc)+E(xc)   XCENC  =       726.61032666
  PAW double counting   =      4092.90322751    -4131.28537861
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.44136385
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64502361 eV

  energy without entropy =     -471.64502361  energy(sigma->0) =     -471.64502361


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




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


    POTLOK:  VPU time    9.04: CPU time    9.05
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1450.41: CPU time  749.86
 BZINTS: Fermi energy: -3.154804;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time   -0.01: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1459.87: CPU time  759.28

 eigenvalue-minimisations  :  4368
 total energy-change (2. order) :-0.3080855E-05  (-0.8080616E-05)
 number of electron  212.0000066 magnetization    0.0000000
 augmentation part     7.9604860 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34046.62168149
  -1/2 Hartree   DENC   =    -40946.54611004
  -V(xc)+E(xc)   XCENC  =       726.61280351
  PAW double counting   =      4092.92680759    -4131.30845637
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.39160647
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64502669 eV

  energy without entropy =     -471.64502669  energy(sigma->0) =     -471.64502669


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




 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 -58.5397       2 -39.9831       3 -39.9831       4 -58.2448       5 -58.2492
       6 -58.2566       7 -58.2475       8 -58.2457       9 -58.2457      10 -58.2615
      11 -58.3161      12 -58.2930      13 -58.2508      14 -58.2475      15 -58.2584
      16 -58.4387      17 -58.7323      18 -58.2930      19 -58.2566      20 -58.2511
      21 -58.2782      22 -58.4387      23 -58.3161      24 -58.2493      25 -58.2445
      26 -58.2511      27 -58.2584      28 -58.2615      29 -58.2491      30 -58.2614
      31 -58.2583      32 -58.2510      33 -58.2444      34 -58.2565      35 -58.3160
      36 -58.4386      37 -58.2781      38 -58.2510      39 -58.2473      40 -58.2929
      41 -58.7322      42 -58.4387      43 -58.2583      44 -58.2456      45 -58.2506
      46 -58.2929      47 -58.3160      48 -58.2614      49 -58.2447      50 -58.2456
      51 -58.2474      52 -58.2565      53 -58.2492
 
 
 
 E-fermi :  -3.1548     XC(G=0):  -2.3437     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3574      1.00000
      2     -21.5377      1.00000
      3     -21.4080      1.00000
      4     -21.4068      1.00000
      5     -21.3758      1.00000
      6     -21.3666      1.00000
      7     -21.3594      1.00000
      8     -19.6476      1.00000
      9     -19.5729      1.00000
     10     -19.5657      1.00000
     11     -19.5591      1.00000
     12     -19.5412      1.00000
     13     -19.5385      1.00000
     14     -18.7292      1.00000
     15     -18.6803      1.00000
     16     -18.6727      1.00000
     17     -18.6592      1.00000
     18     -18.6441      1.00000
     19     -18.6426      1.00000
     20     -16.5869      1.00000
     21     -16.5269      1.00000
     22     -16.5246      1.00000
     23     -16.5120      1.00000
     24     -16.4874      1.00000
     25     -16.4858      1.00000
     26     -15.5603      1.00000
     27     -15.5273      1.00000
     28     -15.5264      1.00000
     29     -15.5000      1.00000
     30     -15.4952      1.00000
     31     -15.4894      1.00000
     32     -14.2073      1.00000
     33     -14.1807      1.00000
     34     -14.1685      1.00000
     35     -14.1656      1.00000
     36     -14.1605      1.00000
     37     -14.1495      1.00000
     38     -11.8857      1.00000
     39     -11.8093      1.00000
     40     -11.7926      1.00000
     41     -11.7924      1.00000
     42     -11.7889      1.00000
     43     -11.7830      1.00000
     44     -11.7054      1.00000
     45     -11.6991      1.00000
     46     -11.6733      1.00000
     47     -11.6585      1.00000
     48     -11.6583      1.00000
     49     -11.6516      1.00000
     50     -10.6752      1.00000
     51     -10.3299      1.00000
     52     -10.3216      1.00000
     53     -10.3061      1.00000
     54     -10.3052      1.00000
     55     -10.2918      1.00000
     56     -10.2787      1.00000
     57      -9.9289      1.00000
     58      -9.3736      1.00000
     59      -9.3598      1.00000
     60      -9.3008      1.00000
     61      -9.2925      1.00000
     62      -9.2859      1.00000
     63      -9.0939      1.00000
     64      -9.0549      1.00000
     65      -9.0502      1.00000
     66      -9.0268      1.00000
     67      -9.0082      1.00000
     68      -9.0024      1.00000
     69      -9.0016      1.00000
     70      -8.9954      1.00000
     71      -8.9926      1.00000
     72      -8.9720      1.00000
     73      -8.9647      1.00000
     74      -8.9553      1.00000
     75      -8.5028      1.00000
     76      -7.5121      1.00000
     77      -7.4123      1.00000
     78      -7.4107      1.00000
     79      -7.4008      1.00000
     80      -7.3838      1.00000
     81      -7.3652      1.00000
     82      -7.3409      1.00000
     83      -7.3102      1.00000
     84      -7.2700      1.00000
     85      -7.2065      1.00000
     86      -7.1806      1.00000
     87      -7.1804      1.00000
     88      -7.0729      1.00000
     89      -6.5094      1.00000
     90      -6.4617      1.00000
     91      -6.3554      1.00000
     92      -6.2937      1.00000
     93      -6.2884      1.00000
     94      -6.2870      1.00000
     95      -5.8981      1.00000
     96      -5.8849      1.00000
     97      -5.0490      1.00000
     98      -4.9361      1.00000
     99      -4.5392      1.00000
    100      -4.3415      1.00000
    101      -4.3184      1.00000
    102      -4.3175      1.00000
    103      -4.1160      1.00000
    104      -3.9127      1.00000
    105      -3.9017      1.00000
    106      -3.8344      1.00000
    107      -1.6821      0.00000
    108      -1.6694      0.00000
    109      -1.5363      0.00000
    110      -1.5351      0.00000
    111      -1.5228      0.00000
    112      -1.5092      0.00000
    113      -0.5852      0.00000
    114       0.1330      0.00000
    115       0.2063      0.00000
    116       0.3245      0.00000
    117       0.3264      0.00000
    118       0.3336      0.00000
    119       0.4960      0.00000
    120       0.5942      0.00000
    121       1.2588      0.00000
    122       1.2719      0.00000
    123       1.5241      0.00000
    124       1.7963      0.00000
    125       1.8025      0.00000
    126       1.8055      0.00000
    127       1.8103      0.00000
    128       1.9448      0.00000
    129       1.9780      0.00000
    130       2.0317      0.00000
    131       2.0457      0.00000
    132       2.0509      0.00000
    133       2.0548      0.00000
    134       2.0586      0.00000
    135       2.3041      0.00000
    136       2.3246      0.00000
    137       2.6101      0.00000
    138       2.6168      0.00000
    139       2.6452      0.00000
    140       2.7253      0.00000
    141       2.8605      0.00000
    142       3.0274      0.00000
    143       3.0550      0.00000
    144       3.0897      0.00000
    145       3.0967      0.00000
    146       3.1019      0.00000
    147       3.1045      0.00000
    148       3.2309      0.00000
    149       3.4480      0.00000
    150       3.5384      0.00000
    151       3.7878      0.00000
    152       3.9459      0.00000
    153       3.9504      0.00000
    154       3.9558      0.00000
    155       3.9619      0.00000
    156       3.9972      0.00000
    157       4.1802      0.00000
    158       4.2654      0.00000
    159       4.2865      0.00000
    160       4.2872      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     -21.5716      1.00000
      4     -21.5387      1.00000
      5     -21.2087      1.00000
      6     -21.1637      1.00000
      7     -20.9881      1.00000
      8     -20.1027      1.00000
      9     -20.0584      1.00000
     10     -19.5472      1.00000
     11     -19.5224      1.00000
     12     -19.3500      1.00000
     13     -19.0257      1.00000
     14     -18.9903      1.00000
     15     -18.9820      1.00000
     16     -18.9700      1.00000
     17     -18.2982      1.00000
     18     -18.2788      1.00000
     19     -17.9528      1.00000
     20     -17.0105      1.00000
     21     -16.9603      1.00000
     22     -16.8793      1.00000
     23     -16.8693      1.00000
     24     -16.4056      1.00000
     25     -16.3906      1.00000
     26     -15.5530      1.00000
     27     -15.5365      1.00000
     28     -15.1986      1.00000
     29     -15.1698      1.00000
     30     -15.1154      1.00000
     31     -15.0285      1.00000
     32     -15.0033      1.00000
     33     -14.6370      1.00000
     34     -14.6252      1.00000
     35     -13.6682      1.00000
     36     -13.6527      1.00000
     37     -13.1703      1.00000
     38     -12.5520      1.00000
     39     -12.5180      1.00000
     40     -12.3918      1.00000
     41     -12.3787      1.00000
     42     -12.0581      1.00000
     43     -12.0351      1.00000
     44     -11.6602      1.00000
     45     -11.6180      1.00000
     46     -11.1815      1.00000
     47     -11.1572      1.00000
     48     -10.9659      1.00000
     49     -10.9414      1.00000
     50     -10.8746      1.00000
     51     -10.8380      1.00000
     52     -10.6039      1.00000
     53     -10.0943      1.00000
     54     -10.0892      1.00000
     55     -10.0470      1.00000
     56      -9.9718      1.00000
     57      -9.6552      1.00000
     58      -9.6299      1.00000
     59      -9.5928      1.00000
     60      -9.5302      1.00000
     61      -9.5114      1.00000
     62      -9.4796      1.00000
     63      -9.2654      1.00000
     64      -9.2418      1.00000
     65      -9.2217      1.00000
     66      -9.1670      1.00000
     67      -9.0691      1.00000
     68      -9.0475      1.00000
     69      -9.0415      1.00000
     70      -8.8835      1.00000
     71      -8.8071      1.00000
     72      -8.5792      1.00000
     73      -8.5232      1.00000
     74      -8.4629      1.00000
     75      -8.0356      1.00000
     76      -7.8123      1.00000
     77      -7.8075      1.00000
     78      -7.7935      1.00000
     79      -7.7010      1.00000
     80      -7.6911      1.00000
     81      -7.3612      1.00000
     82      -7.2745      1.00000
     83      -7.2651      1.00000
     84      -7.2152      1.00000
     85      -7.1727      1.00000
     86      -7.0088      1.00000
     87      -6.9480      1.00000
     88      -6.7474      1.00000
     89      -6.6728      1.00000
     90      -6.5943      1.00000
     91      -6.5597      1.00000
     92      -6.0510      1.00000
     93      -6.0478      1.00000
     94      -6.0221      1.00000
     95      -5.9594      1.00000
     96      -5.7368      1.00000
     97      -5.1567      1.00000
     98      -4.9895      1.00000
     99      -4.7190      1.00000
    100      -4.6114      1.00000
    101      -4.4406      1.00000
    102      -4.3740      1.00000
    103      -4.1225      1.00000
    104      -3.8684      1.00000
    105      -3.8343      1.00000
    106      -3.7909      1.00000
    107      -1.7861      0.00000
    108      -1.7389      0.00000
    109      -1.3947      0.00000
    110      -1.3466      0.00000
    111      -1.2644      0.00000
    112      -1.2258      0.00000
    113      -0.7452      0.00000
    114      -0.3791      0.00000
    115      -0.2208      0.00000
    116      -0.0183      0.00000
    117       0.5888      0.00000
    118       0.7359      0.00000
    119       0.7638      0.00000
    120       1.0495      0.00000
    121       1.1414      0.00000
    122       1.2498      0.00000
    123       1.2707      0.00000
    124       1.4133      0.00000
    125       1.4781      0.00000
    126       1.5831      0.00000
    127       1.7567      0.00000
    128       1.8400      0.00000
    129       1.8963      0.00000
    130       1.9583      0.00000
    131       2.1056      0.00000
    132       2.2329      0.00000
    133       2.2484      0.00000
    134       2.2944      0.00000
    135       2.4881      0.00000
    136       2.6131      0.00000
    137       2.6380      0.00000
    138       2.7653      0.00000
    139       2.7997      0.00000
    140       2.8580      0.00000
    141       2.8675      0.00000
    142       2.8926      0.00000
    143       2.9585      0.00000
    144       3.0800      0.00000
    145       3.2808      0.00000
    146       3.3049      0.00000
    147       3.3766      0.00000
    148       3.4084      0.00000
    149       3.4672      0.00000
    150       3.5880      0.00000
    151       3.6380      0.00000
    152       3.6703      0.00000
    153       3.7083      0.00000
    154       3.9061      0.00000
    155       3.9410      0.00000
    156       3.9813      0.00000
    157       4.0833      0.00000
    158       4.2023      0.00000
    159       4.2453      0.00000
    160       4.2970      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     -21.6503      1.00000
      4     -21.6131      1.00000
      5     -20.9139      1.00000
      6     -20.8675      1.00000
      7     -20.5467      1.00000
      8     -20.5072      1.00000
      9     -20.4968      1.00000
     10     -19.9645      1.00000
     11     -19.4435      1.00000
     12     -19.4162      1.00000
     13     -19.2424      1.00000
     14     -19.2280      1.00000
     15     -18.3850      1.00000
     16     -18.3407      1.00000
     17     -17.8609      1.00000
     18     -17.8398      1.00000
     19     -17.6987      1.00000
     20     -17.6560      1.00000
     21     -17.3729      1.00000
     22     -17.3568      1.00000
     23     -17.2752      1.00000
     24     -16.4020      1.00000
     25     -16.3871      1.00000
     26     -15.8972      1.00000
     27     -15.3537      1.00000
     28     -15.3379      1.00000
     29     -15.0357      1.00000
     30     -15.0217      1.00000
     31     -14.8003      1.00000
     32     -14.7756      1.00000
     33     -14.2228      1.00000
     34     -14.1903      1.00000
     35     -13.3719      1.00000
     36     -13.3376      1.00000
     37     -13.1208      1.00000
     38     -13.1031      1.00000
     39     -12.9172      1.00000
     40     -12.9037      1.00000
     41     -12.5576      1.00000
     42     -12.5395      1.00000
     43     -12.1339      1.00000
     44     -11.5230      1.00000
     45     -11.4749      1.00000
     46     -11.2547      1.00000
     47     -11.2207      1.00000
     48     -11.0802      1.00000
     49     -10.6606      1.00000
     50     -10.5894      1.00000
     51     -10.5244      1.00000
     52     -10.2584      1.00000
     53     -10.2499      1.00000
     54     -10.1236      1.00000
     55     -10.0493      1.00000
     56     -10.0419      1.00000
     57      -9.7709      1.00000
     58      -9.7058      1.00000
     59      -9.6808      1.00000
     60      -9.6313      1.00000
     61      -9.6270      1.00000
     62      -9.5885      1.00000
     63      -9.2953      1.00000
     64      -9.2859      1.00000
     65      -9.2542      1.00000
     66      -9.0900      1.00000
     67      -8.8977      1.00000
     68      -8.8844      1.00000
     69      -8.7255      1.00000
     70      -8.5906      1.00000
     71      -8.5149      1.00000
     72      -8.3316      1.00000
     73      -8.3032      1.00000
     74      -8.2652      1.00000
     75      -8.2337      1.00000
     76      -8.1954      1.00000
     77      -8.1869      1.00000
     78      -8.1714      1.00000
     79      -8.1041      1.00000
     80      -7.6892      1.00000
     81      -7.3544      1.00000
     82      -7.3106      1.00000
     83      -7.2642      1.00000
     84      -7.1876      1.00000
     85      -7.1248      1.00000
     86      -7.0772      1.00000
     87      -6.9076      1.00000
     88      -6.8828      1.00000
     89      -6.5502      1.00000
     90      -6.4929      1.00000
     91      -6.2105      1.00000
     92      -6.0703      1.00000
     93      -5.9425      1.00000
     94      -5.7157      1.00000
     95      -5.6334      1.00000
     96      -5.4527      1.00000
     97      -5.3055      1.00000
     98      -5.2345      1.00000
     99      -5.1526      1.00000
    100      -5.1520      1.00000
    101      -4.5233      1.00000
    102      -4.4706      1.00000
    103      -4.1430      1.00000
    104      -3.8374      1.00000
    105      -3.7575      1.00000
    106      -3.6800      1.00000
    107      -1.8717      0.00000
    108      -1.8244      0.00000
    109      -1.2773      0.00000
    110      -1.0368      0.00000
    111      -1.0117      0.00000
    112      -0.7126      0.00000
    113      -0.6403      0.00000
    114      -0.5884      0.00000
    115      -0.5460      0.00000
    116      -0.2021      0.00000
    117       0.2521      0.00000
    118       0.2787      0.00000
    119       0.7588      0.00000
    120       0.9439      0.00000
    121       1.1316      0.00000
    122       1.2256      0.00000
    123       1.3197      0.00000
    124       1.4110      0.00000
    125       1.5997      0.00000
    126       1.6331      0.00000
    127       1.6994      0.00000
    128       1.8233      0.00000
    129       1.9173      0.00000
    130       2.0104      0.00000
    131       2.1107      0.00000
    132       2.3296      0.00000
    133       2.3955      0.00000
    134       2.4313      0.00000
    135       2.5392      0.00000
    136       2.6335      0.00000
    137       2.7584      0.00000
    138       2.8222      0.00000
    139       2.8315      0.00000
    140       2.8884      0.00000
    141       3.0442      0.00000
    142       3.0890      0.00000
    143       3.1847      0.00000
    144       3.2378      0.00000
    145       3.3861      0.00000
    146       3.4214      0.00000
    147       3.4817      0.00000
    148       3.5758      0.00000
    149       3.6002      0.00000
    150       3.6268      0.00000
    151       3.6502      0.00000
    152       3.7415      0.00000
    153       3.7712      0.00000
    154       3.7861      0.00000
    155       3.8097      0.00000
    156       3.8944      0.00000
    157       3.9763      0.00000
    158       4.0072      0.00000
    159       4.1756      0.00000
    160       4.2387      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     -21.8241      1.00000
      4     -21.3127      1.00000
      5     -21.2823      1.00000
      6     -20.7712      1.00000
      7     -20.7056      1.00000
      8     -20.5570      1.00000
      9     -20.0099      1.00000
     10     -20.0020      1.00000
     11     -19.6488      1.00000
     12     -19.6243      1.00000
     13     -18.9305      1.00000
     14     -18.9215      1.00000
     15     -18.5711      1.00000
     16     -18.5576      1.00000
     17     -18.3946      1.00000
     18     -17.6158      1.00000
     19     -17.5592      1.00000
     20     -17.5541      1.00000
     21     -17.5128      1.00000
     22     -17.0563      1.00000
     23     -17.0390      1.00000
     24     -16.8918      1.00000
     25     -15.9300      1.00000
     26     -15.8686      1.00000
     27     -15.5167      1.00000
     28     -15.5164      1.00000
     29     -15.2294      1.00000
     30     -14.7949      1.00000
     31     -14.7680      1.00000
     32     -14.5159      1.00000
     33     -14.4717      1.00000
     34     -14.1027      1.00000
     35     -14.0914      1.00000
     36     -13.0766      1.00000
     37     -13.0334      1.00000
     38     -12.9676      1.00000
     39     -12.9551      1.00000
     40     -12.6461      1.00000
     41     -12.6389      1.00000
     42     -12.2749      1.00000
     43     -12.2435      1.00000
     44     -11.5885      1.00000
     45     -11.5613      1.00000
     46     -11.5075      1.00000
     47     -10.9057      1.00000
     48     -10.8517      1.00000
     49     -10.6231      1.00000
     50     -10.5592      1.00000
     51     -10.4851      1.00000
     52     -10.4343      1.00000
     53     -10.4244      1.00000
     54     -10.3711      1.00000
     55     -10.2941      1.00000
     56     -10.0663      1.00000
     57      -9.8339      1.00000
     58      -9.5485      1.00000
     59      -9.4887      1.00000
     60      -9.4725      1.00000
     61      -9.3469      1.00000
     62      -9.3314      1.00000
     63      -9.3108      1.00000
     64      -9.3086      1.00000
     65      -9.2149      1.00000
     66      -9.1130      1.00000
     67      -9.0812      1.00000
     68      -9.0508      1.00000
     69      -8.8497      1.00000
     70      -8.7933      1.00000
     71      -8.7751      1.00000
     72      -8.5277      1.00000
     73      -8.4766      1.00000
     74      -8.2241      1.00000
     75      -8.1115      1.00000
     76      -8.0999      1.00000
     77      -7.8083      1.00000
     78      -7.7834      1.00000
     79      -7.7819      1.00000
     80      -7.6746      1.00000
     81      -7.6318      1.00000
     82      -7.6311      1.00000
     83      -7.3998      1.00000
     84      -7.3251      1.00000
     85      -7.1971      1.00000
     86      -6.8404      1.00000
     87      -6.8295      1.00000
     88      -6.6624      1.00000
     89      -6.5391      1.00000
     90      -6.3445      1.00000
     91      -6.3077      1.00000
     92      -6.1848      1.00000
     93      -6.1485      1.00000
     94      -5.9778      1.00000
     95      -5.5724      1.00000
     96      -5.4265      1.00000
     97      -5.2590      1.00000
     98      -5.2510      1.00000
     99      -5.1495      1.00000
    100      -4.6959      1.00000
    101      -4.6654      1.00000
    102      -4.3493      1.00000
    103      -4.3160      1.00000
    104      -3.9646      1.00000
    105      -3.8308      1.00000
    106      -3.3897      1.00000
    107      -2.2210      0.00000
    108      -1.3777      0.00000
    109      -1.2870      0.00000
    110      -1.1732      0.00000
    111      -1.0779      0.00000
    112      -0.8935      0.00000
    113      -0.7680      0.00000
    114      -0.7575      0.00000
    115      -0.2178      0.00000
    116       0.1125      0.00000
    117       0.2635      0.00000
    118       0.3459      0.00000
    119       0.7326      0.00000
    120       0.9038      0.00000
    121       0.9712      0.00000
    122       1.0934      0.00000
    123       1.2065      0.00000
    124       1.5286      0.00000
    125       1.5618      0.00000
    126       1.7128      0.00000
    127       1.8383      0.00000
    128       1.8620      0.00000
    129       1.9703      0.00000
    130       1.9958      0.00000
    131       2.1606      0.00000
    132       2.2664      0.00000
    133       2.4546      0.00000
    134       2.4689      0.00000
    135       2.5082      0.00000
    136       2.6659      0.00000
    137       2.6855      0.00000
    138       2.7308      0.00000
    139       2.7449      0.00000
    140       2.8918      0.00000
    141       3.0211      0.00000
    142       3.0837      0.00000
    143       3.1967      0.00000
    144       3.2537      0.00000
    145       3.2593      0.00000
    146       3.2684      0.00000
    147       3.3607      0.00000
    148       3.4822      0.00000
    149       3.5271      0.00000
    150       3.6965      0.00000
    151       3.7526      0.00000
    152       3.7701      0.00000
    153       3.8359      0.00000
    154       3.8786      0.00000
    155       3.9420      0.00000
    156       3.9853      0.00000
    157       4.0246      0.00000
    158       4.0498      0.00000
    159       4.0566      0.00000
    160       4.1196      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1430      1.00000
      2     -22.0477      1.00000
      3     -21.8876      1.00000
      4     -21.3356      1.00000
      5     -20.9827      1.00000
      6     -20.9442      1.00000
      7     -20.4343      1.00000
      8     -20.3916      1.00000
      9     -20.2275      1.00000
     10     -20.2061      1.00000
     11     -19.8900      1.00000
     12     -19.8223      1.00000
     13     -18.8158      1.00000
     14     -18.7445      1.00000
     15     -18.2909      1.00000
     16     -18.2372      1.00000
     17     -18.0865      1.00000
     18     -18.0666      1.00000
     19     -17.7625      1.00000
     20     -17.7199      1.00000
     21     -17.1896      1.00000
     22     -17.1706      1.00000
     23     -17.1004      1.00000
     24     -17.0645      1.00000
     25     -16.0387      1.00000
     26     -15.8242      1.00000
     27     -15.8006      1.00000
     28     -15.7650      1.00000
     29     -15.1745      1.00000
     30     -14.4921      1.00000
     31     -14.4592      1.00000
     32     -14.2185      1.00000
     33     -13.8958      1.00000
     34     -13.8909      1.00000
     35     -13.7567      1.00000
     36     -13.7364      1.00000
     37     -13.5526      1.00000
     38     -13.5037      1.00000
     39     -13.3010      1.00000
     40     -12.5652      1.00000
     41     -12.1262      1.00000
     42     -12.0667      1.00000
     43     -12.0112      1.00000
     44     -11.9524      1.00000
     45     -11.6117      1.00000
     46     -11.5887      1.00000
     47     -11.0861      1.00000
     48     -11.0526      1.00000
     49     -10.7543      1.00000
     50     -10.6647      1.00000
     51     -10.5277      1.00000
     52     -10.1492      1.00000
     53     -10.1394      1.00000
     54     -10.0968      1.00000
     55      -9.9538      1.00000
     56      -9.9486      1.00000
     57      -9.9180      1.00000
     58      -9.7385      1.00000
     59      -9.7318      1.00000
     60      -9.7017      1.00000
     61      -9.6910      1.00000
     62      -9.4305      1.00000
     63      -9.3641      1.00000
     64      -9.0876      1.00000
     65      -9.0073      1.00000
     66      -8.9755      1.00000
     67      -8.8888      1.00000
     68      -8.8119      1.00000
     69      -8.6590      1.00000
     70      -8.6356      1.00000
     71      -8.5802      1.00000
     72      -8.4792      1.00000
     73      -8.4686      1.00000
     74      -8.3989      1.00000
     75      -8.3950      1.00000
     76      -8.1844      1.00000
     77      -8.1155      1.00000
     78      -7.9777      1.00000
     79      -7.9167      1.00000
     80      -7.8474      1.00000
     81      -7.6187      1.00000
     82      -7.5309      1.00000
     83      -7.4696      1.00000
     84      -7.2522      1.00000
     85      -6.9347      1.00000
     86      -6.8583      1.00000
     87      -6.8115      1.00000
     88      -6.5751      1.00000
     89      -6.4679      1.00000
     90      -6.4209      1.00000
     91      -6.3571      1.00000
     92      -6.0527      1.00000
     93      -5.8780      1.00000
     94      -5.7534      1.00000
     95      -5.7222      1.00000
     96      -5.4774      1.00000
     97      -5.3463      1.00000
     98      -5.1807      1.00000
     99      -5.1566      1.00000
    100      -5.1550      1.00000
    101      -4.7080      1.00000
    102      -4.4409      1.00000
    103      -4.2561      1.00000
    104      -3.9961      1.00000
    105      -3.8296      1.00000
    106      -3.1564      1.00000
    107      -2.4636      0.00000
    108      -1.3792      0.00000
    109      -1.2420      0.00000
    110      -1.1461      0.00000
    111      -1.1149      0.00000
    112      -0.5637      0.00000
    113      -0.4348      0.00000
    114      -0.4299      0.00000
    115      -0.3107      0.00000
    116      -0.1898      0.00000
    117       0.0617      0.00000
    118       0.1171      0.00000
    119       0.5397      0.00000
    120       0.6838      0.00000
    121       0.8700      0.00000
    122       0.9663      0.00000
    123       1.1096      0.00000
    124       1.4939      0.00000
    125       1.6602      0.00000
    126       1.8010      0.00000
    127       1.8735      0.00000
    128       2.0911      0.00000
    129       2.1446      0.00000
    130       2.1954      0.00000
    131       2.2145      0.00000
    132       2.3399      0.00000
    133       2.3634      0.00000
    134       2.4866      0.00000
    135       2.5795      0.00000
    136       2.6674      0.00000
    137       2.8784      0.00000
    138       2.9376      0.00000
    139       2.9650      0.00000
    140       2.9968      0.00000
    141       3.0409      0.00000
    142       3.1494      0.00000
    143       3.1836      0.00000
    144       3.2461      0.00000
    145       3.2892      0.00000
    146       3.3320      0.00000
    147       3.3489      0.00000
    148       3.3790      0.00000
    149       3.4108      0.00000
    150       3.4952      0.00000
    151       3.5498      0.00000
    152       3.6317      0.00000
    153       3.6962      0.00000
    154       3.7085      0.00000
    155       3.7253      0.00000
    156       3.9195      0.00000
    157       3.9371      0.00000
    158       4.0559      0.00000
    159       4.0868      0.00000
    160       4.1996      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     -20.7725      1.00000
      7     -20.7034      1.00000
      8     -20.5555      1.00000
      9     -20.0237      1.00000
     10     -19.9913      1.00000
     11     -19.6512      1.00000
     12     -19.6201      1.00000
     13     -18.9443      1.00000
     14     -18.9094      1.00000
     15     -18.5848      1.00000
     16     -18.5474      1.00000
     17     -18.3929      1.00000
     18     -17.6027      1.00000
     19     -17.5714      1.00000
     20     -17.5420      1.00000
     21     -17.5091      1.00000
     22     -17.0753      1.00000
     23     -17.0281      1.00000
     24     -16.9008      1.00000
     25     -15.9463      1.00000
     26     -15.8519      1.00000
     27     -15.5341      1.00000
     28     -15.5074      1.00000
     29     -15.2098      1.00000
     30     -14.8148      1.00000
     31     -14.7621      1.00000
     32     -14.5103      1.00000
     33     -14.4683      1.00000
     34     -14.0968      1.00000
     35     -14.0937      1.00000
     36     -13.1059      1.00000
     37     -13.0305      1.00000
     38     -12.9573      1.00000
     39     -12.9500      1.00000
     40     -12.6566      1.00000
     41     -12.6280      1.00000
     42     -12.2750      1.00000
     43     -12.2478      1.00000
     44     -11.5737      1.00000
     45     -11.5540      1.00000
     46     -11.5012      1.00000
     47     -10.8791      1.00000
     48     -10.8694      1.00000
     49     -10.6838      1.00000
     50     -10.5259      1.00000
     51     -10.5207      1.00000
     52     -10.4340      1.00000
     53     -10.4168      1.00000
     54     -10.3708      1.00000
     55     -10.2888      1.00000
     56     -10.0618      1.00000
     57      -9.8326      1.00000
     58      -9.5601      1.00000
     59      -9.4852      1.00000
     60      -9.4458      1.00000
     61      -9.3560      1.00000
     62      -9.3400      1.00000
     63      -9.3085      1.00000
     64      -9.3032      1.00000
     65      -9.2067      1.00000
     66      -9.0998      1.00000
     67      -9.0687      1.00000
     68      -9.0496      1.00000
     69      -8.8529      1.00000
     70      -8.7972      1.00000
     71      -8.7789      1.00000
     72      -8.5275      1.00000
     73      -8.4981      1.00000
     74      -8.2291      1.00000
     75      -8.1298      1.00000
     76      -8.0938      1.00000
     77      -7.8073      1.00000
     78      -7.7680      1.00000
     79      -7.7399      1.00000
     80      -7.7045      1.00000
     81      -7.6365      1.00000
     82      -7.6247      1.00000
     83      -7.3875      1.00000
     84      -7.3442      1.00000
     85      -7.2168      1.00000
     86      -6.8440      1.00000
     87      -6.8208      1.00000
     88      -6.6406      1.00000
     89      -6.5296      1.00000
     90      -6.3421      1.00000
     91      -6.2732      1.00000
     92      -6.1959      1.00000
     93      -6.1321      1.00000
     94      -6.0217      1.00000
     95      -5.6376      1.00000
     96      -5.5088      1.00000
     97      -5.2981      1.00000
     98      -5.1563      1.00000
     99      -5.0403      1.00000
    100      -4.7268      1.00000
    101      -4.6858      1.00000
    102      -4.3683      1.00000
    103      -4.1858      1.00000
    104      -4.0091      1.00000
    105      -3.8291      1.00000
    106      -3.4846      1.00000
    107      -2.1645      0.00000
    108      -1.3836      0.00000
    109      -1.2364      0.00000
    110      -1.1847      0.00000
    111      -1.0142      0.00000
    112      -0.9564      0.00000
    113      -0.7978      0.00000
    114      -0.7524      0.00000
    115      -0.3652      0.00000
    116       0.2448      0.00000
    117       0.2765      0.00000
    118       0.3645      0.00000
    119       0.6987      0.00000
    120       0.8683      0.00000
    121       0.9656      0.00000
    122       1.1252      0.00000
    123       1.2344      0.00000
    124       1.4542      0.00000
    125       1.5537      0.00000
    126       1.7814      0.00000
    127       1.8506      0.00000
    128       1.8836      0.00000
    129       1.9846      0.00000
    130       2.0300      0.00000
    131       2.1982      0.00000
    132       2.2092      0.00000
    133       2.4011      0.00000
    134       2.4584      0.00000
    135       2.5528      0.00000
    136       2.6579      0.00000
    137       2.6846      0.00000
    138       2.7276      0.00000
    139       2.7690      0.00000
    140       2.8524      0.00000
    141       2.9645      0.00000
    142       3.0816      0.00000
    143       3.1917      0.00000
    144       3.2406      0.00000
    145       3.2563      0.00000
    146       3.2957      0.00000
    147       3.3347      0.00000
    148       3.4807      0.00000
    149       3.5080      0.00000
    150       3.7110      0.00000
    151       3.7219      0.00000
    152       3.7698      0.00000
    153       3.8599      0.00000
    154       3.8731      0.00000
    155       3.8998      0.00000
    156       3.9971      0.00000
    157       4.0025      0.00000
    158       4.0548      0.00000
    159       4.0645      0.00000
    160       4.0877      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3207      1.00000
      2     -21.7626      1.00000
      3     -21.5688      1.00000
      4     -21.5415      1.00000
      5     -21.2062      1.00000
      6     -21.1670      1.00000
      7     -20.9867      1.00000
      8     -20.0998      1.00000
      9     -20.0606      1.00000
     10     -19.5475      1.00000
     11     -19.5268      1.00000
     12     -19.3457      1.00000
     13     -19.0293      1.00000
     14     -18.9891      1.00000
     15     -18.9784      1.00000
     16     -18.9723      1.00000
     17     -18.2970      1.00000
     18     -18.2831      1.00000
     19     -17.9471      1.00000
     20     -17.0014      1.00000
     21     -16.9603      1.00000
     22     -16.8835      1.00000
     23     -16.8703      1.00000
     24     -16.4167      1.00000
     25     -16.3942      1.00000
     26     -15.5416      1.00000
     27     -15.5383      1.00000
     28     -15.1732      1.00000
     29     -15.1722      1.00000
     30     -15.1322      1.00000
     31     -15.0377      1.00000
     32     -15.0015      1.00000
     33     -14.6340      1.00000
     34     -14.6273      1.00000
     35     -13.6633      1.00000
     36     -13.6538      1.00000
     37     -13.1720      1.00000
     38     -12.5746      1.00000
     39     -12.5136      1.00000
     40     -12.3865      1.00000
     41     -12.3863      1.00000
     42     -12.0356      1.00000
     43     -12.0319      1.00000
     44     -11.6555      1.00000
     45     -11.6153      1.00000
     46     -11.2079      1.00000
     47     -11.1574      1.00000
     48     -10.9563      1.00000
     49     -10.9430      1.00000
     50     -10.8610      1.00000
     51     -10.8288      1.00000
     52     -10.6264      1.00000
     53     -10.1479      1.00000
     54     -10.0854      1.00000
     55     -10.0262      1.00000
     56      -9.9469      1.00000
     57      -9.6322      1.00000
     58      -9.6299      1.00000
     59      -9.6038      1.00000
     60      -9.5411      1.00000
     61      -9.5042      1.00000
     62      -9.4793      1.00000
     63      -9.2739      1.00000
     64      -9.2362      1.00000
     65      -9.2081      1.00000
     66      -9.1800      1.00000
     67      -9.0630      1.00000
     68      -9.0477      1.00000
     69      -9.0443      1.00000
     70      -8.8777      1.00000
     71      -8.8092      1.00000
     72      -8.5380      1.00000
     73      -8.5328      1.00000
     74      -8.5032      1.00000
     75      -8.0320      1.00000
     76      -7.8322      1.00000
     77      -7.8017      1.00000
     78      -7.7745      1.00000
     79      -7.7046      1.00000
     80      -7.6847      1.00000
     81      -7.4106      1.00000
     82      -7.2893      1.00000
     83      -7.2519      1.00000
     84      -7.2039      1.00000
     85      -7.0825      1.00000
     86      -7.0738      1.00000
     87      -6.9381      1.00000
     88      -6.7124      1.00000
     89      -6.6749      1.00000
     90      -6.6295      1.00000
     91      -6.5574      1.00000
     92      -6.0724      1.00000
     93      -6.0324      1.00000
     94      -6.0015      1.00000
     95      -5.9375      1.00000
     96      -5.8008      1.00000
     97      -5.1818      1.00000
     98      -4.8948      1.00000
     99      -4.7941      1.00000
    100      -4.6113      1.00000
    101      -4.5125      1.00000
    102      -4.1407      1.00000
    103      -4.0922      1.00000
    104      -3.9313      1.00000
    105      -3.9166      1.00000
    106      -3.8283      1.00000
    107      -1.7518      0.00000
    108      -1.6962      0.00000
    109      -1.4102      0.00000
    110      -1.3723      0.00000
    111      -1.2647      0.00000
    112      -1.2359      0.00000
    113      -0.6236      0.00000
    114      -0.5990      0.00000
    115      -0.1901      0.00000
    116       0.0426      0.00000
    117       0.5825      0.00000
    118       0.7405      0.00000
    119       0.8497      0.00000
    120       0.9273      0.00000
    121       1.1676      0.00000
    122       1.2104      0.00000
    123       1.2457      0.00000
    124       1.4180      0.00000
    125       1.5978      0.00000
    126       1.6365      0.00000
    127       1.7031      0.00000
    128       1.8059      0.00000
    129       1.9229      0.00000
    130       1.9398      0.00000
    131       2.1469      0.00000
    132       2.1714      0.00000
    133       2.2606      0.00000
    134       2.3000      0.00000
    135       2.5406      0.00000
    136       2.5569      0.00000
    137       2.6390      0.00000
    138       2.7597      0.00000
    139       2.8109      0.00000
    140       2.8481      0.00000
    141       2.8937      0.00000
    142       2.9434      0.00000
    143       3.0130      0.00000
    144       3.0267      0.00000
    145       3.0859      0.00000
    146       3.3100      0.00000
    147       3.3713      0.00000
    148       3.4199      0.00000
    149       3.4789      0.00000
    150       3.6073      0.00000
    151       3.6575      0.00000
    152       3.6679      0.00000
    153       3.6794      0.00000
    154       3.8907      0.00000
    155       3.9786      0.00000
    156       4.0248      0.00000
    157       4.0721      0.00000
    158       4.2369      0.00000
    159       4.2570      0.00000
    160       4.2652      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1420      1.00000
      2     -22.0493      1.00000
      3     -21.8871      1.00000
      4     -21.3365      1.00000
      5     -20.9778      1.00000
      6     -20.9482      1.00000
      7     -20.4291      1.00000
      8     -20.3970      1.00000
      9     -20.2172      1.00000
     10     -20.2149      1.00000
     11     -19.8887      1.00000
     12     -19.8250      1.00000
     13     -18.8186      1.00000
     14     -18.7479      1.00000
     15     -18.2665      1.00000
     16     -18.2529      1.00000
     17     -18.0813      1.00000
     18     -18.0743      1.00000
     19     -17.7466      1.00000
     20     -17.7313      1.00000
     21     -17.1960      1.00000
     22     -17.1721      1.00000
     23     -17.0894      1.00000
     24     -17.0688      1.00000
     25     -16.0554      1.00000
     26     -15.8093      1.00000
     27     -15.7997      1.00000
     28     -15.7784      1.00000
     29     -15.1597      1.00000
     30     -14.4865      1.00000
     31     -14.4650      1.00000
     32     -14.2047      1.00000
     33     -13.9179      1.00000
     34     -13.8876      1.00000
     35     -13.7600      1.00000
     36     -13.7395      1.00000
     37     -13.5367      1.00000
     38     -13.5113      1.00000
     39     -13.3025      1.00000
     40     -12.5780      1.00000
     41     -12.1016      1.00000
     42     -12.0780      1.00000
     43     -11.9991      1.00000
     44     -11.9518      1.00000
     45     -11.6069      1.00000
     46     -11.5989      1.00000
     47     -11.0858      1.00000
     48     -11.0615      1.00000
     49     -10.7327      1.00000
     50     -10.6653      1.00000
     51     -10.5607      1.00000
     52     -10.1407      1.00000
     53     -10.1363      1.00000
     54     -10.1016      1.00000
     55      -9.9672      1.00000
     56      -9.9261      1.00000
     57      -9.9223      1.00000
     58      -9.7523      1.00000
     59      -9.7300      1.00000
     60      -9.6982      1.00000
     61      -9.6952      1.00000
     62      -9.4024      1.00000
     63      -9.3898      1.00000
     64      -9.0705      1.00000
     65      -8.9832      1.00000
     66      -8.9823      1.00000
     67      -8.9062      1.00000
     68      -8.8126      1.00000
     69      -8.6509      1.00000
     70      -8.6344      1.00000
     71      -8.5503      1.00000
     72      -8.5023      1.00000
     73      -8.4832      1.00000
     74      -8.3947      1.00000
     75      -8.3834      1.00000
     76      -8.2104      1.00000
     77      -8.1032      1.00000
     78      -8.0075      1.00000
     79      -7.9030      1.00000
     80      -7.8450      1.00000
     81      -7.6220      1.00000
     82      -7.5341      1.00000
     83      -7.4567      1.00000
     84      -7.2493      1.00000
     85      -6.9442      1.00000
     86      -6.8697      1.00000
     87      -6.8108      1.00000
     88      -6.4783      1.00000
     89      -6.4686      1.00000
     90      -6.4099      1.00000
     91      -6.3605      1.00000
     92      -6.1913      1.00000
     93      -5.8586      1.00000
     94      -5.7381      1.00000
     95      -5.7116      1.00000
     96      -5.5240      1.00000
     97      -5.3296      1.00000
     98      -5.1725      1.00000
     99      -5.1679      1.00000
    100      -5.1345      1.00000
    101      -4.6960      1.00000
    102      -4.3487      1.00000
    103      -4.2814      1.00000
    104      -4.0292      1.00000
    105      -3.8306      1.00000
    106      -3.2338      1.00000
    107      -2.4052      0.00000
    108      -1.3455      0.00000
    109      -1.2446      0.00000
    110      -1.1531      0.00000
    111      -1.1086      0.00000
    112      -0.5827      0.00000
    113      -0.5224      0.00000
    114      -0.4341      0.00000
    115      -0.2749      0.00000
    116      -0.0705      0.00000
    117      -0.0112      0.00000
    118       0.0597      0.00000
    119       0.5832      0.00000
    120       0.7105      0.00000
    121       0.8087      0.00000
    122       0.9421      0.00000
    123       1.1814      0.00000
    124       1.5072      0.00000
    125       1.6189      0.00000
    126       1.8573      0.00000
    127       2.0030      0.00000
    128       2.0495      0.00000
    129       2.1110      0.00000
    130       2.1539      0.00000
    131       2.2669      0.00000
    132       2.2856      0.00000
    133       2.3494      0.00000
    134       2.4613      0.00000
    135       2.6096      0.00000
    136       2.6994      0.00000
    137       2.8172      0.00000
    138       2.9148      0.00000
    139       2.9421      0.00000
    140       3.0160      0.00000
    141       3.0494      0.00000
    142       3.1556      0.00000
    143       3.1655      0.00000
    144       3.2270      0.00000
    145       3.2984      0.00000
    146       3.3098      0.00000
    147       3.3524      0.00000
    148       3.3722      0.00000
    149       3.4151      0.00000
    150       3.4443      0.00000
    151       3.5612      0.00000
    152       3.6109      0.00000
    153       3.7053      0.00000
    154       3.7249      0.00000
    155       3.8454      0.00000
    156       3.9050      0.00000
    157       3.9305      0.00000
    158       3.9607      0.00000
    159       4.1450      0.00000
    160       4.1799      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2147      1.00000
      2     -22.0096      1.00000
      3     -21.6475      1.00000
      4     -21.6161      1.00000
      5     -20.9112      1.00000
      6     -20.8702      1.00000
      7     -20.5404      1.00000
      8     -20.5078      1.00000
      9     -20.5008      1.00000
     10     -19.9635      1.00000
     11     -19.4424      1.00000
     12     -19.4197      1.00000
     13     -19.2412      1.00000
     14     -19.2337      1.00000
     15     -18.3773      1.00000
     16     -18.3420      1.00000
     17     -17.8601      1.00000
     18     -17.8435      1.00000
     19     -17.6925      1.00000
     20     -17.6563      1.00000
     21     -17.3735      1.00000
     22     -17.3588      1.00000
     23     -17.2681      1.00000
     24     -16.4144      1.00000
     25     -16.3910      1.00000
     26     -15.9060      1.00000
     27     -15.3444      1.00000
     28     -15.3397      1.00000
     29     -15.0319      1.00000
     30     -15.0224      1.00000
     31     -14.7767      1.00000
     32     -14.7751      1.00000
     33     -14.2392      1.00000
     34     -14.1876      1.00000
     35     -13.3893      1.00000
     36     -13.3339      1.00000
     37     -13.1118      1.00000
     38     -13.1040      1.00000
     39     -12.9193      1.00000
     40     -12.9134      1.00000
     41     -12.5459      1.00000
     42     -12.5386      1.00000
     43     -12.1346      1.00000
     44     -11.5144      1.00000
     45     -11.4701      1.00000
     46     -11.2454      1.00000
     47     -11.2140      1.00000
     48     -11.0876      1.00000
     49     -10.7081      1.00000
     50     -10.5959      1.00000
     51     -10.5101      1.00000
     52     -10.2525      1.00000
     53     -10.2485      1.00000
     54     -10.1223      1.00000
     55     -10.0545      1.00000
     56     -10.0402      1.00000
     57      -9.7862      1.00000
     58      -9.6881      1.00000
     59      -9.6746      1.00000
     60      -9.6387      1.00000
     61      -9.6289      1.00000
     62      -9.5865      1.00000
     63      -9.2967      1.00000
     64      -9.2847      1.00000
     65      -9.2536      1.00000
     66      -9.0673      1.00000
     67      -8.8953      1.00000
     68      -8.8850      1.00000
     69      -8.7193      1.00000
     70      -8.5832      1.00000
     71      -8.5267      1.00000
     72      -8.3517      1.00000
     73      -8.3053      1.00000
     74      -8.2437      1.00000
     75      -8.2389      1.00000
     76      -8.1946      1.00000
     77      -8.1826      1.00000
     78      -8.1701      1.00000
     79      -8.1107      1.00000
     80      -7.6908      1.00000
     81      -7.4150      1.00000
     82      -7.3456      1.00000
     83      -7.2586      1.00000
     84      -7.1698      1.00000
     85      -7.1115      1.00000
     86      -7.0038      1.00000
     87      -6.9047      1.00000
     88      -6.8472      1.00000
     89      -6.5420      1.00000
     90      -6.4997      1.00000
     91      -6.2136      1.00000
     92      -6.2018      1.00000
     93      -5.8950      1.00000
     94      -5.6740      1.00000
     95      -5.6088      1.00000
     96      -5.5808      1.00000
     97      -5.2536      1.00000
     98      -5.2318      1.00000
     99      -5.1653      1.00000
    100      -5.1350      1.00000
    101      -4.5994      1.00000
    102      -4.2513      1.00000
    103      -4.0457      1.00000
    104      -3.8853      1.00000
    105      -3.8425      1.00000
    106      -3.8015      1.00000
    107      -1.8076      0.00000
    108      -1.7808      0.00000
    109      -1.2254      0.00000
    110      -1.1764      0.00000
    111      -0.9741      0.00000
    112      -0.7344      0.00000
    113      -0.6509      0.00000
    114      -0.5941      0.00000
    115      -0.5497      0.00000
    116      -0.1518      0.00000
    117       0.1755      0.00000
    118       0.2880      0.00000
    119       0.7042      0.00000
    120       0.9476      0.00000
    121       1.1686      0.00000
    122       1.2777      0.00000
    123       1.3446      0.00000
    124       1.5097      0.00000
    125       1.6066      0.00000
    126       1.6270      0.00000
    127       1.6914      0.00000
    128       1.7731      0.00000
    129       1.8602      0.00000
    130       2.0790      0.00000
    131       2.1648      0.00000
    132       2.3209      0.00000
    133       2.3914      0.00000
    134       2.4239      0.00000
    135       2.5536      0.00000
    136       2.6228      0.00000
    137       2.6874      0.00000
    138       2.7484      0.00000
    139       2.8165      0.00000
    140       2.9085      0.00000
    141       3.0529      0.00000
    142       3.0600      0.00000
    143       3.1816      0.00000
    144       3.2797      0.00000
    145       3.3774      0.00000
    146       3.4126      0.00000
    147       3.4587      0.00000
    148       3.5478      0.00000
    149       3.5747      0.00000
    150       3.6331      0.00000
    151       3.6621      0.00000
    152       3.7012      0.00000
    153       3.7875      0.00000
    154       3.8007      0.00000
    155       3.8225      0.00000
    156       3.8914      0.00000
    157       3.9075      0.00000
    158       3.9772      0.00000
    159       4.1889      0.00000
    160       4.2304      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     -21.5377      1.00000
      3     -21.4080      1.00000
      4     -21.4068      1.00000
      5     -21.3758      1.00000
      6     -21.3666      1.00000
      7     -21.3594      1.00000
      8     -19.6476      1.00000
      9     -19.5729      1.00000
     10     -19.5657      1.00000
     11     -19.5591      1.00000
     12     -19.5412      1.00000
     13     -19.5385      1.00000
     14     -18.7292      1.00000
     15     -18.6803      1.00000
     16     -18.6727      1.00000
     17     -18.6592      1.00000
     18     -18.6441      1.00000
     19     -18.6426      1.00000
     20     -16.5869      1.00000
     21     -16.5269      1.00000
     22     -16.5246      1.00000
     23     -16.5120      1.00000
     24     -16.4874      1.00000
     25     -16.4858      1.00000
     26     -15.5603      1.00000
     27     -15.5273      1.00000
     28     -15.5264      1.00000
     29     -15.5000      1.00000
     30     -15.4952      1.00000
     31     -15.4894      1.00000
     32     -14.2073      1.00000
     33     -14.1807      1.00000
     34     -14.1685      1.00000
     35     -14.1656      1.00000
     36     -14.1605      1.00000
     37     -14.1495      1.00000
     38     -11.8857      1.00000
     39     -11.8093      1.00000
     40     -11.7926      1.00000
     41     -11.7924      1.00000
     42     -11.7889      1.00000
     43     -11.7830      1.00000
     44     -11.7054      1.00000
     45     -11.6991      1.00000
     46     -11.6733      1.00000
     47     -11.6585      1.00000
     48     -11.6583      1.00000
     49     -11.6516      1.00000
     50     -10.6752      1.00000
     51     -10.3299      1.00000
     52     -10.3216      1.00000
     53     -10.3061      1.00000
     54     -10.3052      1.00000
     55     -10.2918      1.00000
     56     -10.2787      1.00000
     57      -9.9289      1.00000
     58      -9.3736      1.00000
     59      -9.3598      1.00000
     60      -9.3008      1.00000
     61      -9.2925      1.00000
     62      -9.2859      1.00000
     63      -9.0939      1.00000
     64      -9.0549      1.00000
     65      -9.0502      1.00000
     66      -9.0268      1.00000
     67      -9.0082      1.00000
     68      -9.0024      1.00000
     69      -9.0016      1.00000
     70      -8.9954      1.00000
     71      -8.9926      1.00000
     72      -8.9720      1.00000
     73      -8.9647      1.00000
     74      -8.9553      1.00000
     75      -8.5028      1.00000
     76      -7.5121      1.00000
     77      -7.4123      1.00000
     78      -7.4107      1.00000
     79      -7.4008      1.00000
     80      -7.3838      1.00000
     81      -7.3652      1.00000
     82      -7.3409      1.00000
     83      -7.3102      1.00000
     84      -7.2700      1.00000
     85      -7.2065      1.00000
     86      -7.1806      1.00000
     87      -7.1804      1.00000
     88      -7.0729      1.00000
     89      -6.5094      1.00000
     90      -6.4617      1.00000
     91      -6.3554      1.00000
     92      -6.2937      1.00000
     93      -6.2884      1.00000
     94      -6.2870      1.00000
     95      -5.8981      1.00000
     96      -5.8849      1.00000
     97      -5.0490      1.00000
     98      -4.9361      1.00000
     99      -4.5392      1.00000
    100      -4.3415      1.00000
    101      -4.3184      1.00000
    102      -4.3175      1.00000
    103      -4.1160      1.00000
    104      -3.9127      1.00000
    105      -3.9017      1.00000
    106      -3.8344      1.00000
    107      -1.6821      0.00000
    108      -1.6694      0.00000
    109      -1.5363      0.00000
    110      -1.5351      0.00000
    111      -1.5228      0.00000
    112      -1.5092      0.00000
    113      -0.5852      0.00000
    114       0.1330      0.00000
    115       0.2063      0.00000
    116       0.3245      0.00000
    117       0.3264      0.00000
    118       0.3336      0.00000
    119       0.4960      0.00000
    120       0.5942      0.00000
    121       1.2588      0.00000
    122       1.2719      0.00000
    123       1.5241      0.00000
    124       1.7963      0.00000
    125       1.8025      0.00000
    126       1.8055      0.00000
    127       1.8103      0.00000
    128       1.9448      0.00000
    129       1.9780      0.00000
    130       2.0317      0.00000
    131       2.0457      0.00000
    132       2.0509      0.00000
    133       2.0548      0.00000
    134       2.0586      0.00000
    135       2.3041      0.00000
    136       2.3246      0.00000
    137       2.6101      0.00000
    138       2.6168      0.00000
    139       2.6452      0.00000
    140       2.7253      0.00000
    141       2.8605      0.00000
    142       3.0274      0.00000
    143       3.0551      0.00000
    144       3.0897      0.00000
    145       3.0967      0.00000
    146       3.1019      0.00000
    147       3.1045      0.00000
    148       3.2309      0.00000
    149       3.4480      0.00000
    150       3.5384      0.00000
    151       3.7878      0.00000
    152       3.9459      0.00000
    153       3.9504      0.00000
    154       3.9558      0.00000
    155       3.9619      0.00000
    156       3.9972      0.00000
    157       4.1802      0.00000
    158       4.2654      0.00000
    159       4.2865      0.00000
    160       4.2872      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     -21.5716      1.00000
      4     -21.5387      1.00000
      5     -21.2087      1.00000
      6     -21.1637      1.00000
      7     -20.9881      1.00000
      8     -20.1027      1.00000
      9     -20.0584      1.00000
     10     -19.5472      1.00000
     11     -19.5224      1.00000
     12     -19.3500      1.00000
     13     -19.0257      1.00000
     14     -18.9903      1.00000
     15     -18.9820      1.00000
     16     -18.9700      1.00000
     17     -18.2982      1.00000
     18     -18.2788      1.00000
     19     -17.9528      1.00000
     20     -17.0105      1.00000
     21     -16.9603      1.00000
     22     -16.8793      1.00000
     23     -16.8693      1.00000
     24     -16.4056      1.00000
     25     -16.3906      1.00000
     26     -15.5530      1.00000
     27     -15.5365      1.00000
     28     -15.1986      1.00000
     29     -15.1698      1.00000
     30     -15.1154      1.00000
     31     -15.0285      1.00000
     32     -15.0033      1.00000
     33     -14.6370      1.00000
     34     -14.6252      1.00000
     35     -13.6682      1.00000
     36     -13.6527      1.00000
     37     -13.1703      1.00000
     38     -12.5520      1.00000
     39     -12.5180      1.00000
     40     -12.3918      1.00000
     41     -12.3787      1.00000
     42     -12.0581      1.00000
     43     -12.0351      1.00000
     44     -11.6602      1.00000
     45     -11.6180      1.00000
     46     -11.1815      1.00000
     47     -11.1572      1.00000
     48     -10.9659      1.00000
     49     -10.9414      1.00000
     50     -10.8746      1.00000
     51     -10.8380      1.00000
     52     -10.6039      1.00000
     53     -10.0943      1.00000
     54     -10.0892      1.00000
     55     -10.0470      1.00000
     56      -9.9718      1.00000
     57      -9.6552      1.00000
     58      -9.6299      1.00000
     59      -9.5928      1.00000
     60      -9.5302      1.00000
     61      -9.5114      1.00000
     62      -9.4796      1.00000
     63      -9.2654      1.00000
     64      -9.2418      1.00000
     65      -9.2217      1.00000
     66      -9.1670      1.00000
     67      -9.0691      1.00000
     68      -9.0475      1.00000
     69      -9.0415      1.00000
     70      -8.8835      1.00000
     71      -8.8071      1.00000
     72      -8.5792      1.00000
     73      -8.5232      1.00000
     74      -8.4629      1.00000
     75      -8.0356      1.00000
     76      -7.8123      1.00000
     77      -7.8075      1.00000
     78      -7.7935      1.00000
     79      -7.7010      1.00000
     80      -7.6911      1.00000
     81      -7.3612      1.00000
     82      -7.2745      1.00000
     83      -7.2651      1.00000
     84      -7.2152      1.00000
     85      -7.1727      1.00000
     86      -7.0088      1.00000
     87      -6.9480      1.00000
     88      -6.7474      1.00000
     89      -6.6728      1.00000
     90      -6.5943      1.00000
     91      -6.5597      1.00000
     92      -6.0510      1.00000
     93      -6.0478      1.00000
     94      -6.0221      1.00000
     95      -5.9594      1.00000
     96      -5.7368      1.00000
     97      -5.1567      1.00000
     98      -4.9895      1.00000
     99      -4.7190      1.00000
    100      -4.6114      1.00000
    101      -4.4406      1.00000
    102      -4.3740      1.00000
    103      -4.1225      1.00000
    104      -3.8684      1.00000
    105      -3.8343      1.00000
    106      -3.7909      1.00000
    107      -1.7861      0.00000
    108      -1.7389      0.00000
    109      -1.3947      0.00000
    110      -1.3466      0.00000
    111      -1.2644      0.00000
    112      -1.2258      0.00000
    113      -0.7452      0.00000
    114      -0.3791      0.00000
    115      -0.2208      0.00000
    116      -0.0183      0.00000
    117       0.5888      0.00000
    118       0.7359      0.00000
    119       0.7638      0.00000
    120       1.0495      0.00000
    121       1.1414      0.00000
    122       1.2498      0.00000
    123       1.2707      0.00000
    124       1.4133      0.00000
    125       1.4781      0.00000
    126       1.5831      0.00000
    127       1.7567      0.00000
    128       1.8400      0.00000
    129       1.8963      0.00000
    130       1.9583      0.00000
    131       2.1056      0.00000
    132       2.2329      0.00000
    133       2.2484      0.00000
    134       2.2944      0.00000
    135       2.4881      0.00000
    136       2.6131      0.00000
    137       2.6380      0.00000
    138       2.7653      0.00000
    139       2.7997      0.00000
    140       2.8580      0.00000
    141       2.8675      0.00000
    142       2.8926      0.00000
    143       2.9585      0.00000
    144       3.0800      0.00000
    145       3.2808      0.00000
    146       3.3049      0.00000
    147       3.3766      0.00000
    148       3.4085      0.00000
    149       3.4672      0.00000
    150       3.5880      0.00000
    151       3.6380      0.00000
    152       3.6703      0.00000
    153       3.7083      0.00000
    154       3.9061      0.00000
    155       3.9410      0.00000
    156       3.9813      0.00000
    157       4.0833      0.00000
    158       4.2023      0.00000
    159       4.2453      0.00000
    160       4.2970      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     -21.6503      1.00000
      4     -21.6131      1.00000
      5     -20.9139      1.00000
      6     -20.8675      1.00000
      7     -20.5467      1.00000
      8     -20.5072      1.00000
      9     -20.4968      1.00000
     10     -19.9645      1.00000
     11     -19.4435      1.00000
     12     -19.4162      1.00000
     13     -19.2424      1.00000
     14     -19.2280      1.00000
     15     -18.3850      1.00000
     16     -18.3407      1.00000
     17     -17.8609      1.00000
     18     -17.8398      1.00000
     19     -17.6987      1.00000
     20     -17.6560      1.00000
     21     -17.3729      1.00000
     22     -17.3568      1.00000
     23     -17.2752      1.00000
     24     -16.4020      1.00000
     25     -16.3871      1.00000
     26     -15.8972      1.00000
     27     -15.3537      1.00000
     28     -15.3379      1.00000
     29     -15.0357      1.00000
     30     -15.0217      1.00000
     31     -14.8003      1.00000
     32     -14.7756      1.00000
     33     -14.2228      1.00000
     34     -14.1903      1.00000
     35     -13.3719      1.00000
     36     -13.3376      1.00000
     37     -13.1208      1.00000
     38     -13.1031      1.00000
     39     -12.9172      1.00000
     40     -12.9037      1.00000
     41     -12.5576      1.00000
     42     -12.5395      1.00000
     43     -12.1339      1.00000
     44     -11.5230      1.00000
     45     -11.4749      1.00000
     46     -11.2547      1.00000
     47     -11.2207      1.00000
     48     -11.0802      1.00000
     49     -10.6606      1.00000
     50     -10.5894      1.00000
     51     -10.5244      1.00000
     52     -10.2584      1.00000
     53     -10.2499      1.00000
     54     -10.1236      1.00000
     55     -10.0493      1.00000
     56     -10.0419      1.00000
     57      -9.7709      1.00000
     58      -9.7058      1.00000
     59      -9.6808      1.00000
     60      -9.6313      1.00000
     61      -9.6270      1.00000
     62      -9.5885      1.00000
     63      -9.2953      1.00000
     64      -9.2859      1.00000
     65      -9.2542      1.00000
     66      -9.0900      1.00000
     67      -8.8977      1.00000
     68      -8.8844      1.00000
     69      -8.7255      1.00000
     70      -8.5906      1.00000
     71      -8.5149      1.00000
     72      -8.3316      1.00000
     73      -8.3032      1.00000
     74      -8.2652      1.00000
     75      -8.2337      1.00000
     76      -8.1954      1.00000
     77      -8.1869      1.00000
     78      -8.1714      1.00000
     79      -8.1041      1.00000
     80      -7.6892      1.00000
     81      -7.3544      1.00000
     82      -7.3106      1.00000
     83      -7.2642      1.00000
     84      -7.1876      1.00000
     85      -7.1248      1.00000
     86      -7.0772      1.00000
     87      -6.9076      1.00000
     88      -6.8828      1.00000
     89      -6.5502      1.00000
     90      -6.4929      1.00000
     91      -6.2105      1.00000
     92      -6.0703      1.00000
     93      -5.9425      1.00000
     94      -5.7157      1.00000
     95      -5.6334      1.00000
     96      -5.4527      1.00000
     97      -5.3055      1.00000
     98      -5.2345      1.00000
     99      -5.1526      1.00000
    100      -5.1520      1.00000
    101      -4.5233      1.00000
    102      -4.4706      1.00000
    103      -4.1430      1.00000
    104      -3.8374      1.00000
    105      -3.7575      1.00000
    106      -3.6800      1.00000
    107      -1.8717      0.00000
    108      -1.8244      0.00000
    109      -1.2773      0.00000
    110      -1.0368      0.00000
    111      -1.0117      0.00000
    112      -0.7126      0.00000
    113      -0.6403      0.00000
    114      -0.5884      0.00000
    115      -0.5460      0.00000
    116      -0.2021      0.00000
    117       0.2521      0.00000
    118       0.2787      0.00000
    119       0.7588      0.00000
    120       0.9439      0.00000
    121       1.1316      0.00000
    122       1.2256      0.00000
    123       1.3197      0.00000
    124       1.4110      0.00000
    125       1.5997      0.00000
    126       1.6331      0.00000
    127       1.6994      0.00000
    128       1.8233      0.00000
    129       1.9173      0.00000
    130       2.0104      0.00000
    131       2.1107      0.00000
    132       2.3296      0.00000
    133       2.3955      0.00000
    134       2.4313      0.00000
    135       2.5392      0.00000
    136       2.6335      0.00000
    137       2.7584      0.00000
    138       2.8222      0.00000
    139       2.8315      0.00000
    140       2.8884      0.00000
    141       3.0442      0.00000
    142       3.0890      0.00000
    143       3.1847      0.00000
    144       3.2378      0.00000
    145       3.3861      0.00000
    146       3.4214      0.00000
    147       3.4817      0.00000
    148       3.5758      0.00000
    149       3.6002      0.00000
    150       3.6268      0.00000
    151       3.6502      0.00000
    152       3.7415      0.00000
    153       3.7712      0.00000
    154       3.7861      0.00000
    155       3.8097      0.00000
    156       3.8944      0.00000
    157       3.9763      0.00000
    158       4.0072      0.00000
    159       4.1756      0.00000
    160       4.2387      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     -21.8241      1.00000
      4     -21.3127      1.00000
      5     -21.2823      1.00000
      6     -20.7712      1.00000
      7     -20.7056      1.00000
      8     -20.5570      1.00000
      9     -20.0099      1.00000
     10     -20.0020      1.00000
     11     -19.6488      1.00000
     12     -19.6243      1.00000
     13     -18.9305      1.00000
     14     -18.9215      1.00000
     15     -18.5711      1.00000
     16     -18.5576      1.00000
     17     -18.3946      1.00000
     18     -17.6158      1.00000
     19     -17.5592      1.00000
     20     -17.5541      1.00000
     21     -17.5128      1.00000
     22     -17.0563      1.00000
     23     -17.0390      1.00000
     24     -16.8918      1.00000
     25     -15.9300      1.00000
     26     -15.8686      1.00000
     27     -15.5167      1.00000
     28     -15.5164      1.00000
     29     -15.2294      1.00000
     30     -14.7949      1.00000
     31     -14.7680      1.00000
     32     -14.5159      1.00000
     33     -14.4717      1.00000
     34     -14.1027      1.00000
     35     -14.0914      1.00000
     36     -13.0766      1.00000
     37     -13.0334      1.00000
     38     -12.9676      1.00000
     39     -12.9551      1.00000
     40     -12.6461      1.00000
     41     -12.6389      1.00000
     42     -12.2749      1.00000
     43     -12.2435      1.00000
     44     -11.5885      1.00000
     45     -11.5613      1.00000
     46     -11.5075      1.00000
     47     -10.9057      1.00000
     48     -10.8517      1.00000
     49     -10.6231      1.00000
     50     -10.5592      1.00000
     51     -10.4851      1.00000
     52     -10.4343      1.00000
     53     -10.4244      1.00000
     54     -10.3711      1.00000
     55     -10.2941      1.00000
     56     -10.0663      1.00000
     57      -9.8339      1.00000
     58      -9.5485      1.00000
     59      -9.4887      1.00000
     60      -9.4725      1.00000
     61      -9.3469      1.00000
     62      -9.3314      1.00000
     63      -9.3108      1.00000
     64      -9.3086      1.00000
     65      -9.2149      1.00000
     66      -9.1130      1.00000
     67      -9.0812      1.00000
     68      -9.0508      1.00000
     69      -8.8497      1.00000
     70      -8.7933      1.00000
     71      -8.7751      1.00000
     72      -8.5277      1.00000
     73      -8.4766      1.00000
     74      -8.2241      1.00000
     75      -8.1115      1.00000
     76      -8.0999      1.00000
     77      -7.8083      1.00000
     78      -7.7834      1.00000
     79      -7.7819      1.00000
     80      -7.6746      1.00000
     81      -7.6318      1.00000
     82      -7.6311      1.00000
     83      -7.3998      1.00000
     84      -7.3251      1.00000
     85      -7.1971      1.00000
     86      -6.8404      1.00000
     87      -6.8295      1.00000
     88      -6.6624      1.00000
     89      -6.5391      1.00000
     90      -6.3445      1.00000
     91      -6.3077      1.00000
     92      -6.1848      1.00000
     93      -6.1485      1.00000
     94      -5.9778      1.00000
     95      -5.5724      1.00000
     96      -5.4265      1.00000
     97      -5.2590      1.00000
     98      -5.2510      1.00000
     99      -5.1495      1.00000
    100      -4.6959      1.00000
    101      -4.6654      1.00000
    102      -4.3493      1.00000
    103      -4.3160      1.00000
    104      -3.9646      1.00000
    105      -3.8308      1.00000
    106      -3.3897      1.00000
    107      -2.2210      0.00000
    108      -1.3777      0.00000
    109      -1.2870      0.00000
    110      -1.1732      0.00000
    111      -1.0779      0.00000
    112      -0.8935      0.00000
    113      -0.7680      0.00000
    114      -0.7575      0.00000
    115      -0.2178      0.00000
    116       0.1125      0.00000
    117       0.2635      0.00000
    118       0.3459      0.00000
    119       0.7326      0.00000
    120       0.9038      0.00000
    121       0.9712      0.00000
    122       1.0934      0.00000
    123       1.2065      0.00000
    124       1.5286      0.00000
    125       1.5618      0.00000
    126       1.7128      0.00000
    127       1.8383      0.00000
    128       1.8620      0.00000
    129       1.9703      0.00000
    130       1.9958      0.00000
    131       2.1606      0.00000
    132       2.2664      0.00000
    133       2.4546      0.00000
    134       2.4689      0.00000
    135       2.5083      0.00000
    136       2.6659      0.00000
    137       2.6855      0.00000
    138       2.7308      0.00000
    139       2.7449      0.00000
    140       2.8918      0.00000
    141       3.0211      0.00000
    142       3.0837      0.00000
    143       3.1967      0.00000
    144       3.2537      0.00000
    145       3.2593      0.00000
    146       3.2684      0.00000
    147       3.3607      0.00000
    148       3.4822      0.00000
    149       3.5271      0.00000
    150       3.6965      0.00000
    151       3.7526      0.00000
    152       3.7701      0.00000
    153       3.8359      0.00000
    154       3.8786      0.00000
    155       3.9420      0.00000
    156       3.9853      0.00000
    157       4.0246      0.00000
    158       4.0499      0.00000
    159       4.0566      0.00000
    160       4.1194      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1430      1.00000
      2     -22.0477      1.00000
      3     -21.8876      1.00000
      4     -21.3356      1.00000
      5     -20.9827      1.00000
      6     -20.9442      1.00000
      7     -20.4343      1.00000
      8     -20.3916      1.00000
      9     -20.2275      1.00000
     10     -20.2061      1.00000
     11     -19.8900      1.00000
     12     -19.8223      1.00000
     13     -18.8158      1.00000
     14     -18.7445      1.00000
     15     -18.2909      1.00000
     16     -18.2372      1.00000
     17     -18.0865      1.00000
     18     -18.0666      1.00000
     19     -17.7625      1.00000
     20     -17.7199      1.00000
     21     -17.1896      1.00000
     22     -17.1706      1.00000
     23     -17.1004      1.00000
     24     -17.0645      1.00000
     25     -16.0387      1.00000
     26     -15.8242      1.00000
     27     -15.8006      1.00000
     28     -15.7650      1.00000
     29     -15.1745      1.00000
     30     -14.4921      1.00000
     31     -14.4592      1.00000
     32     -14.2185      1.00000
     33     -13.8958      1.00000
     34     -13.8909      1.00000
     35     -13.7567      1.00000
     36     -13.7364      1.00000
     37     -13.5526      1.00000
     38     -13.5037      1.00000
     39     -13.3010      1.00000
     40     -12.5652      1.00000
     41     -12.1262      1.00000
     42     -12.0667      1.00000
     43     -12.0112      1.00000
     44     -11.9524      1.00000
     45     -11.6117      1.00000
     46     -11.5887      1.00000
     47     -11.0861      1.00000
     48     -11.0526      1.00000
     49     -10.7543      1.00000
     50     -10.6647      1.00000
     51     -10.5277      1.00000
     52     -10.1492      1.00000
     53     -10.1394      1.00000
     54     -10.0968      1.00000
     55      -9.9538      1.00000
     56      -9.9486      1.00000
     57      -9.9180      1.00000
     58      -9.7385      1.00000
     59      -9.7318      1.00000
     60      -9.7017      1.00000
     61      -9.6910      1.00000
     62      -9.4305      1.00000
     63      -9.3641      1.00000
     64      -9.0876      1.00000
     65      -9.0073      1.00000
     66      -8.9755      1.00000
     67      -8.8888      1.00000
     68      -8.8119      1.00000
     69      -8.6590      1.00000
     70      -8.6356      1.00000
     71      -8.5802      1.00000
     72      -8.4792      1.00000
     73      -8.4686      1.00000
     74      -8.3989      1.00000
     75      -8.3950      1.00000
     76      -8.1844      1.00000
     77      -8.1155      1.00000
     78      -7.9777      1.00000
     79      -7.9167      1.00000
     80      -7.8474      1.00000
     81      -7.6187      1.00000
     82      -7.5309      1.00000
     83      -7.4696      1.00000
     84      -7.2522      1.00000
     85      -6.9347      1.00000
     86      -6.8583      1.00000
     87      -6.8115      1.00000
     88      -6.5751      1.00000
     89      -6.4679      1.00000
     90      -6.4209      1.00000
     91      -6.3571      1.00000
     92      -6.0527      1.00000
     93      -5.8780      1.00000
     94      -5.7534      1.00000
     95      -5.7222      1.00000
     96      -5.4774      1.00000
     97      -5.3463      1.00000
     98      -5.1807      1.00000
     99      -5.1566      1.00000
    100      -5.1550      1.00000
    101      -4.7080      1.00000
    102      -4.4409      1.00000
    103      -4.2561      1.00000
    104      -3.9961      1.00000
    105      -3.8296      1.00000
    106      -3.1564      1.00000
    107      -2.4636      0.00000
    108      -1.3792      0.00000
    109      -1.2420      0.00000
    110      -1.1461      0.00000
    111      -1.1149      0.00000
    112      -0.5637      0.00000
    113      -0.4348      0.00000
    114      -0.4299      0.00000
    115      -0.3107      0.00000
    116      -0.1898      0.00000
    117       0.0617      0.00000
    118       0.1171      0.00000
    119       0.5397      0.00000
    120       0.6838      0.00000
    121       0.8700      0.00000
    122       0.9663      0.00000
    123       1.1096      0.00000
    124       1.4939      0.00000
    125       1.6602      0.00000
    126       1.8010      0.00000
    127       1.8735      0.00000
    128       2.0911      0.00000
    129       2.1446      0.00000
    130       2.1954      0.00000
    131       2.2145      0.00000
    132       2.3399      0.00000
    133       2.3634      0.00000
    134       2.4866      0.00000
    135       2.5795      0.00000
    136       2.6674      0.00000
    137       2.8784      0.00000
    138       2.9376      0.00000
    139       2.9650      0.00000
    140       2.9968      0.00000
    141       3.0409      0.00000
    142       3.1494      0.00000
    143       3.1836      0.00000
    144       3.2461      0.00000
    145       3.2892      0.00000
    146       3.3320      0.00000
    147       3.3489      0.00000
    148       3.3790      0.00000
    149       3.4108      0.00000
    150       3.4953      0.00000
    151       3.5498      0.00000
    152       3.6317      0.00000
    153       3.6963      0.00000
    154       3.7085      0.00000
    155       3.7253      0.00000
    156       3.9195      0.00000
    157       3.9371      0.00000
    158       4.0559      0.00000
    159       4.0868      0.00000
    160       4.1997      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     -20.7725      1.00000
      7     -20.7034      1.00000
      8     -20.5555      1.00000
      9     -20.0237      1.00000
     10     -19.9913      1.00000
     11     -19.6512      1.00000
     12     -19.6201      1.00000
     13     -18.9443      1.00000
     14     -18.9094      1.00000
     15     -18.5848      1.00000
     16     -18.5474      1.00000
     17     -18.3929      1.00000
     18     -17.6027      1.00000
     19     -17.5714      1.00000
     20     -17.5420      1.00000
     21     -17.5091      1.00000
     22     -17.0753      1.00000
     23     -17.0281      1.00000
     24     -16.9008      1.00000
     25     -15.9463      1.00000
     26     -15.8519      1.00000
     27     -15.5341      1.00000
     28     -15.5074      1.00000
     29     -15.2098      1.00000
     30     -14.8148      1.00000
     31     -14.7621      1.00000
     32     -14.5103      1.00000
     33     -14.4683      1.00000
     34     -14.0968      1.00000
     35     -14.0937      1.00000
     36     -13.1059      1.00000
     37     -13.0305      1.00000
     38     -12.9573      1.00000
     39     -12.9500      1.00000
     40     -12.6566      1.00000
     41     -12.6280      1.00000
     42     -12.2750      1.00000
     43     -12.2478      1.00000
     44     -11.5737      1.00000
     45     -11.5540      1.00000
     46     -11.5012      1.00000
     47     -10.8791      1.00000
     48     -10.8694      1.00000
     49     -10.6838      1.00000
     50     -10.5259      1.00000
     51     -10.5207      1.00000
     52     -10.4340      1.00000
     53     -10.4168      1.00000
     54     -10.3708      1.00000
     55     -10.2888      1.00000
     56     -10.0618      1.00000
     57      -9.8326      1.00000
     58      -9.5601      1.00000
     59      -9.4852      1.00000
     60      -9.4458      1.00000
     61      -9.3560      1.00000
     62      -9.3400      1.00000
     63      -9.3085      1.00000
     64      -9.3032      1.00000
     65      -9.2067      1.00000
     66      -9.0998      1.00000
     67      -9.0687      1.00000
     68      -9.0496      1.00000
     69      -8.8529      1.00000
     70      -8.7972      1.00000
     71      -8.7789      1.00000
     72      -8.5275      1.00000
     73      -8.4981      1.00000
     74      -8.2291      1.00000
     75      -8.1298      1.00000
     76      -8.0938      1.00000
     77      -7.8073      1.00000
     78      -7.7680      1.00000
     79      -7.7399      1.00000
     80      -7.7045      1.00000
     81      -7.6365      1.00000
     82      -7.6247      1.00000
     83      -7.3875      1.00000
     84      -7.3442      1.00000
     85      -7.2168      1.00000
     86      -6.8440      1.00000
     87      -6.8208      1.00000
     88      -6.6406      1.00000
     89      -6.5296      1.00000
     90      -6.3421      1.00000
     91      -6.2732      1.00000
     92      -6.1959      1.00000
     93      -6.1321      1.00000
     94      -6.0217      1.00000
     95      -5.6376      1.00000
     96      -5.5088      1.00000
     97      -5.2981      1.00000
     98      -5.1563      1.00000
     99      -5.0403      1.00000
    100      -4.7268      1.00000
    101      -4.6858      1.00000
    102      -4.3683      1.00000
    103      -4.1858      1.00000
    104      -4.0091      1.00000
    105      -3.8291      1.00000
    106      -3.4846      1.00000
    107      -2.1645      0.00000
    108      -1.3836      0.00000
    109      -1.2364      0.00000
    110      -1.1847      0.00000
    111      -1.0142      0.00000
    112      -0.9564      0.00000
    113      -0.7978      0.00000
    114      -0.7524      0.00000
    115      -0.3652      0.00000
    116       0.2448      0.00000
    117       0.2765      0.00000
    118       0.3645      0.00000
    119       0.6987      0.00000
    120       0.8683      0.00000
    121       0.9656      0.00000
    122       1.1252      0.00000
    123       1.2344      0.00000
    124       1.4542      0.00000
    125       1.5537      0.00000
    126       1.7814      0.00000
    127       1.8506      0.00000
    128       1.8836      0.00000
    129       1.9846      0.00000
    130       2.0300      0.00000
    131       2.1982      0.00000
    132       2.2092      0.00000
    133       2.4011      0.00000
    134       2.4585      0.00000
    135       2.5528      0.00000
    136       2.6579      0.00000
    137       2.6846      0.00000
    138       2.7276      0.00000
    139       2.7690      0.00000
    140       2.8524      0.00000
    141       2.9645      0.00000
    142       3.0816      0.00000
    143       3.1917      0.00000
    144       3.2406      0.00000
    145       3.2563      0.00000
    146       3.2957      0.00000
    147       3.3347      0.00000
    148       3.4807      0.00000
    149       3.5080      0.00000
    150       3.7110      0.00000
    151       3.7219      0.00000
    152       3.7698      0.00000
    153       3.8599      0.00000
    154       3.8731      0.00000
    155       3.8998      0.00000
    156       3.9971      0.00000
    157       4.0025      0.00000
    158       4.0548      0.00000
    159       4.0645      0.00000
    160       4.0877      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3207      1.00000
      2     -21.7626      1.00000
      3     -21.5688      1.00000
      4     -21.5415      1.00000
      5     -21.2062      1.00000
      6     -21.1670      1.00000
      7     -20.9867      1.00000
      8     -20.0998      1.00000
      9     -20.0606      1.00000
     10     -19.5475      1.00000
     11     -19.5268      1.00000
     12     -19.3457      1.00000
     13     -19.0293      1.00000
     14     -18.9891      1.00000
     15     -18.9784      1.00000
     16     -18.9723      1.00000
     17     -18.2970      1.00000
     18     -18.2831      1.00000
     19     -17.9471      1.00000
     20     -17.0014      1.00000
     21     -16.9603      1.00000
     22     -16.8835      1.00000
     23     -16.8703      1.00000
     24     -16.4167      1.00000
     25     -16.3942      1.00000
     26     -15.5416      1.00000
     27     -15.5383      1.00000
     28     -15.1732      1.00000
     29     -15.1722      1.00000
     30     -15.1322      1.00000
     31     -15.0377      1.00000
     32     -15.0015      1.00000
     33     -14.6340      1.00000
     34     -14.6273      1.00000
     35     -13.6633      1.00000
     36     -13.6538      1.00000
     37     -13.1720      1.00000
     38     -12.5746      1.00000
     39     -12.5136      1.00000
     40     -12.3865      1.00000
     41     -12.3863      1.00000
     42     -12.0356      1.00000
     43     -12.0319      1.00000
     44     -11.6555      1.00000
     45     -11.6153      1.00000
     46     -11.2079      1.00000
     47     -11.1574      1.00000
     48     -10.9563      1.00000
     49     -10.9430      1.00000
     50     -10.8610      1.00000
     51     -10.8288      1.00000
     52     -10.6264      1.00000
     53     -10.1479      1.00000
     54     -10.0854      1.00000
     55     -10.0262      1.00000
     56      -9.9469      1.00000
     57      -9.6322      1.00000
     58      -9.6299      1.00000
     59      -9.6038      1.00000
     60      -9.5411      1.00000
     61      -9.5042      1.00000
     62      -9.4793      1.00000
     63      -9.2739      1.00000
     64      -9.2362      1.00000
     65      -9.2081      1.00000
     66      -9.1800      1.00000
     67      -9.0630      1.00000
     68      -9.0477      1.00000
     69      -9.0443      1.00000
     70      -8.8777      1.00000
     71      -8.8092      1.00000
     72      -8.5380      1.00000
     73      -8.5328      1.00000
     74      -8.5032      1.00000
     75      -8.0320      1.00000
     76      -7.8322      1.00000
     77      -7.8017      1.00000
     78      -7.7745      1.00000
     79      -7.7046      1.00000
     80      -7.6847      1.00000
     81      -7.4106      1.00000
     82      -7.2893      1.00000
     83      -7.2519      1.00000
     84      -7.2039      1.00000
     85      -7.0825      1.00000
     86      -7.0738      1.00000
     87      -6.9381      1.00000
     88      -6.7124      1.00000
     89      -6.6749      1.00000
     90      -6.6295      1.00000
     91      -6.5574      1.00000
     92      -6.0724      1.00000
     93      -6.0324      1.00000
     94      -6.0015      1.00000
     95      -5.9375      1.00000
     96      -5.8008      1.00000
     97      -5.1818      1.00000
     98      -4.8948      1.00000
     99      -4.7941      1.00000
    100      -4.6113      1.00000
    101      -4.5125      1.00000
    102      -4.1407      1.00000
    103      -4.0922      1.00000
    104      -3.9313      1.00000
    105      -3.9166      1.00000
    106      -3.8283      1.00000
    107      -1.7518      0.00000
    108      -1.6962      0.00000
    109      -1.4102      0.00000
    110      -1.3723      0.00000
    111      -1.2647      0.00000
    112      -1.2359      0.00000
    113      -0.6236      0.00000
    114      -0.5990      0.00000
    115      -0.1901      0.00000
    116       0.0426      0.00000
    117       0.5825      0.00000
    118       0.7405      0.00000
    119       0.8497      0.00000
    120       0.9273      0.00000
    121       1.1676      0.00000
    122       1.2104      0.00000
    123       1.2457      0.00000
    124       1.4180      0.00000
    125       1.5978      0.00000
    126       1.6365      0.00000
    127       1.7031      0.00000
    128       1.8059      0.00000
    129       1.9229      0.00000
    130       1.9398      0.00000
    131       2.1469      0.00000
    132       2.1714      0.00000
    133       2.2606      0.00000
    134       2.3000      0.00000
    135       2.5406      0.00000
    136       2.5569      0.00000
    137       2.6391      0.00000
    138       2.7597      0.00000
    139       2.8110      0.00000
    140       2.8482      0.00000
    141       2.8937      0.00000
    142       2.9434      0.00000
    143       3.0130      0.00000
    144       3.0267      0.00000
    145       3.0859      0.00000
    146       3.3100      0.00000
    147       3.3713      0.00000
    148       3.4199      0.00000
    149       3.4789      0.00000
    150       3.6073      0.00000
    151       3.6575      0.00000
    152       3.6679      0.00000
    153       3.6794      0.00000
    154       3.8907      0.00000
    155       3.9786      0.00000
    156       4.0248      0.00000
    157       4.0722      0.00000
    158       4.2369      0.00000
    159       4.2570      0.00000
    160       4.2652      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1420      1.00000
      2     -22.0493      1.00000
      3     -21.8871      1.00000
      4     -21.3365      1.00000
      5     -20.9778      1.00000
      6     -20.9482      1.00000
      7     -20.4291      1.00000
      8     -20.3970      1.00000
      9     -20.2172      1.00000
     10     -20.2149      1.00000
     11     -19.8887      1.00000
     12     -19.8250      1.00000
     13     -18.8186      1.00000
     14     -18.7479      1.00000
     15     -18.2665      1.00000
     16     -18.2529      1.00000
     17     -18.0813      1.00000
     18     -18.0743      1.00000
     19     -17.7466      1.00000
     20     -17.7313      1.00000
     21     -17.1960      1.00000
     22     -17.1721      1.00000
     23     -17.0894      1.00000
     24     -17.0688      1.00000
     25     -16.0554      1.00000
     26     -15.8093      1.00000
     27     -15.7997      1.00000
     28     -15.7784      1.00000
     29     -15.1597      1.00000
     30     -14.4865      1.00000
     31     -14.4650      1.00000
     32     -14.2047      1.00000
     33     -13.9179      1.00000
     34     -13.8876      1.00000
     35     -13.7600      1.00000
     36     -13.7395      1.00000
     37     -13.5367      1.00000
     38     -13.5113      1.00000
     39     -13.3025      1.00000
     40     -12.5780      1.00000
     41     -12.1016      1.00000
     42     -12.0780      1.00000
     43     -11.9991      1.00000
     44     -11.9518      1.00000
     45     -11.6069      1.00000
     46     -11.5989      1.00000
     47     -11.0858      1.00000
     48     -11.0615      1.00000
     49     -10.7327      1.00000
     50     -10.6653      1.00000
     51     -10.5607      1.00000
     52     -10.1407      1.00000
     53     -10.1363      1.00000
     54     -10.1016      1.00000
     55      -9.9672      1.00000
     56      -9.9261      1.00000
     57      -9.9223      1.00000
     58      -9.7523      1.00000
     59      -9.7300      1.00000
     60      -9.6982      1.00000
     61      -9.6952      1.00000
     62      -9.4024      1.00000
     63      -9.3898      1.00000
     64      -9.0705      1.00000
     65      -8.9832      1.00000
     66      -8.9823      1.00000
     67      -8.9062      1.00000
     68      -8.8126      1.00000
     69      -8.6509      1.00000
     70      -8.6344      1.00000
     71      -8.5503      1.00000
     72      -8.5023      1.00000
     73      -8.4832      1.00000
     74      -8.3947      1.00000
     75      -8.3834      1.00000
     76      -8.2104      1.00000
     77      -8.1032      1.00000
     78      -8.0075      1.00000
     79      -7.9030      1.00000
     80      -7.8450      1.00000
     81      -7.6220      1.00000
     82      -7.5341      1.00000
     83      -7.4567      1.00000
     84      -7.2493      1.00000
     85      -6.9442      1.00000
     86      -6.8697      1.00000
     87      -6.8108      1.00000
     88      -6.4783      1.00000
     89      -6.4686      1.00000
     90      -6.4099      1.00000
     91      -6.3605      1.00000
     92      -6.1913      1.00000
     93      -5.8586      1.00000
     94      -5.7381      1.00000
     95      -5.7116      1.00000
     96      -5.5240      1.00000
     97      -5.3296      1.00000
     98      -5.1725      1.00000
     99      -5.1679      1.00000
    100      -5.1345      1.00000
    101      -4.6960      1.00000
    102      -4.3487      1.00000
    103      -4.2814      1.00000
    104      -4.0292      1.00000
    105      -3.8306      1.00000
    106      -3.2338      1.00000
    107      -2.4052      0.00000
    108      -1.3455      0.00000
    109      -1.2446      0.00000
    110      -1.1531      0.00000
    111      -1.1086      0.00000
    112      -0.5827      0.00000
    113      -0.5224      0.00000
    114      -0.4341      0.00000
    115      -0.2749      0.00000
    116      -0.0705      0.00000
    117      -0.0112      0.00000
    118       0.0597      0.00000
    119       0.5832      0.00000
    120       0.7105      0.00000
    121       0.8087      0.00000
    122       0.9421      0.00000
    123       1.1814      0.00000
    124       1.5072      0.00000
    125       1.6189      0.00000
    126       1.8573      0.00000
    127       2.0030      0.00000
    128       2.0495      0.00000
    129       2.1110      0.00000
    130       2.1540      0.00000
    131       2.2670      0.00000
    132       2.2856      0.00000
    133       2.3494      0.00000
    134       2.4613      0.00000
    135       2.6096      0.00000
    136       2.6994      0.00000
    137       2.8172      0.00000
    138       2.9148      0.00000
    139       2.9421      0.00000
    140       3.0160      0.00000
    141       3.0494      0.00000
    142       3.1556      0.00000
    143       3.1655      0.00000
    144       3.2270      0.00000
    145       3.2984      0.00000
    146       3.3098      0.00000
    147       3.3524      0.00000
    148       3.3722      0.00000
    149       3.4151      0.00000
    150       3.4443      0.00000
    151       3.5612      0.00000
    152       3.6109      0.00000
    153       3.7054      0.00000
    154       3.7249      0.00000
    155       3.8454      0.00000
    156       3.9050      0.00000
    157       3.9305      0.00000
    158       3.9607      0.00000
    159       4.1450      0.00000
    160       4.1799      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2147      1.00000
      2     -22.0096      1.00000
      3     -21.6475      1.00000
      4     -21.6161      1.00000
      5     -20.9112      1.00000
      6     -20.8702      1.00000
      7     -20.5404      1.00000
      8     -20.5078      1.00000
      9     -20.5008      1.00000
     10     -19.9635      1.00000
     11     -19.4424      1.00000
     12     -19.4197      1.00000
     13     -19.2412      1.00000
     14     -19.2337      1.00000
     15     -18.3773      1.00000
     16     -18.3420      1.00000
     17     -17.8601      1.00000
     18     -17.8435      1.00000
     19     -17.6925      1.00000
     20     -17.6563      1.00000
     21     -17.3735      1.00000
     22     -17.3588      1.00000
     23     -17.2681      1.00000
     24     -16.4144      1.00000
     25     -16.3910      1.00000
     26     -15.9060      1.00000
     27     -15.3444      1.00000
     28     -15.3397      1.00000
     29     -15.0319      1.00000
     30     -15.0224      1.00000
     31     -14.7767      1.00000
     32     -14.7751      1.00000
     33     -14.2392      1.00000
     34     -14.1876      1.00000
     35     -13.3893      1.00000
     36     -13.3339      1.00000
     37     -13.1118      1.00000
     38     -13.1040      1.00000
     39     -12.9193      1.00000
     40     -12.9134      1.00000
     41     -12.5459      1.00000
     42     -12.5386      1.00000
     43     -12.1346      1.00000
     44     -11.5144      1.00000
     45     -11.4701      1.00000
     46     -11.2454      1.00000
     47     -11.2140      1.00000
     48     -11.0876      1.00000
     49     -10.7081      1.00000
     50     -10.5959      1.00000
     51     -10.5101      1.00000
     52     -10.2525      1.00000
     53     -10.2485      1.00000
     54     -10.1223      1.00000
     55     -10.0545      1.00000
     56     -10.0402      1.00000
     57      -9.7862      1.00000
     58      -9.6881      1.00000
     59      -9.6746      1.00000
     60      -9.6387      1.00000
     61      -9.6289      1.00000
     62      -9.5865      1.00000
     63      -9.2967      1.00000
     64      -9.2847      1.00000
     65      -9.2536      1.00000
     66      -9.0673      1.00000
     67      -8.8953      1.00000
     68      -8.8850      1.00000
     69      -8.7193      1.00000
     70      -8.5832      1.00000
     71      -8.5267      1.00000
     72      -8.3517      1.00000
     73      -8.3053      1.00000
     74      -8.2437      1.00000
     75      -8.2389      1.00000
     76      -8.1946      1.00000
     77      -8.1826      1.00000
     78      -8.1701      1.00000
     79      -8.1107      1.00000
     80      -7.6908      1.00000
     81      -7.4150      1.00000
     82      -7.3456      1.00000
     83      -7.2586      1.00000
     84      -7.1698      1.00000
     85      -7.1115      1.00000
     86      -7.0038      1.00000
     87      -6.9047      1.00000
     88      -6.8472      1.00000
     89      -6.5420      1.00000
     90      -6.4997      1.00000
     91      -6.2136      1.00000
     92      -6.2018      1.00000
     93      -5.8950      1.00000
     94      -5.6740      1.00000
     95      -5.6088      1.00000
     96      -5.5808      1.00000
     97      -5.2536      1.00000
     98      -5.2318      1.00000
     99      -5.1653      1.00000
    100      -5.1350      1.00000
    101      -4.5994      1.00000
    102      -4.2513      1.00000
    103      -4.0457      1.00000
    104      -3.8853      1.00000
    105      -3.8425      1.00000
    106      -3.8015      1.00000
    107      -1.8076      0.00000
    108      -1.7808      0.00000
    109      -1.2254      0.00000
    110      -1.1764      0.00000
    111      -0.9741      0.00000
    112      -0.7344      0.00000
    113      -0.6509      0.00000
    114      -0.5941      0.00000
    115      -0.5497      0.00000
    116      -0.1518      0.00000
    117       0.1755      0.00000
    118       0.2880      0.00000
    119       0.7042      0.00000
    120       0.9476      0.00000
    121       1.1686      0.00000
    122       1.2777      0.00000
    123       1.3446      0.00000
    124       1.5097      0.00000
    125       1.6066      0.00000
    126       1.6270      0.00000
    127       1.6914      0.00000
    128       1.7731      0.00000
    129       1.8602      0.00000
    130       2.0790      0.00000
    131       2.1648      0.00000
    132       2.3209      0.00000
    133       2.3914      0.00000
    134       2.4239      0.00000
    135       2.5536      0.00000
    136       2.6228      0.00000
    137       2.6874      0.00000
    138       2.7484      0.00000
    139       2.8166      0.00000
    140       2.9085      0.00000
    141       3.0529      0.00000
    142       3.0600      0.00000
    143       3.1817      0.00000
    144       3.2797      0.00000
    145       3.3774      0.00000
    146       3.4126      0.00000
    147       3.4587      0.00000
    148       3.5478      0.00000
    149       3.5747      0.00000
    150       3.6331      0.00000
    151       3.6621      0.00000
    152       3.7012      0.00000
    153       3.7875      0.00000
    154       3.8007      0.00000
    155       3.8225      0.00000
    156       3.8914      0.00000
    157       3.9075      0.00000
    158       3.9772      0.00000
    159       4.1889      0.00000
    160       4.2304      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0395   -7.2576    3.9839   -1.1327   -0.1857   17.3766    0.4876   -0.8144    0.7714   -0.4774
x    -3.1251   -0.0255   -0.0213   -0.0254    0.0905   -3.0536    0.0303   -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   204.0395    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   -0.0314    0.0619    0.0185
y     0.0230   -3.2429   -0.1792    0.1704   -2.4164   -0.6650
z   204.0395    1.7480    0.2948    0.0879    0.0007    0.0706   -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    0.0988    0.0006   -0.0010   -0.0001   -0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0012   -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  -16.6015
z     0.1416    0.2355   -0.0290    0.0577   -0.0951    0.0006
 total charge-density along one line
x   212.0000  -10.0888    5.9308   -1.9417   -0.4213   19.2961   -0.6619    0.2077    0.0667   -0.1070
x    -2.7050   -0.0092    0.0010   -0.0441    0.0961   -2.3449    0.0477   -0.0344    0.0118    0.0024
x    -0.0856   -0.0053    0.0083   -0.0079    0.0053   -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  -10.0888    5.9308   -1.9417   -0.4213   19.2961   -0.6619    0.2077    0.0667   -0.1070
y    -2.7050   -0.0092    0.0010   -0.0441    0.0961   -2.3449    0.0477   -0.0344    0.0118    0.0024
y    -0.0856   -0.0053    0.0083   -0.0079    0.0053   -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 -205.3358  188.9419 -170.2099  154.0272 -140.2420  126.2902 -110.8221   94.5890  -78.9622
z    64.6308  -51.7185   40.4796  -31.3946   24.6336  -19.6980   15.7289  -12.1312    8.8634   -6.1904
z     4.2579   -2.9269    1.9380   -1.1396    0.5334   -0.1495   -0.0635    0.2137   -0.3669    0.5006
z    -0.5564    0.5191   -0.4359    0.3673   -0.3343    0.3156   -0.2841    0.2367   -0.1900    0.1567
z    -0.1347    0.1145   -0.0921    0.0715   -0.0577    0.0500   -0.0441    0.0370   -0.0295    0.0239
z    -0.0208    0.0186   -0.0159    0.0129   -0.0103    0.0084   -0.0068    0.0053   -0.0039    0.0028
z    -0.0020    0.0012   -0.0004   -0.0002    0.0004   -0.0004    0.0004   -0.0006    0.0007   -0.0007
z     0.0004   -0.0002    0.0001    0.0000    0.0000    0.0001   -0.0002    0.0003   -0.0003    0.0003
z    -0.0002    0.0002   -0.0002    0.0001   -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0000   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.940   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 -10.937   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   0.101   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
-10.940   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 -10.937   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   0.101   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   0.021   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  -0.147   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  -0.043   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   0.038   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   0.100   0.000  -0.024   0.191  -0.052   0.000   0.115   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   0.065  -0.011
  0.057   0.000   0.355   0.000  -0.035   0.100   0.000   0.564   0.000  -0.057   0.702  -0.292   0.000   0.088   0.000   0.000
  0.000   0.259   0.000   0.294   0.000   0.000   0.105   0.000   0.206   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   0.702   0.000  -0.108   1.351  -0.432   0.000   0.265   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   0.056   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   0.115   0.000   0.088   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   0.065   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
  0.002   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        0.638   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   2.647
 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   2.640
 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   2.647
 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   1.783   0.000   2.646
 53        0.864   1.783   0.000   2.646
------------------------------------------------
tot       44.831  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  115.08: CPU time   58.21
    FORLOC:  VPU time    1.26: CPU time    1.26
    FORNL :  VPU time  444.88: CPU time  223.53
    STRESS:  VPU time 1324.45: CPU time  666.73
    FORCOR:  VPU time    8.51: CPU time    8.51
    FORHAR:  VPU time    2.25: CPU time    2.25
    MIXING:  VPU time    0.16: CPU time    0.16
 d Force = 0.4121220E-04[ 0.338E-04, 0.486E-04]  d Energy = 0.4424357E-04-0.303E-05
 d Force = 0.9065218E+00[ 0.907E+00, 0.907E+00]  d Ewald  =-0.1383646E+01 0.229E+01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.645027 eV

  energy  without entropy=     -471.645027  energy(sigma->0) =     -471.645027
 

  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    40730.43  40746.10 -47429.92     13.57      0.00      0.00
  Hartree  40196.50  40199.60 -39449.28      2.69      0.00      0.00
  E(xc)     -779.75   -779.56   -807.27      0.17      0.00      0.00
  Local   -83220.12 -83232.82  84196.66    -10.99      0.00      0.00
  n-local   -215.82   -215.70   -203.87     -0.16      0.00      0.00
  augment     22.10     20.54     17.36     -1.35      0.00      0.00
  Kinetic   3168.81   3171.54   3582.21     -6.10      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.14     -0.14     -0.17      0.00      0.00      0.00
  in kB       -0.09     -0.09     -0.10      0.00      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
    12.347200434  0.001593286  0.000000000     0.080983988  0.046742263  0.000000000
    -6.172227033 10.693781707  0.000000000    -0.000012066  0.093505324  0.000000000
     0.000000000  0.000000000 19.978036851     0.000000000  0.000000000  0.050054968

  length of vectors
    12.347200537 12.347200239 19.978036851     0.093505323  0.093505325  0.050054968


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.457E-05 -.456E-04 -.960E+03   0.434E-05 -.274E-04 0.968E+03   0.425E-21 0.140E-23 -.786E+01   -.739E-07 0.350E-07 0.164E-01
   -.175E+02 -.303E+02 -.136E+03   0.183E+02 0.318E+02 0.139E+03   -.826E+00 -.143E+01 -.258E+01   -.459E-03 -.796E-03 -.680E-03
   0.175E+02 0.303E+02 -.136E+03   -.183E+02 -.318E+02 0.139E+03   0.826E+00 0.143E+01 -.258E+01   0.459E-03 0.796E-03 -.680E-03
   -.196E+01 0.113E+01 0.178E+02   0.197E+01 -.114E+01 -.178E+02   -.103E-01 0.592E-02 -.435E-02   -.342E-03 0.194E-03 0.190E-02
   0.580E+01 0.684E+01 0.204E+02   -.580E+01 -.687E+01 -.204E+02   0.577E-02 0.353E-01 -.179E-01   0.360E-03 -.688E-03 0.253E-02
   0.112E+02 0.507E+01 0.186E+02   -.112E+02 -.508E+01 -.185E+02   0.281E-01 0.811E-02 -.545E-01   -.164E-03 -.429E-03 -.839E-04
   0.452E+01 -.100E+01 0.163E+02   -.453E+01 0.102E+01 -.163E+02   0.202E-01 -.184E-01 -.281E-02   -.634E-03 0.354E-04 0.566E-03
   -.290E+01 -.241E+01 0.154E+02   0.292E+01 0.242E+01 -.154E+02   -.154E-01 -.155E-01 0.240E-02   -.727E-03 0.162E-05 -.531E-03
   0.634E+00 0.372E+01 0.154E+02   -.641E+00 -.374E+01 -.154E+02   0.570E-02 0.211E-01 0.240E-02   -.370E-03 0.623E-03 -.534E-03
   0.274E+01 0.182E+02 0.249E+02   -.275E+01 -.183E+02 -.249E+02   0.769E-02 0.107E+00 -.636E-02   -.236E-03 0.169E-03 0.136E-03
   0.214E+02 0.226E+02 0.395E+02   -.215E+02 -.228E+02 -.395E+02   0.116E+00 0.231E+00 -.181E-01   -.414E-03 -.161E-02 -.149E-02
   0.265E+02 -.451E+01 0.264E+02   -.267E+02 0.463E+01 -.264E+02   0.236E+00 -.118E+00 -.572E-01   -.644E-03 -.827E-03 -.511E-04
   0.918E+01 -.530E+01 0.155E+02   -.920E+01 0.531E+01 -.155E+02   0.157E-01 -.908E-02 0.458E-02   -.606E-04 0.287E-04 0.263E-03
   0.313E+01 -.341E+01 0.163E+02   -.315E+01 0.342E+01 -.163E+02   0.260E-01 -.830E-02 -.281E-02   -.350E-03 0.527E-03 0.558E-03
   -.606E+01 0.132E+02 0.199E+02   0.607E+01 -.132E+02 -.199E+02   -.395E-02 0.735E-01 -.975E-02   -.573E-03 0.325E-03 0.287E-03
   -.122E+02 0.335E+02 0.453E+02   0.123E+02 -.342E+02 -.457E+02   -.939E-01 0.680E+00 0.346E+00   0.514E-03 -.173E-02 0.299E-03
   0.265E+02 -.153E+02 0.688E+02   -.275E+02 0.159E+02 -.709E+02   0.970E+00 -.560E+00 0.210E+01   0.113E-03 -.682E-04 0.267E-02
   0.172E+02 -.207E+02 0.264E+02   -.174E+02 0.208E+02 -.264E+02   0.221E+00 -.145E+00 -.572E-01   0.392E-03 0.964E-03 -.561E-04
   0.122E+01 -.123E+02 0.186E+02   -.123E+01 0.123E+02 -.185E+02   0.702E-02 -.284E-01 -.545E-01   0.292E-03 0.355E-03 -.895E-04
   -.387E+01 0.154E+01 0.145E+02   0.387E+01 -.154E+01 -.145E+02   -.738E-02 0.386E-02 -.404E-01   -.471E-04 -.358E-03 0.297E-03
   -.182E+02 0.105E+02 0.205E+02   0.182E+02 -.105E+02 -.204E+02   -.665E-01 0.384E-01 -.129E+00   0.423E-03 -.241E-03 -.149E-03
   -.351E+02 -.614E+01 0.453E+02   0.358E+02 0.640E+01 -.457E+02   -.635E+00 -.258E+00 0.346E+00   0.176E-02 0.419E-03 0.302E-03
   -.883E+01 -.298E+02 0.395E+02   0.896E+01 0.300E+02 -.395E+02   -.142E+00 -.216E+00 -.181E-01   0.119E-02 0.116E-02 -.150E-02
   -.303E+01 -.844E+01 0.204E+02   0.305E+01 0.846E+01 -.204E+02   -.277E-01 -.226E-01 -.179E-01   0.778E-03 0.300E-04 0.253E-02
   0.127E+01 -.732E+00 0.153E+02   -.127E+01 0.732E+00 -.153E+02   -.263E-02 0.152E-02 -.302E-01   0.414E-03 -.237E-03 -.629E-03
   -.326E+01 0.258E+01 0.145E+02   0.327E+01 -.258E+01 -.145E+02   -.704E-02 0.446E-02 -.404E-01   0.288E-03 0.224E-03 0.302E-03
   -.144E+02 -.134E+01 0.199E+02   0.145E+02 0.137E+01 -.199E+02   -.656E-01 -.333E-01 -.975E-02   -.566E-03 0.332E-03 0.295E-03
   -.144E+02 -.115E+02 0.249E+02   0.145E+02 0.115E+02 -.249E+02   -.890E-01 -.602E-01 -.636E-02   -.262E-03 0.115E-03 0.139E-03
   0.303E+01 0.844E+01 0.204E+02   -.305E+01 -.846E+01 -.204E+02   0.277E-01 0.226E-01 -.179E-01   -.778E-03 -.300E-04 0.253E-02
   0.144E+02 0.115E+02 0.249E+02   -.145E+02 -.115E+02 -.249E+02   0.890E-01 0.602E-01 -.636E-02   0.262E-03 -.114E-03 0.139E-03
   0.144E+02 0.134E+01 0.199E+02   -.145E+02 -.137E+01 -.199E+02   0.656E-01 0.333E-01 -.975E-02   0.566E-03 -.332E-03 0.295E-03
   0.326E+01 -.258E+01 0.145E+02   -.327E+01 0.258E+01 -.145E+02   0.704E-02 -.446E-02 -.404E-01   -.288E-03 -.224E-03 0.302E-03
   -.127E+01 0.732E+00 0.153E+02   0.127E+01 -.732E+00 -.153E+02   0.263E-02 -.152E-02 -.302E-01   -.414E-03 0.237E-03 -.629E-03
   -.122E+01 0.123E+02 0.186E+02   0.123E+01 -.123E+02 -.185E+02   -.702E-02 0.284E-01 -.545E-01   -.292E-03 -.355E-03 -.895E-04
   0.883E+01 0.298E+02 0.395E+02   -.896E+01 -.300E+02 -.395E+02   0.142E+00 0.216E+00 -.181E-01   -.119E-02 -.116E-02 -.150E-02
   0.351E+02 0.614E+01 0.453E+02   -.358E+02 -.640E+01 -.457E+02   0.635E+00 0.258E+00 0.346E+00   -.176E-02 -.419E-03 0.302E-03
   0.182E+02 -.105E+02 0.205E+02   -.182E+02 0.105E+02 -.204E+02   0.665E-01 -.384E-01 -.129E+00   -.423E-03 0.241E-03 -.149E-03
   0.387E+01 -.154E+01 0.145E+02   -.387E+01 0.154E+01 -.145E+02   0.738E-02 -.386E-02 -.404E-01   0.471E-04 0.358E-03 0.297E-03
   -.313E+01 0.341E+01 0.163E+02   0.315E+01 -.342E+01 -.163E+02   -.260E-01 0.830E-02 -.281E-02   0.350E-03 -.527E-03 0.558E-03
   -.172E+02 0.207E+02 0.264E+02   0.174E+02 -.208E+02 -.264E+02   -.221E+00 0.145E+00 -.572E-01   -.392E-03 -.964E-03 -.561E-04
   -.265E+02 0.153E+02 0.688E+02   0.275E+02 -.159E+02 -.709E+02   -.970E+00 0.560E+00 0.210E+01   -.113E-03 0.682E-04 0.267E-02
   0.122E+02 -.335E+02 0.453E+02   -.123E+02 0.342E+02 -.457E+02   0.939E-01 -.680E+00 0.346E+00   -.514E-03 0.173E-02 0.299E-03
   0.606E+01 -.132E+02 0.199E+02   -.607E+01 0.132E+02 -.199E+02   0.395E-02 -.735E-01 -.975E-02   0.573E-03 -.325E-03 0.287E-03
   -.634E+00 -.372E+01 0.154E+02   0.641E+00 0.374E+01 -.154E+02   -.570E-02 -.211E-01 0.240E-02   0.370E-03 -.623E-03 -.534E-03
   -.918E+01 0.530E+01 0.155E+02   0.920E+01 -.531E+01 -.155E+02   -.157E-01 0.908E-02 0.458E-02   0.606E-04 -.287E-04 0.263E-03
   -.265E+02 0.451E+01 0.264E+02   0.267E+02 -.463E+01 -.264E+02   -.236E+00 0.118E+00 -.572E-01   0.644E-03 0.827E-03 -.511E-04
   -.214E+02 -.226E+02 0.395E+02   0.215E+02 0.228E+02 -.395E+02   -.116E+00 -.231E+00 -.181E-01   0.414E-03 0.161E-02 -.149E-02
   -.274E+01 -.182E+02 0.249E+02   0.275E+01 0.183E+02 -.249E+02   -.769E-02 -.107E+00 -.636E-02   0.236E-03 -.169E-03 0.136E-03
   0.196E+01 -.113E+01 0.178E+02   -.197E+01 0.114E+01 -.178E+02   0.103E-01 -.592E-02 -.435E-02   0.342E-03 -.194E-03 0.190E-02
   0.290E+01 0.241E+01 0.154E+02   -.292E+01 -.242E+01 -.154E+02   0.154E-01 0.155E-01 0.240E-02   0.727E-03 -.162E-05 -.531E-03
   -.452E+01 0.100E+01 0.163E+02   0.453E+01 -.102E+01 -.163E+02   -.202E-01 0.184E-01 -.281E-02   0.634E-03 -.354E-04 0.566E-03
   -.112E+02 -.507E+01 0.186E+02   0.112E+02 0.508E+01 -.185E+02   -.281E-01 -.811E-02 -.545E-01   0.164E-03 0.429E-03 -.839E-04
   -.580E+01 -.684E+01 0.204E+02   0.580E+01 0.687E+01 -.204E+02   -.577E-02 -.353E-01 -.179E-01   -.360E-03 0.688E-03 0.253E-02
 -----------------------------------------------------------------------------------------------
   -.183E-02 0.313E-03 0.854E+01   -.290E-12 -.110E-12 -.313E-12   -.399E-16 0.694E-16 -.857E+01   -.873E-07 0.374E-07 0.310E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85286      6.06050     12.32112         0.000000      0.000000      0.026888
      2.25990      6.76552     13.64146         0.003194      0.005532      0.000133
      1.44582      5.35548     13.64146        -0.003194     -0.005532      0.000133
      0.00060     -0.00034      9.93687        -0.002522      0.001456     -0.003050
     11.11199      2.13914      9.93926        -0.001930      0.006402     -0.001962
      9.87642      4.27871      9.95345         0.005623     -0.002850     -0.000109
      8.64314      6.41794      9.95374         0.001600     -0.002987     -0.001170
     -4.93614      8.55510      9.94716        -0.001761      0.000629      0.000352
      2.47019     -0.00114      9.94716        -0.001425      0.001210      0.000352
      1.23474      2.13613      9.95290        -0.002675     -0.008233      0.000134
     -0.00396      4.27462      9.98404        -0.000957      0.008987      0.000243
     -1.23840      6.41569      9.99091         0.000068      0.002815     -0.000505
     -2.46705      8.55460      9.96186        -0.005387      0.003110     -0.000849
      4.93845      0.00122      9.95374         0.003387      0.000108     -0.001170
      3.70475      2.13646      9.96212         0.004123     -0.002953      0.000123
      2.47072      4.26288     10.02934        -0.007000     -0.000197     -0.001841
      1.22843      6.42101     10.10188        -0.008626      0.004980      0.000097
     -0.00037      8.56001      9.99091        -0.002403     -0.001466     -0.000505
      7.40772      0.00279      9.95345         0.005280     -0.003445     -0.000109
      6.17331      2.13990      9.95400        -0.001441      0.003535      0.000505
      4.94032      4.27795      9.98488        -0.005283      0.003050     -0.001054
      3.71857      6.42423     10.02934        -0.003330      0.006161     -0.001841
      2.47107      8.56149      9.98404        -0.008262     -0.003665      0.000243
      9.87843      0.00255      9.93926        -0.006509     -0.001530     -0.001962
      8.64252      2.14049      9.94247        -0.002028      0.001171     -0.000262
      7.40843      4.27918      9.95400        -0.003782     -0.000520      0.000505
      6.17712      6.41874      9.96212         0.004619     -0.002094      0.000123
      4.94240      8.55800      9.95290         0.005792      0.006433      0.000134
     -0.00048      1.42467      9.93926         0.006509      0.001530     -0.001962
     -1.23669      3.56300      9.95290        -0.005792     -0.006433      0.000134
     -2.47141      5.70226      9.96212        -0.004619      0.002094      0.000123
     -3.70271      7.84182      9.95400         0.003782      0.000520      0.000505
     -4.93681      9.98051      9.94247         0.002028     -0.001171     -0.000262
      2.47023      1.42443      9.95345        -0.005280      0.003445     -0.000109
      1.23465      3.55951      9.98404         0.008262      0.003665      0.000243
     -0.01285      5.69677     10.02934         0.003330     -0.006161     -0.001841
     -1.23461      7.84305      9.98488         0.005283     -0.003050     -0.001054
     -2.46760      9.98110      9.95400         0.001441     -0.003535      0.000505
      4.93949      1.42599      9.95374        -0.003387     -0.000108     -0.001170
      3.70609      3.56099      9.99091         0.002403      0.001466     -0.000505
      2.47728      5.69999     10.10188         0.008626     -0.004980      0.000097
      1.23500      7.85812     10.02934         0.007000      0.000197     -0.001841
      0.00097      9.98454      9.96212        -0.004123      0.002953      0.000123
      7.40775      1.42835      9.94716         0.001425     -0.001210      0.000352
      6.17276      3.56640      9.96186         0.005387     -0.003110     -0.000849
      4.94411      5.70531      9.99091        -0.000068     -0.002815     -0.000505
      3.70968      7.84638      9.98404         0.000957     -0.008987      0.000243
      2.47098      9.98487      9.95290         0.002675      0.008233      0.000134
      9.87735      1.42756      9.93687         0.002522     -0.001456     -0.003050
      8.64186      3.56590      9.94716         0.001761     -0.000629      0.000352
      7.40977      5.70466      9.95374        -0.001600      0.002987     -0.001170
      6.17650      7.84388      9.95345        -0.005623      0.002850     -0.000109
      4.94093      9.98346      9.93926         0.001930     -0.006402     -0.001962
 -----------------------------------------------------------------------------------
    total drift:                               -0.001830      0.000313      0.004220


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




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


    WAVPRE:  VPU time    1.93: CPU time    1.92
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.34: CPU time    1.34
    ORTHCH:  VPU time  184.58: CPU time   92.56
     LOOP+:  VPU time 5433.83: CPU time 2797.97


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


    POTLOK:  VPU time    9.21: CPU time    9.11
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1794.56: CPU time  925.68
 BZINTS: Fermi energy: -3.155867;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  113.15: CPU time   57.14
    MIXING:  VPU time    0.15: CPU time    0.14
    ------------------------------------------
      LOOP:  VPU time 1917.49: CPU time  992.44

 eigenvalue-minimisations  :  5872
 total energy-change (2. order) :-0.4716451E+03  (-0.1692411E-02)
 number of electron  212.0000066 magnetization    0.0000000
 augmentation part     7.9607085 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.27908E-02    rms(broyden)= 0.27899E-02
  rms(prec ) = 0.30071E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34049.38915163
  -1/2 Hartree   DENC   =    -40948.99424210
  -V(xc)+E(xc)   XCENC  =       726.61045282
  PAW double counting   =      4092.96363904    -4131.34465876
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.70926689
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64507066 eV

  energy without entropy =     -471.64507066  energy(sigma->0) =     -471.64507066


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




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


    POTLOK:  VPU time    9.00: CPU time    9.01
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1722.29: CPU time  887.43
 BZINTS: Fermi energy: -3.157313;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1731.71: CPU time  896.81

 eigenvalue-minimisations  :  5520
 total energy-change (2. order) :-0.1353647E-04  (-0.3393461E-04)
 number of electron  212.0000066 magnetization    0.0000000
 augmentation part     7.9607085 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34049.38915163
  -1/2 Hartree   DENC   =    -40949.10003408
  -V(xc)+E(xc)   XCENC  =       726.61556626
  PAW double counting   =      4093.01678246    -4131.39674975
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.60965431
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64508419 eV

  energy without entropy =     -471.64508419  energy(sigma->0) =     -471.64508419


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




 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 -58.5382       2 -39.9795       3 -39.9795       4 -58.2460       5 -58.2504
       6 -58.2576       7 -58.2485       8 -58.2467       9 -58.2467      10 -58.2626
      11 -58.3172      12 -58.2939      13 -58.2519      14 -58.2485      15 -58.2594
      16 -58.4397      17 -58.7329      18 -58.2940      19 -58.2576      20 -58.2522
      21 -58.2793      22 -58.4397      23 -58.3172      24 -58.2504      25 -58.2456
      26 -58.2522      27 -58.2594      28 -58.2626      29 -58.2503      30 -58.2625
      31 -58.2593      32 -58.2521      33 -58.2455      34 -58.2575      35 -58.3171
      36 -58.4397      37 -58.2792      38 -58.2521      39 -58.2484      40 -58.2938
      41 -58.7328      42 -58.4397      43 -58.2593      44 -58.2466      45 -58.2518
      46 -58.2938      47 -58.3171      48 -58.2625      49 -58.2458      50 -58.2466
      51 -58.2484      52 -58.2575      53 -58.2503
 
 
 
 E-fermi :  -3.1573     XC(G=0):  -2.3470     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     -21.5391      1.00000
      3     -21.4096      1.00000
      4     -21.4083      1.00000
      5     -21.3774      1.00000
      6     -21.3682      1.00000
      7     -21.3612      1.00000
      8     -19.6487      1.00000
      9     -19.5746      1.00000
     10     -19.5673      1.00000
     11     -19.5606      1.00000
     12     -19.5425      1.00000
     13     -19.5400      1.00000
     14     -18.7302      1.00000
     15     -18.6820      1.00000
     16     -18.6740      1.00000
     17     -18.6610      1.00000
     18     -18.6458      1.00000
     19     -18.6437      1.00000
     20     -16.5876      1.00000
     21     -16.5286      1.00000
     22     -16.5263      1.00000
     23     -16.5129      1.00000
     24     -16.4885      1.00000
     25     -16.4871      1.00000
     26     -15.5611      1.00000
     27     -15.5290      1.00000
     28     -15.5279      1.00000
     29     -15.5019      1.00000
     30     -15.4964      1.00000
     31     -15.4911      1.00000
     32     -14.2080      1.00000
     33     -14.1823      1.00000
     34     -14.1699      1.00000
     35     -14.1672      1.00000
     36     -14.1619      1.00000
     37     -14.1506      1.00000
     38     -11.8856      1.00000
     39     -11.8101      1.00000
     40     -11.7939      1.00000
     41     -11.7938      1.00000
     42     -11.7900      1.00000
     43     -11.7844      1.00000
     44     -11.7069      1.00000
     45     -11.7002      1.00000
     46     -11.6747      1.00000
     47     -11.6602      1.00000
     48     -11.6594      1.00000
     49     -11.6530      1.00000
     50     -10.6748      1.00000
     51     -10.3309      1.00000
     52     -10.3231      1.00000
     53     -10.3076      1.00000
     54     -10.3061      1.00000
     55     -10.2933      1.00000
     56     -10.2803      1.00000
     57      -9.9283      1.00000
     58      -9.3746      1.00000
     59      -9.3609      1.00000
     60      -9.3020      1.00000
     61      -9.2937      1.00000
     62      -9.2872      1.00000
     63      -9.0940      1.00000
     64      -9.0567      1.00000
     65      -9.0511      1.00000
     66      -9.0287      1.00000
     67      -9.0091      1.00000
     68      -9.0031      1.00000
     69      -9.0026      1.00000
     70      -8.9971      1.00000
     71      -8.9937      1.00000
     72      -8.9737      1.00000
     73      -8.9658      1.00000
     74      -8.9563      1.00000
     75      -8.4989      1.00000
     76      -7.5124      1.00000
     77      -7.4125      1.00000
     78      -7.4124      1.00000
     79      -7.4012      1.00000
     80      -7.3847      1.00000
     81      -7.3664      1.00000
     82      -7.3424      1.00000
     83      -7.3118      1.00000
     84      -7.2703      1.00000
     85      -7.2078      1.00000
     86      -7.1816      1.00000
     87      -7.1814      1.00000
     88      -7.0740      1.00000
     89      -6.5097      1.00000
     90      -6.4623      1.00000
     91      -6.3561      1.00000
     92      -6.2949      1.00000
     93      -6.2892      1.00000
     94      -6.2882      1.00000
     95      -5.8984      1.00000
     96      -5.8868      1.00000
     97      -5.0469      1.00000
     98      -4.9359      1.00000
     99      -4.5394      1.00000
    100      -4.3420      1.00000
    101      -4.3193      1.00000
    102      -4.3184      1.00000
    103      -4.1165      1.00000
    104      -3.9130      1.00000
    105      -3.9027      1.00000
    106      -3.8330      1.00000
    107      -1.6828      0.00000
    108      -1.6693      0.00000
    109      -1.5377      0.00000
    110      -1.5357      0.00000
    111      -1.5243      0.00000
    112      -1.5101      0.00000
    113      -0.5876      0.00000
    114       0.1329      0.00000
    115       0.2056      0.00000
    116       0.3238      0.00000
    117       0.3256      0.00000
    118       0.3332      0.00000
    119       0.4940      0.00000
    120       0.5923      0.00000
    121       1.2578      0.00000
    122       1.2693      0.00000
    123       1.5199      0.00000
    124       1.7929      0.00000
    125       1.8011      0.00000
    126       1.8041      0.00000
    127       1.8087      0.00000
    128       1.9442      0.00000
    129       1.9763      0.00000
    130       2.0310      0.00000
    131       2.0450      0.00000
    132       2.0502      0.00000
    133       2.0542      0.00000
    134       2.0572      0.00000
    135       2.3015      0.00000
    136       2.3220      0.00000
    137       2.6073      0.00000
    138       2.6140      0.00000
    139       2.6416      0.00000
    140       2.7201      0.00000
    141       2.8591      0.00000
    142       3.0239      0.00000
    143       3.0536      0.00000
    144       3.0845      0.00000
    145       3.0911      0.00000
    146       3.0973      0.00000
    147       3.0986      0.00000
    148       3.2273      0.00000
    149       3.4419      0.00000
    150       3.5364      0.00000
    151       3.7853      0.00000
    152       3.9443      0.00000
    153       3.9465      0.00000
    154       3.9524      0.00000
    155       3.9579      0.00000
    156       3.9956      0.00000
    157       4.1766      0.00000
    158       4.2618      0.00000
    159       4.2849      0.00000
    160       4.2853      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3224      1.00000
      2     -21.7637      1.00000
      3     -21.5732      1.00000
      4     -21.5403      1.00000
      5     -21.2101      1.00000
      6     -21.1653      1.00000
      7     -20.9896      1.00000
      8     -20.1041      1.00000
      9     -20.0599      1.00000
     10     -19.5485      1.00000
     11     -19.5239      1.00000
     12     -19.3515      1.00000
     13     -19.0269      1.00000
     14     -18.9918      1.00000
     15     -18.9836      1.00000
     16     -18.9714      1.00000
     17     -18.2995      1.00000
     18     -18.2803      1.00000
     19     -17.9542      1.00000
     20     -17.0117      1.00000
     21     -16.9616      1.00000
     22     -16.8807      1.00000
     23     -16.8706      1.00000
     24     -16.4068      1.00000
     25     -16.3919      1.00000
     26     -15.5540      1.00000
     27     -15.5381      1.00000
     28     -15.1996      1.00000
     29     -15.1712      1.00000
     30     -15.1169      1.00000
     31     -15.0300      1.00000
     32     -15.0049      1.00000
     33     -14.6382      1.00000
     34     -14.6265      1.00000
     35     -13.6693      1.00000
     36     -13.6539      1.00000
     37     -13.1717      1.00000
     38     -12.5530      1.00000
     39     -12.5195      1.00000
     40     -12.3933      1.00000
     41     -12.3803      1.00000
     42     -12.0590      1.00000
     43     -12.0361      1.00000
     44     -11.6611      1.00000
     45     -11.6191      1.00000
     46     -11.1821      1.00000
     47     -11.1586      1.00000
     48     -10.9669      1.00000
     49     -10.9430      1.00000
     50     -10.8754      1.00000
     51     -10.8393      1.00000
     52     -10.6040      1.00000
     53     -10.0952      1.00000
     54     -10.0908      1.00000
     55     -10.0476      1.00000
     56      -9.9727      1.00000
     57      -9.6559      1.00000
     58      -9.6315      1.00000
     59      -9.5939      1.00000
     60      -9.5313      1.00000
     61      -9.5122      1.00000
     62      -9.4810      1.00000
     63      -9.2661      1.00000
     64      -9.2433      1.00000
     65      -9.2228      1.00000
     66      -9.1680      1.00000
     67      -9.0702      1.00000
     68      -9.0491      1.00000
     69      -9.0427      1.00000
     70      -8.8845      1.00000
     71      -8.8080      1.00000
     72      -8.5787      1.00000
     73      -8.5242      1.00000
     74      -8.4613      1.00000
     75      -8.0369      1.00000
     76      -7.8126      1.00000
     77      -7.8083      1.00000
     78      -7.7943      1.00000
     79      -7.7023      1.00000
     80      -7.6925      1.00000
     81      -7.3620      1.00000
     82      -7.2757      1.00000
     83      -7.2660      1.00000
     84      -7.2163      1.00000
     85      -7.1736      1.00000
     86      -7.0098      1.00000
     87      -6.9488      1.00000
     88      -6.7478      1.00000
     89      -6.6736      1.00000
     90      -6.5954      1.00000
     91      -6.5607      1.00000
     92      -6.0520      1.00000
     93      -6.0483      1.00000
     94      -6.0228      1.00000
     95      -5.9605      1.00000
     96      -5.7378      1.00000
     97      -5.1555      1.00000
     98      -4.9894      1.00000
     99      -4.7197      1.00000
    100      -4.6122      1.00000
    101      -4.4407      1.00000
    102      -4.3742      1.00000
    103      -4.1226      1.00000
    104      -3.8690      1.00000
    105      -3.8331      1.00000
    106      -3.7918      1.00000
    107      -1.7864      0.00000
    108      -1.7397      0.00000
    109      -1.3957      0.00000
    110      -1.3469      0.00000
    111      -1.2658      0.00000
    112      -1.2268      0.00000
    113      -0.7466      0.00000
    114      -0.3806      0.00000
    115      -0.2211      0.00000
    116      -0.0201      0.00000
    117       0.5871      0.00000
    118       0.7351      0.00000
    119       0.7633      0.00000
    120       1.0489      0.00000
    121       1.1406      0.00000
    122       1.2487      0.00000
    123       1.2687      0.00000
    124       1.4115      0.00000
    125       1.4763      0.00000
    126       1.5794      0.00000
    127       1.7544      0.00000
    128       1.8383      0.00000
    129       1.8951      0.00000
    130       1.9572      0.00000
    131       2.1025      0.00000
    132       2.2302      0.00000
    133       2.2464      0.00000
    134       2.2918      0.00000
    135       2.4863      0.00000
    136       2.6092      0.00000
    137       2.6343      0.00000
    138       2.7633      0.00000
    139       2.7954      0.00000
    140       2.8558      0.00000
    141       2.8649      0.00000
    142       2.8912      0.00000
    143       2.9544      0.00000
    144       3.0769      0.00000
    145       3.2789      0.00000
    146       3.2996      0.00000
    147       3.3724      0.00000
    148       3.4045      0.00000
    149       3.4643      0.00000
    150       3.5844      0.00000
    151       3.6338      0.00000
    152       3.6683      0.00000
    153       3.7060      0.00000
    154       3.9027      0.00000
    155       3.9367      0.00000
    156       3.9789      0.00000
    157       4.0792      0.00000
    158       4.1981      0.00000
    159       4.2426      0.00000
    160       4.2940      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2167      1.00000
      2     -22.0104      1.00000
      3     -21.6518      1.00000
      4     -21.6147      1.00000
      5     -20.9154      1.00000
      6     -20.8690      1.00000
      7     -20.5481      1.00000
      8     -20.5088      1.00000
      9     -20.4983      1.00000
     10     -19.9660      1.00000
     11     -19.4447      1.00000
     12     -19.4177      1.00000
     13     -19.2438      1.00000
     14     -19.2295      1.00000
     15     -18.3864      1.00000
     16     -18.3421      1.00000
     17     -17.8622      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     -17.2765      1.00000
     24     -16.4032      1.00000
     25     -16.3884      1.00000
     26     -15.8989      1.00000
     27     -15.3547      1.00000
     28     -15.3394      1.00000
     29     -15.0368      1.00000
     30     -15.0231      1.00000
     31     -14.8014      1.00000
     32     -14.7768      1.00000
     33     -14.2241      1.00000
     34     -14.1918      1.00000
     35     -13.3731      1.00000
     36     -13.3391      1.00000
     37     -13.1218      1.00000
     38     -13.1043      1.00000
     39     -12.9188      1.00000
     40     -12.9054      1.00000
     41     -12.5586      1.00000
     42     -12.5407      1.00000
     43     -12.1352      1.00000
     44     -11.5239      1.00000
     45     -11.4760      1.00000
     46     -11.2556      1.00000
     47     -11.2220      1.00000
     48     -11.0815      1.00000
     49     -10.6604      1.00000
     50     -10.5907      1.00000
     51     -10.5249      1.00000
     52     -10.2600      1.00000
     53     -10.2511      1.00000
     54     -10.1244      1.00000
     55     -10.0506      1.00000
     56     -10.0428      1.00000
     57      -9.7715      1.00000
     58      -9.7075      1.00000
     59      -9.6820      1.00000
     60      -9.6323      1.00000
     61      -9.6287      1.00000
     62      -9.5897      1.00000
     63      -9.2964      1.00000
     64      -9.2873      1.00000
     65      -9.2550      1.00000
     66      -9.0890      1.00000
     67      -8.8993      1.00000
     68      -8.8853      1.00000
     69      -8.7265      1.00000
     70      -8.5906      1.00000
     71      -8.5159      1.00000
     72      -8.3326      1.00000
     73      -8.3042      1.00000
     74      -8.2661      1.00000
     75      -8.2350      1.00000
     76      -8.1968      1.00000
     77      -8.1879      1.00000
     78      -8.1724      1.00000
     79      -8.1027      1.00000
     80      -7.6900      1.00000
     81      -7.3551      1.00000
     82      -7.3117      1.00000
     83      -7.2657      1.00000
     84      -7.1886      1.00000
     85      -7.1258      1.00000
     86      -7.0781      1.00000
     87      -6.9085      1.00000
     88      -6.8838      1.00000
     89      -6.5509      1.00000
     90      -6.4942      1.00000
     91      -6.2112      1.00000
     92      -6.0705      1.00000
     93      -5.9428      1.00000
     94      -5.7158      1.00000
     95      -5.6342      1.00000
     96      -5.4535      1.00000
     97      -5.3060      1.00000
     98      -5.2355      1.00000
     99      -5.1536      1.00000
    100      -5.1528      1.00000
    101      -4.5225      1.00000
    102      -4.4705      1.00000
    103      -4.1425      1.00000
    104      -3.8363      1.00000
    105      -3.7582      1.00000
    106      -3.6811      1.00000
    107      -1.8722      0.00000
    108      -1.8251      0.00000
    109      -1.2785      0.00000
    110      -1.0370      0.00000
    111      -1.0129      0.00000
    112      -0.7137      0.00000
    113      -0.6408      0.00000
    114      -0.5892      0.00000
    115      -0.5469      0.00000
    116      -0.2046      0.00000
    117       0.2513      0.00000
    118       0.2779      0.00000
    119       0.7568      0.00000
    120       0.9421      0.00000
    121       1.1309      0.00000
    122       1.2246      0.00000
    123       1.3182      0.00000
    124       1.4092      0.00000
    125       1.5980      0.00000
    126       1.6326      0.00000
    127       1.6973      0.00000
    128       1.8213      0.00000
    129       1.9140      0.00000
    130       2.0080      0.00000
    131       2.1058      0.00000
    132       2.3250      0.00000
    133       2.3943      0.00000
    134       2.4294      0.00000
    135       2.5356      0.00000
    136       2.6320      0.00000
    137       2.7549      0.00000
    138       2.8169      0.00000
    139       2.8296      0.00000
    140       2.8859      0.00000
    141       3.0414      0.00000
    142       3.0874      0.00000
    143       3.1822      0.00000
    144       3.2346      0.00000
    145       3.3824      0.00000
    146       3.4197      0.00000
    147       3.4793      0.00000
    148       3.5733      0.00000
    149       3.5972      0.00000
    150       3.6256      0.00000
    151       3.6483      0.00000
    152       3.7394      0.00000
    153       3.7680      0.00000
    154       3.7830      0.00000
    155       3.8055      0.00000
    156       3.8906      0.00000
    157       3.9742      0.00000
    158       4.0028      0.00000
    159       4.1730      0.00000
    160       4.2347      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2505      1.00000
      2     -21.8960      1.00000
      3     -21.8258      1.00000
      4     -21.3142      1.00000
      5     -21.2838      1.00000
      6     -20.7727      1.00000
      7     -20.7072      1.00000
      8     -20.5586      1.00000
      9     -20.0112      1.00000
     10     -20.0036      1.00000
     11     -19.6503      1.00000
     12     -19.6258      1.00000
     13     -18.9317      1.00000
     14     -18.9231      1.00000
     15     -18.5728      1.00000
     16     -18.5586      1.00000
     17     -18.3961      1.00000
     18     -17.6169      1.00000
     19     -17.5606      1.00000
     20     -17.5557      1.00000
     21     -17.5144      1.00000
     22     -17.0580      1.00000
     23     -17.0399      1.00000
     24     -16.8931      1.00000
     25     -15.9313      1.00000
     26     -15.8696      1.00000
     27     -15.5185      1.00000
     28     -15.5178      1.00000
     29     -15.2303      1.00000
     30     -14.7967      1.00000
     31     -14.7691      1.00000
     32     -14.5171      1.00000
     33     -14.4732      1.00000
     34     -14.1034      1.00000
     35     -14.0926      1.00000
     36     -13.0780      1.00000
     37     -13.0353      1.00000
     38     -12.9689      1.00000
     39     -12.9565      1.00000
     40     -12.6473      1.00000
     41     -12.6405      1.00000
     42     -12.2761      1.00000
     43     -12.2450      1.00000
     44     -11.5890      1.00000
     45     -11.5621      1.00000
     46     -11.5085      1.00000
     47     -10.9060      1.00000
     48     -10.8530      1.00000
     49     -10.6228      1.00000
     50     -10.5611      1.00000
     51     -10.4862      1.00000
     52     -10.4354      1.00000
     53     -10.4256      1.00000
     54     -10.3727      1.00000
     55     -10.2959      1.00000
     56     -10.0669      1.00000
     57      -9.8352      1.00000
     58      -9.5503      1.00000
     59      -9.4904      1.00000
     60      -9.4720      1.00000
     61      -9.3480      1.00000
     62      -9.3327      1.00000
     63      -9.3124      1.00000
     64      -9.3101      1.00000
     65      -9.2160      1.00000
     66      -9.1134      1.00000
     67      -9.0821      1.00000
     68      -9.0515      1.00000
     69      -8.8495      1.00000
     70      -8.7944      1.00000
     71      -8.7758      1.00000
     72      -8.5289      1.00000
     73      -8.4770      1.00000
     74      -8.2234      1.00000
     75      -8.1117      1.00000
     76      -8.1012      1.00000
     77      -7.8093      1.00000
     78      -7.7852      1.00000
     79      -7.7830      1.00000
     80      -7.6752      1.00000
     81      -7.6335      1.00000
     82      -7.6318      1.00000
     83      -7.4008      1.00000
     84      -7.3261      1.00000
     85      -7.1979      1.00000
     86      -6.8408      1.00000
     87      -6.8308      1.00000
     88      -6.6627      1.00000
     89      -6.5399      1.00000
     90      -6.3460      1.00000
     91      -6.3087      1.00000
     92      -6.1855      1.00000
     93      -6.1487      1.00000
     94      -5.9786      1.00000
     95      -5.5730      1.00000
     96      -5.4273      1.00000
     97      -5.2599      1.00000
     98      -5.2499      1.00000
     99      -5.1505      1.00000
    100      -4.6967      1.00000
    101      -4.6657      1.00000
    102      -4.3495      1.00000
    103      -4.3154      1.00000
    104      -3.9647      1.00000
    105      -3.8294      1.00000
    106      -3.3910      1.00000
    107      -2.2214      0.00000
    108      -1.3778      0.00000
    109      -1.2877      0.00000
    110      -1.1743      0.00000
    111      -1.0790      0.00000
    112      -0.8948      0.00000
    113      -0.7692      0.00000
    114      -0.7581      0.00000
    115      -0.2206      0.00000
    116       0.1125      0.00000
    117       0.2628      0.00000
    118       0.3451      0.00000
    119       0.7308      0.00000
    120       0.9033      0.00000
    121       0.9703      0.00000
    122       1.0919      0.00000
    123       1.2038      0.00000
    124       1.5272      0.00000
    125       1.5600      0.00000
    126       1.7087      0.00000
    127       1.8373      0.00000
    128       1.8612      0.00000
    129       1.9671      0.00000
    130       1.9931      0.00000
    131       2.1571      0.00000
    132       2.2639      0.00000
    133       2.4521      0.00000
    134       2.4646      0.00000
    135       2.5042      0.00000
    136       2.6653      0.00000
    137       2.6845      0.00000
    138       2.7291      0.00000
    139       2.7427      0.00000
    140       2.8881      0.00000
    141       3.0192      0.00000
    142       3.0811      0.00000
    143       3.1954      0.00000
    144       3.2482      0.00000
    145       3.2553      0.00000
    146       3.2645      0.00000
    147       3.3577      0.00000
    148       3.4783      0.00000
    149       3.5250      0.00000
    150       3.6950      0.00000
    151       3.7477      0.00000
    152       3.7695      0.00000
    153       3.8320      0.00000
    154       3.8754      0.00000
    155       3.9396      0.00000
    156       3.9841      0.00000
    157       4.0224      0.00000
    158       4.0455      0.00000
    159       4.0523      0.00000
    160       4.1169      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1444      1.00000
      2     -22.0494      1.00000
      3     -21.8892      1.00000
      4     -21.3371      1.00000
      5     -20.9841      1.00000
      6     -20.9458      1.00000
      7     -20.4356      1.00000
      8     -20.3932      1.00000
      9     -20.2290      1.00000
     10     -20.2076      1.00000
     11     -19.8914      1.00000
     12     -19.8238      1.00000
     13     -18.8171      1.00000
     14     -18.7460      1.00000
     15     -18.2920      1.00000
     16     -18.2389      1.00000
     17     -18.0880      1.00000
     18     -18.0680      1.00000
     19     -17.7635      1.00000
     20     -17.7215      1.00000
     21     -17.1909      1.00000
     22     -17.1719      1.00000
     23     -17.1016      1.00000
     24     -17.0658      1.00000
     25     -16.0404      1.00000
     26     -15.8252      1.00000
     27     -15.8021      1.00000
     28     -15.7664      1.00000
     29     -15.1756      1.00000
     30     -14.4931      1.00000
     31     -14.4606      1.00000
     32     -14.2196      1.00000
     33     -13.8974      1.00000
     34     -13.8922      1.00000
     35     -13.7580      1.00000
     36     -13.7377      1.00000
     37     -13.5535      1.00000
     38     -13.5052      1.00000
     39     -13.3026      1.00000
     40     -12.5668      1.00000
     41     -12.1268      1.00000
     42     -12.0681      1.00000
     43     -12.0122      1.00000
     44     -11.9538      1.00000
     45     -11.6129      1.00000
     46     -11.5901      1.00000
     47     -11.0868      1.00000
     48     -11.0538      1.00000
     49     -10.7546      1.00000
     50     -10.6659      1.00000
     51     -10.5274      1.00000
     52     -10.1509      1.00000
     53     -10.1404      1.00000
     54     -10.0981      1.00000
     55      -9.9552      1.00000
     56      -9.9499      1.00000
     57      -9.9192      1.00000
     58      -9.7394      1.00000
     59      -9.7336      1.00000
     60      -9.7025      1.00000
     61      -9.6924      1.00000
     62      -9.4306      1.00000
     63      -9.3650      1.00000
     64      -9.0874      1.00000
     65      -9.0089      1.00000
     66      -8.9765      1.00000
     67      -8.8896      1.00000
     68      -8.8131      1.00000
     69      -8.6597      1.00000
     70      -8.6371      1.00000
     71      -8.5800      1.00000
     72      -8.4802      1.00000
     73      -8.4693      1.00000
     74      -8.3999      1.00000
     75      -8.3963      1.00000
     76      -8.1856      1.00000
     77      -8.1157      1.00000
     78      -7.9788      1.00000
     79      -7.9168      1.00000
     80      -7.8487      1.00000
     81      -7.6189      1.00000
     82      -7.5320      1.00000
     83      -7.4704      1.00000
     84      -7.2530      1.00000
     85      -6.9361      1.00000
     86      -6.8594      1.00000
     87      -6.8130      1.00000
     88      -6.5751      1.00000
     89      -6.4683      1.00000
     90      -6.4221      1.00000
     91      -6.3582      1.00000
     92      -6.0527      1.00000
     93      -5.8785      1.00000
     94      -5.7542      1.00000
     95      -5.7232      1.00000
     96      -5.4777      1.00000
     97      -5.3468      1.00000
     98      -5.1816      1.00000
     99      -5.1576      1.00000
    100      -5.1558      1.00000
    101      -4.7082      1.00000
    102      -4.4408      1.00000
    103      -4.2557      1.00000
    104      -3.9960      1.00000
    105      -3.8282      1.00000
    106      -3.1575      1.00000
    107      -2.4643      0.00000
    108      -1.3801      0.00000
    109      -1.2422      0.00000
    110      -1.1472      0.00000
    111      -1.1156      0.00000
    112      -0.5652      0.00000
    113      -0.4355      0.00000
    114      -0.4310      0.00000
    115      -0.3110      0.00000
    116      -0.1913      0.00000
    117       0.0611      0.00000
    118       0.1156      0.00000
    119       0.5392      0.00000
    120       0.6829      0.00000
    121       0.8683      0.00000
    122       0.9641      0.00000
    123       1.1074      0.00000
    124       1.4918      0.00000
    125       1.6582      0.00000
    126       1.7980      0.00000
    127       1.8702      0.00000
    128       2.0888      0.00000
    129       2.1395      0.00000
    130       2.1929      0.00000
    131       2.2127      0.00000
    132       2.3392      0.00000
    133       2.3598      0.00000
    134       2.4845      0.00000
    135       2.5758      0.00000
    136       2.6652      0.00000
    137       2.8773      0.00000
    138       2.9367      0.00000
    139       2.9633      0.00000
    140       2.9934      0.00000
    141       3.0382      0.00000
    142       3.1478      0.00000
    143       3.1800      0.00000
    144       3.2430      0.00000
    145       3.2874      0.00000
    146       3.3308      0.00000
    147       3.3480      0.00000
    148       3.3778      0.00000
    149       3.4056      0.00000
    150       3.4932      0.00000
    151       3.5455      0.00000
    152       3.6283      0.00000
    153       3.6923      0.00000
    154       3.7062      0.00000
    155       3.7204      0.00000
    156       3.9179      0.00000
    157       3.9342      0.00000
    158       4.0527      0.00000
    159       4.0840      0.00000
    160       4.1963      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2503      1.00000
      2     -21.8977      1.00000
      3     -21.8241      1.00000
      4     -21.3187      1.00000
      5     -21.2800      1.00000
      6     -20.7739      1.00000
      7     -20.7050      1.00000
      8     -20.5570      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     -18.5861      1.00000
     16     -18.5491      1.00000
     17     -18.3943      1.00000
     18     -17.6040      1.00000
     19     -17.5727      1.00000
     20     -17.5433      1.00000
     21     -17.5105      1.00000
     22     -17.0763      1.00000
     23     -17.0298      1.00000
     24     -16.9021      1.00000
     25     -15.9474      1.00000
     26     -15.8536      1.00000
     27     -15.5353      1.00000
     28     -15.5088      1.00000
     29     -15.2113      1.00000
     30     -14.8158      1.00000
     31     -14.7636      1.00000
     32     -14.5114      1.00000
     33     -14.4696      1.00000
     34     -14.0983      1.00000
     35     -14.0952      1.00000
     36     -13.1067      1.00000
     37     -13.0318      1.00000
     38     -12.9584      1.00000
     39     -12.9514      1.00000
     40     -12.6575      1.00000
     41     -12.6293      1.00000
     42     -12.2765      1.00000
     43     -12.2494      1.00000
     44     -11.5749      1.00000
     45     -11.5554      1.00000
     46     -11.5028      1.00000
     47     -10.8800      1.00000
     48     -10.8709      1.00000
     49     -10.6831      1.00000
     50     -10.5269      1.00000
     51     -10.5218      1.00000
     52     -10.4356      1.00000
     53     -10.4180      1.00000
     54     -10.3718      1.00000
     55     -10.2898      1.00000
     56     -10.0625      1.00000
     57      -9.8338      1.00000
     58      -9.5606      1.00000
     59      -9.4863      1.00000
     60      -9.4460      1.00000
     61      -9.3578      1.00000
     62      -9.3410      1.00000
     63      -9.3096      1.00000
     64      -9.3042      1.00000
     65      -9.2077      1.00000
     66      -9.1012      1.00000
     67      -9.0702      1.00000
     68      -9.0511      1.00000
     69      -8.8525      1.00000
     70      -8.7988      1.00000
     71      -8.7796      1.00000
     72      -8.5286      1.00000
     73      -8.4983      1.00000
     74      -8.2284      1.00000
     75      -8.1314      1.00000
     76      -8.0946      1.00000
     77      -7.8078      1.00000
     78      -7.7691      1.00000
     79      -7.7411      1.00000
     80      -7.7047      1.00000
     81      -7.6369      1.00000
     82      -7.6262      1.00000
     83      -7.3883      1.00000
     84      -7.3451      1.00000
     85      -7.2177      1.00000
     86      -6.8452      1.00000
     87      -6.8221      1.00000
     88      -6.6408      1.00000
     89      -6.5305      1.00000
     90      -6.3428      1.00000
     91      -6.2739      1.00000
     92      -6.1968      1.00000
     93      -6.1336      1.00000
     94      -6.0222      1.00000
     95      -5.6373      1.00000
     96      -5.5095      1.00000
     97      -5.2990      1.00000
     98      -5.1572      1.00000
     99      -5.0407      1.00000
    100      -4.7269      1.00000
    101      -4.6864      1.00000
    102      -4.3685      1.00000
    103      -4.1857      1.00000
    104      -4.0090      1.00000
    105      -3.8277      1.00000
    106      -3.4854      1.00000
    107      -2.1656      0.00000
    108      -1.3845      0.00000
    109      -1.2368      0.00000
    110      -1.1860      0.00000
    111      -1.0151      0.00000
    112      -0.9567      0.00000
    113      -0.7984      0.00000
    114      -0.7532      0.00000
    115      -0.3675      0.00000
    116       0.2442      0.00000
    117       0.2757      0.00000
    118       0.3633      0.00000
    119       0.6968      0.00000
    120       0.8675      0.00000
    121       0.9648      0.00000
    122       1.1232      0.00000
    123       1.2325      0.00000
    124       1.4521      0.00000
    125       1.5516      0.00000
    126       1.7792      0.00000
    127       1.8494      0.00000
    128       1.8813      0.00000
    129       1.9820      0.00000
    130       2.0273      0.00000
    131       2.1948      0.00000
    132       2.2070      0.00000
    133       2.3990      0.00000
    134       2.4534      0.00000
    135       2.5485      0.00000
    136       2.6570      0.00000
    137       2.6838      0.00000
    138       2.7259      0.00000
    139       2.7666      0.00000
    140       2.8491      0.00000
    141       2.9626      0.00000
    142       3.0789      0.00000
    143       3.1890      0.00000
    144       3.2367      0.00000
    145       3.2519      0.00000
    146       3.2918      0.00000
    147       3.3310      0.00000
    148       3.4774      0.00000
    149       3.5056      0.00000
    150       3.7069      0.00000
    151       3.7192      0.00000
    152       3.7692      0.00000
    153       3.8571      0.00000
    154       3.8705      0.00000
    155       3.8978      0.00000
    156       3.9956      0.00000
    157       3.9995      0.00000
    158       4.0500      0.00000
    159       4.0608      0.00000
    160       4.0857      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     -21.5704      1.00000
      4     -21.5430      1.00000
      5     -21.2077      1.00000
      6     -21.1685      1.00000
      7     -20.9882      1.00000
      8     -20.1012      1.00000
      9     -20.0621      1.00000
     10     -19.5489      1.00000
     11     -19.5284      1.00000
     12     -19.3471      1.00000
     13     -19.0306      1.00000
     14     -18.9904      1.00000
     15     -18.9800      1.00000
     16     -18.9739      1.00000
     17     -18.2984      1.00000
     18     -18.2845      1.00000
     19     -17.9484      1.00000
     20     -17.0026      1.00000
     21     -16.9615      1.00000
     22     -16.8847      1.00000
     23     -16.8715      1.00000
     24     -16.4180      1.00000
     25     -16.3955      1.00000
     26     -15.5432      1.00000
     27     -15.5399      1.00000
     28     -15.1748      1.00000
     29     -15.1737      1.00000
     30     -15.1330      1.00000
     31     -15.0388      1.00000
     32     -15.0026      1.00000
     33     -14.6355      1.00000
     34     -14.6289      1.00000
     35     -13.6647      1.00000
     36     -13.6552      1.00000
     37     -13.1728      1.00000
     38     -12.5751      1.00000
     39     -12.5146      1.00000
     40     -12.3878      1.00000
     41     -12.3875      1.00000
     42     -12.0370      1.00000
     43     -12.0334      1.00000
     44     -11.6573      1.00000
     45     -11.6171      1.00000
     46     -11.2083      1.00000
     47     -11.1586      1.00000
     48     -10.9573      1.00000
     49     -10.9441      1.00000
     50     -10.8627      1.00000
     51     -10.8306      1.00000
     52     -10.6262      1.00000
     53     -10.1481      1.00000
     54     -10.0864      1.00000
     55     -10.0268      1.00000
     56      -9.9476      1.00000
     57      -9.6334      1.00000
     58      -9.6312      1.00000
     59      -9.6048      1.00000
     60      -9.5421      1.00000
     61      -9.5055      1.00000
     62      -9.4809      1.00000
     63      -9.2744      1.00000
     64      -9.2372      1.00000
     65      -9.2091      1.00000
     66      -9.1817      1.00000
     67      -9.0642      1.00000
     68      -9.0488      1.00000
     69      -9.0453      1.00000
     70      -8.8787      1.00000
     71      -8.8109      1.00000
     72      -8.5374      1.00000
     73      -8.5344      1.00000
     74      -8.5019      1.00000
     75      -8.0325      1.00000
     76      -7.8334      1.00000
     77      -7.8018      1.00000
     78      -7.7759      1.00000
     79      -7.7054      1.00000
     80      -7.6857      1.00000
     81      -7.4115      1.00000
     82      -7.2898      1.00000
     83      -7.2529      1.00000
     84      -7.2046      1.00000
     85      -7.0831      1.00000
     86      -7.0749      1.00000
     87      -6.9399      1.00000
     88      -6.7129      1.00000
     89      -6.6757      1.00000
     90      -6.6304      1.00000
     91      -6.5585      1.00000
     92      -6.0728      1.00000
     93      -6.0330      1.00000
     94      -6.0024      1.00000
     95      -5.9394      1.00000
     96      -5.8011      1.00000
     97      -5.1810      1.00000
     98      -4.8945      1.00000
     99      -4.7947      1.00000
    100      -4.6121      1.00000
    101      -4.5131      1.00000
    102      -4.1408      1.00000
    103      -4.0926      1.00000
    104      -3.9320      1.00000
    105      -3.9170      1.00000
    106      -3.8270      1.00000
    107      -1.7528      0.00000
    108      -1.6974      0.00000
    109      -1.4114      0.00000
    110      -1.3725      0.00000
    111      -1.2657      0.00000
    112      -1.2364      0.00000
    113      -0.6257      0.00000
    114      -0.5993      0.00000
    115      -0.1909      0.00000
    116       0.0407      0.00000
    117       0.5809      0.00000
    118       0.7397      0.00000
    119       0.8485      0.00000
    120       0.9262      0.00000
    121       1.1671      0.00000
    122       1.2093      0.00000
    123       1.2445      0.00000
    124       1.4161      0.00000
    125       1.5960      0.00000
    126       1.6330      0.00000
    127       1.7014      0.00000
    128       1.8031      0.00000
    129       1.9215      0.00000
    130       1.9390      0.00000
    131       2.1431      0.00000
    132       2.1698      0.00000
    133       2.2586      0.00000
    134       2.2973      0.00000
    135       2.5384      0.00000
    136       2.5543      0.00000
    137       2.6344      0.00000
    138       2.7582      0.00000
    139       2.8070      0.00000
    140       2.8447      0.00000
    141       2.8929      0.00000
    142       2.9390      0.00000
    143       3.0103      0.00000
    144       3.0246      0.00000
    145       3.0827      0.00000
    146       3.3049      0.00000
    147       3.3675      0.00000
    148       3.4163      0.00000
    149       3.4758      0.00000
    150       3.6032      0.00000
    151       3.6556      0.00000
    152       3.6634      0.00000
    153       3.6772      0.00000
    154       3.8876      0.00000
    155       3.9740      0.00000
    156       4.0205      0.00000
    157       4.0698      0.00000
    158       4.2338      0.00000
    159       4.2550      0.00000
    160       4.2611      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1434      1.00000
      2     -22.0510      1.00000
      3     -21.8886      1.00000
      4     -21.3380      1.00000
      5     -20.9793      1.00000
      6     -20.9498      1.00000
      7     -20.4305      1.00000
      8     -20.3985      1.00000
      9     -20.2186      1.00000
     10     -20.2165      1.00000
     11     -19.8901      1.00000
     12     -19.8267      1.00000
     13     -18.8199      1.00000
     14     -18.7495      1.00000
     15     -18.2682      1.00000
     16     -18.2538      1.00000
     17     -18.0826      1.00000
     18     -18.0758      1.00000
     19     -17.7483      1.00000
     20     -17.7322      1.00000
     21     -17.1970      1.00000
     22     -17.1736      1.00000
     23     -17.0907      1.00000
     24     -17.0704      1.00000
     25     -16.0564      1.00000
     26     -15.8110      1.00000
     27     -15.8014      1.00000
     28     -15.7797      1.00000
     29     -15.1611      1.00000
     30     -14.4879      1.00000
     31     -14.4665      1.00000
     32     -14.2061      1.00000
     33     -13.9184      1.00000
     34     -13.8888      1.00000
     35     -13.7606      1.00000
     36     -13.7408      1.00000
     37     -13.5385      1.00000
     38     -13.5123      1.00000
     39     -13.3041      1.00000
     40     -12.5791      1.00000
     41     -12.1034      1.00000
     42     -12.0789      1.00000
     43     -12.0010      1.00000
     44     -11.9535      1.00000
     45     -11.6074      1.00000
     46     -11.5996      1.00000
     47     -11.0865      1.00000
     48     -11.0631      1.00000
     49     -10.7343      1.00000
     50     -10.6670      1.00000
     51     -10.5599      1.00000
     52     -10.1417      1.00000
     53     -10.1372      1.00000
     54     -10.1029      1.00000
     55      -9.9680      1.00000
     56      -9.9275      1.00000
     57      -9.9234      1.00000
     58      -9.7529      1.00000
     59      -9.7311      1.00000
     60      -9.6991      1.00000
     61      -9.6965      1.00000
     62      -9.4026      1.00000
     63      -9.3915      1.00000
     64      -9.0706      1.00000
     65      -8.9838      1.00000
     66      -8.9836      1.00000
     67      -8.9075      1.00000
     68      -8.8141      1.00000
     69      -8.6515      1.00000
     70      -8.6356      1.00000
     71      -8.5497      1.00000
     72      -8.5039      1.00000
     73      -8.4850      1.00000
     74      -8.3961      1.00000
     75      -8.3845      1.00000
     76      -8.2113      1.00000
     77      -8.1035      1.00000
     78      -8.0086      1.00000
     79      -7.9035      1.00000
     80      -7.8451      1.00000
     81      -7.6225      1.00000
     82      -7.5353      1.00000
     83      -7.4584      1.00000
     84      -7.2501      1.00000
     85      -6.9440      1.00000
     86      -6.8707      1.00000
     87      -6.8114      1.00000
     88      -6.4789      1.00000
     89      -6.4705      1.00000
     90      -6.4112      1.00000
     91      -6.3616      1.00000
     92      -6.1904      1.00000
     93      -5.8593      1.00000
     94      -5.7390      1.00000
     95      -5.7126      1.00000
     96      -5.5244      1.00000
     97      -5.3300      1.00000
     98      -5.1736      1.00000
     99      -5.1687      1.00000
    100      -5.1353      1.00000
    101      -4.6966      1.00000
    102      -4.3490      1.00000
    103      -4.2807      1.00000
    104      -4.0288      1.00000
    105      -3.8292      1.00000
    106      -3.2344      1.00000
    107      -2.4064      0.00000
    108      -1.3466      0.00000
    109      -1.2447      0.00000
    110      -1.1545      0.00000
    111      -1.1094      0.00000
    112      -0.5844      0.00000
    113      -0.5226      0.00000
    114      -0.4349      0.00000
    115      -0.2757      0.00000
    116      -0.0717      0.00000
    117      -0.0121      0.00000
    118       0.0589      0.00000
    119       0.5824      0.00000
    120       0.7097      0.00000
    121       0.8070      0.00000
    122       0.9396      0.00000
    123       1.1791      0.00000
    124       1.5047      0.00000
    125       1.6168      0.00000
    126       1.8533      0.00000
    127       2.0011      0.00000
    128       2.0478      0.00000
    129       2.1083      0.00000
    130       2.1495      0.00000
    131       2.2625      0.00000
    132       2.2843      0.00000
    133       2.3478      0.00000
    134       2.4581      0.00000
    135       2.6069      0.00000
    136       2.6975      0.00000
    137       2.8152      0.00000
    138       2.9143      0.00000
    139       2.9413      0.00000
    140       3.0132      0.00000
    141       3.0464      0.00000
    142       3.1540      0.00000
    143       3.1619      0.00000
    144       3.2238      0.00000
    145       3.2971      0.00000
    146       3.3077      0.00000
    147       3.3514      0.00000
    148       3.3709      0.00000
    149       3.4133      0.00000
    150       3.4392      0.00000
    151       3.5563      0.00000
    152       3.6081      0.00000
    153       3.7019      0.00000
    154       3.7194      0.00000
    155       3.8430      0.00000
    156       3.9012      0.00000
    157       3.9291      0.00000
    158       3.9580      0.00000
    159       4.1424      0.00000
    160       4.1773      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2162      1.00000
      2     -22.0112      1.00000
      3     -21.6491      1.00000
      4     -21.6177      1.00000
      5     -20.9127      1.00000
      6     -20.8717      1.00000
      7     -20.5419      1.00000
      8     -20.5093      1.00000
      9     -20.5023      1.00000
     10     -19.9649      1.00000
     11     -19.4437      1.00000
     12     -19.4212      1.00000
     13     -19.2428      1.00000
     14     -19.2353      1.00000
     15     -18.3787      1.00000
     16     -18.3433      1.00000
     17     -17.8614      1.00000
     18     -17.8449      1.00000
     19     -17.6938      1.00000
     20     -17.6576      1.00000
     21     -17.3748      1.00000
     22     -17.3601      1.00000
     23     -17.2694      1.00000
     24     -16.4156      1.00000
     25     -16.3924      1.00000
     26     -15.9071      1.00000
     27     -15.3459      1.00000
     28     -15.3413      1.00000
     29     -15.0334      1.00000
     30     -15.0240      1.00000
     31     -14.7781      1.00000
     32     -14.7765      1.00000
     33     -14.2400      1.00000
     34     -14.1887      1.00000
     35     -13.3900      1.00000
     36     -13.3349      1.00000
     37     -13.1131      1.00000
     38     -13.1055      1.00000
     39     -12.9206      1.00000
     40     -12.9147      1.00000
     41     -12.5473      1.00000
     42     -12.5400      1.00000
     43     -12.1354      1.00000
     44     -11.5162      1.00000
     45     -11.4719      1.00000
     46     -11.2471      1.00000
     47     -11.2157      1.00000
     48     -11.0881      1.00000
     49     -10.7073      1.00000
     50     -10.5972      1.00000
     51     -10.5108      1.00000
     52     -10.2535      1.00000
     53     -10.2496      1.00000
     54     -10.1233      1.00000
     55     -10.0558      1.00000
     56     -10.0414      1.00000
     57      -9.7866      1.00000
     58      -9.6890      1.00000
     59      -9.6756      1.00000
     60      -9.6398      1.00000
     61      -9.6302      1.00000
     62      -9.5878      1.00000
     63      -9.2976      1.00000
     64      -9.2857      1.00000
     65      -9.2554      1.00000
     66      -9.0665      1.00000
     67      -8.8965      1.00000
     68      -8.8861      1.00000
     69      -8.7204      1.00000
     70      -8.5829      1.00000
     71      -8.5284      1.00000
     72      -8.3525      1.00000
     73      -8.3064      1.00000
     74      -8.2455      1.00000
     75      -8.2400      1.00000
     76      -8.1960      1.00000
     77      -8.1839      1.00000
     78      -8.1715      1.00000
     79      -8.1096      1.00000
     80      -7.6915      1.00000
     81      -7.4156      1.00000
     82      -7.3456      1.00000
     83      -7.2597      1.00000
     84      -7.1703      1.00000
     85      -7.1122      1.00000
     86      -7.0049      1.00000
     87      -6.9057      1.00000
     88      -6.8483      1.00000
     89      -6.5439      1.00000
     90      -6.5001      1.00000
     91      -6.2127      1.00000
     92      -6.2034      1.00000
     93      -5.8961      1.00000
     94      -5.6744      1.00000
     95      -5.6087      1.00000
     96      -5.5818      1.00000
     97      -5.2546      1.00000
     98      -5.2326      1.00000
     99      -5.1661      1.00000
    100      -5.1359      1.00000
    101      -4.5993      1.00000
    102      -4.2507      1.00000
    103      -4.0453      1.00000
    104      -3.8860      1.00000
    105      -3.8416      1.00000
    106      -3.8018      1.00000
    107      -1.8087      0.00000
    108      -1.7821      0.00000
    109      -1.2266      0.00000
    110      -1.1764      0.00000
    111      -0.9750      0.00000
    112      -0.7356      0.00000
    113      -0.6512      0.00000
    114      -0.5950      0.00000
    115      -0.5502      0.00000
    116      -0.1545      0.00000
    117       0.1750      0.00000
    118       0.2875      0.00000
    119       0.7027      0.00000
    120       0.9454      0.00000
    121       1.1679      0.00000
    122       1.2767      0.00000
    123       1.3420      0.00000
    124       1.5073      0.00000
    125       1.6051      0.00000
    126       1.6256      0.00000
    127       1.6904      0.00000
    128       1.7718      0.00000
    129       1.8561      0.00000
    130       2.0748      0.00000
    131       2.1618      0.00000
    132       2.3172      0.00000
    133       2.3892      0.00000
    134       2.4221      0.00000
    135       2.5507      0.00000
    136       2.6212      0.00000
    137       2.6857      0.00000
    138       2.7446      0.00000
    139       2.8111      0.00000
    140       2.9063      0.00000
    141       3.0503      0.00000
    142       3.0586      0.00000
    143       3.1787      0.00000
    144       3.2770      0.00000
    145       3.3753      0.00000
    146       3.4096      0.00000
    147       3.4564      0.00000
    148       3.5454      0.00000
    149       3.5715      0.00000
    150       3.6308      0.00000
    151       3.6596      0.00000
    152       3.7005      0.00000
    153       3.7836      0.00000
    154       3.7964      0.00000
    155       3.8202      0.00000
    156       3.8892      0.00000
    157       3.9029      0.00000
    158       3.9727      0.00000
    159       4.1874      0.00000
    160       4.2254      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     -21.5391      1.00000
      3     -21.4096      1.00000
      4     -21.4083      1.00000
      5     -21.3774      1.00000
      6     -21.3682      1.00000
      7     -21.3612      1.00000
      8     -19.6487      1.00000
      9     -19.5746      1.00000
     10     -19.5673      1.00000
     11     -19.5606      1.00000
     12     -19.5425      1.00000
     13     -19.5400      1.00000
     14     -18.7302      1.00000
     15     -18.6820      1.00000
     16     -18.6740      1.00000
     17     -18.6610      1.00000
     18     -18.6458      1.00000
     19     -18.6437      1.00000
     20     -16.5876      1.00000
     21     -16.5286      1.00000
     22     -16.5263      1.00000
     23     -16.5129      1.00000
     24     -16.4885      1.00000
     25     -16.4871      1.00000
     26     -15.5611      1.00000
     27     -15.5290      1.00000
     28     -15.5279      1.00000
     29     -15.5019      1.00000
     30     -15.4964      1.00000
     31     -15.4911      1.00000
     32     -14.2080      1.00000
     33     -14.1823      1.00000
     34     -14.1699      1.00000
     35     -14.1672      1.00000
     36     -14.1619      1.00000
     37     -14.1506      1.00000
     38     -11.8856      1.00000
     39     -11.8101      1.00000
     40     -11.7939      1.00000
     41     -11.7938      1.00000
     42     -11.7900      1.00000
     43     -11.7844      1.00000
     44     -11.7069      1.00000
     45     -11.7002      1.00000
     46     -11.6747      1.00000
     47     -11.6602      1.00000
     48     -11.6594      1.00000
     49     -11.6530      1.00000
     50     -10.6748      1.00000
     51     -10.3309      1.00000
     52     -10.3231      1.00000
     53     -10.3076      1.00000
     54     -10.3061      1.00000
     55     -10.2933      1.00000
     56     -10.2803      1.00000
     57      -9.9283      1.00000
     58      -9.3746      1.00000
     59      -9.3609      1.00000
     60      -9.3020      1.00000
     61      -9.2937      1.00000
     62      -9.2872      1.00000
     63      -9.0940      1.00000
     64      -9.0567      1.00000
     65      -9.0511      1.00000
     66      -9.0287      1.00000
     67      -9.0091      1.00000
     68      -9.0031      1.00000
     69      -9.0026      1.00000
     70      -8.9971      1.00000
     71      -8.9937      1.00000
     72      -8.9737      1.00000
     73      -8.9658      1.00000
     74      -8.9563      1.00000
     75      -8.4989      1.00000
     76      -7.5124      1.00000
     77      -7.4125      1.00000
     78      -7.4124      1.00000
     79      -7.4012      1.00000
     80      -7.3847      1.00000
     81      -7.3664      1.00000
     82      -7.3424      1.00000
     83      -7.3118      1.00000
     84      -7.2703      1.00000
     85      -7.2078      1.00000
     86      -7.1816      1.00000
     87      -7.1814      1.00000
     88      -7.0740      1.00000
     89      -6.5097      1.00000
     90      -6.4623      1.00000
     91      -6.3561      1.00000
     92      -6.2949      1.00000
     93      -6.2892      1.00000
     94      -6.2882      1.00000
     95      -5.8984      1.00000
     96      -5.8868      1.00000
     97      -5.0469      1.00000
     98      -4.9359      1.00000
     99      -4.5394      1.00000
    100      -4.3420      1.00000
    101      -4.3193      1.00000
    102      -4.3184      1.00000
    103      -4.1165      1.00000
    104      -3.9130      1.00000
    105      -3.9027      1.00000
    106      -3.8330      1.00000
    107      -1.6828      0.00000
    108      -1.6693      0.00000
    109      -1.5377      0.00000
    110      -1.5357      0.00000
    111      -1.5243      0.00000
    112      -1.5101      0.00000
    113      -0.5876      0.00000
    114       0.1329      0.00000
    115       0.2056      0.00000
    116       0.3238      0.00000
    117       0.3256      0.00000
    118       0.3332      0.00000
    119       0.4940      0.00000
    120       0.5923      0.00000
    121       1.2578      0.00000
    122       1.2693      0.00000
    123       1.5199      0.00000
    124       1.7930      0.00000
    125       1.8011      0.00000
    126       1.8041      0.00000
    127       1.8087      0.00000
    128       1.9442      0.00000
    129       1.9763      0.00000
    130       2.0310      0.00000
    131       2.0450      0.00000
    132       2.0502      0.00000
    133       2.0542      0.00000
    134       2.0572      0.00000
    135       2.3015      0.00000
    136       2.3220      0.00000
    137       2.6073      0.00000
    138       2.6140      0.00000
    139       2.6416      0.00000
    140       2.7201      0.00000
    141       2.8591      0.00000
    142       3.0240      0.00000
    143       3.0536      0.00000
    144       3.0846      0.00000
    145       3.0911      0.00000
    146       3.0973      0.00000
    147       3.0986      0.00000
    148       3.2273      0.00000
    149       3.4419      0.00000
    150       3.5364      0.00000
    151       3.7853      0.00000
    152       3.9443      0.00000
    153       3.9465      0.00000
    154       3.9524      0.00000
    155       3.9579      0.00000
    156       3.9956      0.00000
    157       4.1766      0.00000
    158       4.2619      0.00000
    159       4.2849      0.00000
    160       4.2853      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3224      1.00000
      2     -21.7637      1.00000
      3     -21.5732      1.00000
      4     -21.5403      1.00000
      5     -21.2101      1.00000
      6     -21.1653      1.00000
      7     -20.9896      1.00000
      8     -20.1041      1.00000
      9     -20.0599      1.00000
     10     -19.5485      1.00000
     11     -19.5239      1.00000
     12     -19.3515      1.00000
     13     -19.0269      1.00000
     14     -18.9918      1.00000
     15     -18.9836      1.00000
     16     -18.9714      1.00000
     17     -18.2995      1.00000
     18     -18.2803      1.00000
     19     -17.9542      1.00000
     20     -17.0117      1.00000
     21     -16.9616      1.00000
     22     -16.8807      1.00000
     23     -16.8706      1.00000
     24     -16.4068      1.00000
     25     -16.3919      1.00000
     26     -15.5540      1.00000
     27     -15.5381      1.00000
     28     -15.1996      1.00000
     29     -15.1712      1.00000
     30     -15.1169      1.00000
     31     -15.0300      1.00000
     32     -15.0049      1.00000
     33     -14.6382      1.00000
     34     -14.6265      1.00000
     35     -13.6693      1.00000
     36     -13.6539      1.00000
     37     -13.1717      1.00000
     38     -12.5530      1.00000
     39     -12.5195      1.00000
     40     -12.3933      1.00000
     41     -12.3803      1.00000
     42     -12.0590      1.00000
     43     -12.0361      1.00000
     44     -11.6611      1.00000
     45     -11.6191      1.00000
     46     -11.1821      1.00000
     47     -11.1586      1.00000
     48     -10.9669      1.00000
     49     -10.9430      1.00000
     50     -10.8754      1.00000
     51     -10.8393      1.00000
     52     -10.6040      1.00000
     53     -10.0952      1.00000
     54     -10.0908      1.00000
     55     -10.0476      1.00000
     56      -9.9727      1.00000
     57      -9.6559      1.00000
     58      -9.6315      1.00000
     59      -9.5939      1.00000
     60      -9.5313      1.00000
     61      -9.5122      1.00000
     62      -9.4810      1.00000
     63      -9.2661      1.00000
     64      -9.2433      1.00000
     65      -9.2228      1.00000
     66      -9.1680      1.00000
     67      -9.0702      1.00000
     68      -9.0491      1.00000
     69      -9.0427      1.00000
     70      -8.8845      1.00000
     71      -8.8080      1.00000
     72      -8.5787      1.00000
     73      -8.5242      1.00000
     74      -8.4613      1.00000
     75      -8.0369      1.00000
     76      -7.8126      1.00000
     77      -7.8083      1.00000
     78      -7.7943      1.00000
     79      -7.7023      1.00000
     80      -7.6925      1.00000
     81      -7.3620      1.00000
     82      -7.2757      1.00000
     83      -7.2660      1.00000
     84      -7.2163      1.00000
     85      -7.1736      1.00000
     86      -7.0098      1.00000
     87      -6.9488      1.00000
     88      -6.7478      1.00000
     89      -6.6736      1.00000
     90      -6.5954      1.00000
     91      -6.5607      1.00000
     92      -6.0520      1.00000
     93      -6.0483      1.00000
     94      -6.0228      1.00000
     95      -5.9605      1.00000
     96      -5.7378      1.00000
     97      -5.1555      1.00000
     98      -4.9894      1.00000
     99      -4.7197      1.00000
    100      -4.6122      1.00000
    101      -4.4407      1.00000
    102      -4.3742      1.00000
    103      -4.1226      1.00000
    104      -3.8690      1.00000
    105      -3.8331      1.00000
    106      -3.7918      1.00000
    107      -1.7864      0.00000
    108      -1.7397      0.00000
    109      -1.3957      0.00000
    110      -1.3469      0.00000
    111      -1.2658      0.00000
    112      -1.2268      0.00000
    113      -0.7466      0.00000
    114      -0.3806      0.00000
    115      -0.2211      0.00000
    116      -0.0201      0.00000
    117       0.5871      0.00000
    118       0.7351      0.00000
    119       0.7633      0.00000
    120       1.0489      0.00000
    121       1.1406      0.00000
    122       1.2487      0.00000
    123       1.2687      0.00000
    124       1.4115      0.00000
    125       1.4763      0.00000
    126       1.5794      0.00000
    127       1.7544      0.00000
    128       1.8383      0.00000
    129       1.8951      0.00000
    130       1.9572      0.00000
    131       2.1025      0.00000
    132       2.2302      0.00000
    133       2.2464      0.00000
    134       2.2918      0.00000
    135       2.4863      0.00000
    136       2.6092      0.00000
    137       2.6343      0.00000
    138       2.7633      0.00000
    139       2.7954      0.00000
    140       2.8558      0.00000
    141       2.8649      0.00000
    142       2.8912      0.00000
    143       2.9544      0.00000
    144       3.0769      0.00000
    145       3.2790      0.00000
    146       3.2996      0.00000
    147       3.3725      0.00000
    148       3.4046      0.00000
    149       3.4643      0.00000
    150       3.5844      0.00000
    151       3.6339      0.00000
    152       3.6683      0.00000
    153       3.7060      0.00000
    154       3.9027      0.00000
    155       3.9367      0.00000
    156       3.9789      0.00000
    157       4.0792      0.00000
    158       4.1981      0.00000
    159       4.2426      0.00000
    160       4.2940      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2167      1.00000
      2     -22.0104      1.00000
      3     -21.6518      1.00000
      4     -21.6147      1.00000
      5     -20.9154      1.00000
      6     -20.8690      1.00000
      7     -20.5481      1.00000
      8     -20.5088      1.00000
      9     -20.4983      1.00000
     10     -19.9660      1.00000
     11     -19.4447      1.00000
     12     -19.4177      1.00000
     13     -19.2438      1.00000
     14     -19.2295      1.00000
     15     -18.3864      1.00000
     16     -18.3421      1.00000
     17     -17.8622      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     -17.2765      1.00000
     24     -16.4032      1.00000
     25     -16.3884      1.00000
     26     -15.8989      1.00000
     27     -15.3547      1.00000
     28     -15.3394      1.00000
     29     -15.0368      1.00000
     30     -15.0231      1.00000
     31     -14.8014      1.00000
     32     -14.7768      1.00000
     33     -14.2241      1.00000
     34     -14.1918      1.00000
     35     -13.3731      1.00000
     36     -13.3391      1.00000
     37     -13.1218      1.00000
     38     -13.1043      1.00000
     39     -12.9188      1.00000
     40     -12.9054      1.00000
     41     -12.5586      1.00000
     42     -12.5407      1.00000
     43     -12.1352      1.00000
     44     -11.5239      1.00000
     45     -11.4760      1.00000
     46     -11.2556      1.00000
     47     -11.2220      1.00000
     48     -11.0815      1.00000
     49     -10.6604      1.00000
     50     -10.5907      1.00000
     51     -10.5249      1.00000
     52     -10.2600      1.00000
     53     -10.2511      1.00000
     54     -10.1244      1.00000
     55     -10.0506      1.00000
     56     -10.0428      1.00000
     57      -9.7715      1.00000
     58      -9.7075      1.00000
     59      -9.6820      1.00000
     60      -9.6323      1.00000
     61      -9.6287      1.00000
     62      -9.5897      1.00000
     63      -9.2964      1.00000
     64      -9.2873      1.00000
     65      -9.2550      1.00000
     66      -9.0890      1.00000
     67      -8.8993      1.00000
     68      -8.8853      1.00000
     69      -8.7265      1.00000
     70      -8.5906      1.00000
     71      -8.5159      1.00000
     72      -8.3326      1.00000
     73      -8.3042      1.00000
     74      -8.2661      1.00000
     75      -8.2350      1.00000
     76      -8.1968      1.00000
     77      -8.1879      1.00000
     78      -8.1724      1.00000
     79      -8.1027      1.00000
     80      -7.6900      1.00000
     81      -7.3551      1.00000
     82      -7.3117      1.00000
     83      -7.2657      1.00000
     84      -7.1886      1.00000
     85      -7.1258      1.00000
     86      -7.0781      1.00000
     87      -6.9085      1.00000
     88      -6.8838      1.00000
     89      -6.5509      1.00000
     90      -6.4942      1.00000
     91      -6.2112      1.00000
     92      -6.0705      1.00000
     93      -5.9428      1.00000
     94      -5.7158      1.00000
     95      -5.6342      1.00000
     96      -5.4535      1.00000
     97      -5.3060      1.00000
     98      -5.2355      1.00000
     99      -5.1536      1.00000
    100      -5.1528      1.00000
    101      -4.5225      1.00000
    102      -4.4705      1.00000
    103      -4.1425      1.00000
    104      -3.8363      1.00000
    105      -3.7582      1.00000
    106      -3.6811      1.00000
    107      -1.8722      0.00000
    108      -1.8251      0.00000
    109      -1.2785      0.00000
    110      -1.0370      0.00000
    111      -1.0129      0.00000
    112      -0.7137      0.00000
    113      -0.6408      0.00000
    114      -0.5892      0.00000
    115      -0.5469      0.00000
    116      -0.2046      0.00000
    117       0.2513      0.00000
    118       0.2779      0.00000
    119       0.7568      0.00000
    120       0.9421      0.00000
    121       1.1309      0.00000
    122       1.2246      0.00000
    123       1.3182      0.00000
    124       1.4092      0.00000
    125       1.5980      0.00000
    126       1.6326      0.00000
    127       1.6973      0.00000
    128       1.8213      0.00000
    129       1.9140      0.00000
    130       2.0080      0.00000
    131       2.1058      0.00000
    132       2.3251      0.00000
    133       2.3943      0.00000
    134       2.4294      0.00000
    135       2.5356      0.00000
    136       2.6320      0.00000
    137       2.7549      0.00000
    138       2.8169      0.00000
    139       2.8296      0.00000
    140       2.8860      0.00000
    141       3.0414      0.00000
    142       3.0874      0.00000
    143       3.1822      0.00000
    144       3.2346      0.00000
    145       3.3824      0.00000
    146       3.4197      0.00000
    147       3.4793      0.00000
    148       3.5733      0.00000
    149       3.5972      0.00000
    150       3.6256      0.00000
    151       3.6483      0.00000
    152       3.7394      0.00000
    153       3.7680      0.00000
    154       3.7830      0.00000
    155       3.8055      0.00000
    156       3.8906      0.00000
    157       3.9742      0.00000
    158       4.0028      0.00000
    159       4.1730      0.00000
    160       4.2347      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2505      1.00000
      2     -21.8960      1.00000
      3     -21.8258      1.00000
      4     -21.3142      1.00000
      5     -21.2838      1.00000
      6     -20.7727      1.00000
      7     -20.7072      1.00000
      8     -20.5586      1.00000
      9     -20.0112      1.00000
     10     -20.0036      1.00000
     11     -19.6503      1.00000
     12     -19.6258      1.00000
     13     -18.9317      1.00000
     14     -18.9231      1.00000
     15     -18.5728      1.00000
     16     -18.5586      1.00000
     17     -18.3961      1.00000
     18     -17.6169      1.00000
     19     -17.5606      1.00000
     20     -17.5557      1.00000
     21     -17.5144      1.00000
     22     -17.0580      1.00000
     23     -17.0399      1.00000
     24     -16.8931      1.00000
     25     -15.9313      1.00000
     26     -15.8696      1.00000
     27     -15.5185      1.00000
     28     -15.5178      1.00000
     29     -15.2303      1.00000
     30     -14.7967      1.00000
     31     -14.7691      1.00000
     32     -14.5171      1.00000
     33     -14.4732      1.00000
     34     -14.1034      1.00000
     35     -14.0926      1.00000
     36     -13.0780      1.00000
     37     -13.0353      1.00000
     38     -12.9689      1.00000
     39     -12.9565      1.00000
     40     -12.6473      1.00000
     41     -12.6405      1.00000
     42     -12.2761      1.00000
     43     -12.2450      1.00000
     44     -11.5890      1.00000
     45     -11.5621      1.00000
     46     -11.5085      1.00000
     47     -10.9060      1.00000
     48     -10.8530      1.00000
     49     -10.6228      1.00000
     50     -10.5611      1.00000
     51     -10.4862      1.00000
     52     -10.4354      1.00000
     53     -10.4256      1.00000
     54     -10.3727      1.00000
     55     -10.2959      1.00000
     56     -10.0669      1.00000
     57      -9.8352      1.00000
     58      -9.5503      1.00000
     59      -9.4904      1.00000
     60      -9.4720      1.00000
     61      -9.3480      1.00000
     62      -9.3327      1.00000
     63      -9.3124      1.00000
     64      -9.3101      1.00000
     65      -9.2160      1.00000
     66      -9.1134      1.00000
     67      -9.0821      1.00000
     68      -9.0515      1.00000
     69      -8.8495      1.00000
     70      -8.7944      1.00000
     71      -8.7758      1.00000
     72      -8.5289      1.00000
     73      -8.4770      1.00000
     74      -8.2234      1.00000
     75      -8.1117      1.00000
     76      -8.1012      1.00000
     77      -7.8093      1.00000
     78      -7.7852      1.00000
     79      -7.7830      1.00000
     80      -7.6752      1.00000
     81      -7.6335      1.00000
     82      -7.6318      1.00000
     83      -7.4008      1.00000
     84      -7.3261      1.00000
     85      -7.1979      1.00000
     86      -6.8408      1.00000
     87      -6.8308      1.00000
     88      -6.6627      1.00000
     89      -6.5399      1.00000
     90      -6.3460      1.00000
     91      -6.3087      1.00000
     92      -6.1855      1.00000
     93      -6.1487      1.00000
     94      -5.9786      1.00000
     95      -5.5730      1.00000
     96      -5.4273      1.00000
     97      -5.2599      1.00000
     98      -5.2499      1.00000
     99      -5.1505      1.00000
    100      -4.6967      1.00000
    101      -4.6657      1.00000
    102      -4.3495      1.00000
    103      -4.3154      1.00000
    104      -3.9647      1.00000
    105      -3.8294      1.00000
    106      -3.3910      1.00000
    107      -2.2214      0.00000
    108      -1.3778      0.00000
    109      -1.2877      0.00000
    110      -1.1743      0.00000
    111      -1.0790      0.00000
    112      -0.8948      0.00000
    113      -0.7692      0.00000
    114      -0.7581      0.00000
    115      -0.2206      0.00000
    116       0.1125      0.00000
    117       0.2628      0.00000
    118       0.3451      0.00000
    119       0.7308      0.00000
    120       0.9033      0.00000
    121       0.9703      0.00000
    122       1.0919      0.00000
    123       1.2038      0.00000
    124       1.5272      0.00000
    125       1.5600      0.00000
    126       1.7087      0.00000
    127       1.8373      0.00000
    128       1.8612      0.00000
    129       1.9671      0.00000
    130       1.9931      0.00000
    131       2.1571      0.00000
    132       2.2639      0.00000
    133       2.4521      0.00000
    134       2.4646      0.00000
    135       2.5042      0.00000
    136       2.6653      0.00000
    137       2.6845      0.00000
    138       2.7291      0.00000
    139       2.7427      0.00000
    140       2.8882      0.00000
    141       3.0192      0.00000
    142       3.0811      0.00000
    143       3.1954      0.00000
    144       3.2482      0.00000
    145       3.2553      0.00000
    146       3.2645      0.00000
    147       3.3577      0.00000
    148       3.4783      0.00000
    149       3.5250      0.00000
    150       3.6950      0.00000
    151       3.7477      0.00000
    152       3.7695      0.00000
    153       3.8320      0.00000
    154       3.8754      0.00000
    155       3.9396      0.00000
    156       3.9841      0.00000
    157       4.0224      0.00000
    158       4.0455      0.00000
    159       4.0523      0.00000
    160       4.1167      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1444      1.00000
      2     -22.0494      1.00000
      3     -21.8892      1.00000
      4     -21.3371      1.00000
      5     -20.9841      1.00000
      6     -20.9458      1.00000
      7     -20.4356      1.00000
      8     -20.3932      1.00000
      9     -20.2290      1.00000
     10     -20.2076      1.00000
     11     -19.8914      1.00000
     12     -19.8238      1.00000
     13     -18.8171      1.00000
     14     -18.7460      1.00000
     15     -18.2920      1.00000
     16     -18.2389      1.00000
     17     -18.0880      1.00000
     18     -18.0680      1.00000
     19     -17.7635      1.00000
     20     -17.7215      1.00000
     21     -17.1909      1.00000
     22     -17.1719      1.00000
     23     -17.1016      1.00000
     24     -17.0658      1.00000
     25     -16.0404      1.00000
     26     -15.8252      1.00000
     27     -15.8021      1.00000
     28     -15.7664      1.00000
     29     -15.1756      1.00000
     30     -14.4931      1.00000
     31     -14.4606      1.00000
     32     -14.2196      1.00000
     33     -13.8974      1.00000
     34     -13.8922      1.00000
     35     -13.7580      1.00000
     36     -13.7377      1.00000
     37     -13.5535      1.00000
     38     -13.5052      1.00000
     39     -13.3026      1.00000
     40     -12.5668      1.00000
     41     -12.1268      1.00000
     42     -12.0681      1.00000
     43     -12.0122      1.00000
     44     -11.9538      1.00000
     45     -11.6129      1.00000
     46     -11.5901      1.00000
     47     -11.0868      1.00000
     48     -11.0538      1.00000
     49     -10.7546      1.00000
     50     -10.6659      1.00000
     51     -10.5274      1.00000
     52     -10.1509      1.00000
     53     -10.1404      1.00000
     54     -10.0981      1.00000
     55      -9.9552      1.00000
     56      -9.9499      1.00000
     57      -9.9192      1.00000
     58      -9.7394      1.00000
     59      -9.7336      1.00000
     60      -9.7025      1.00000
     61      -9.6924      1.00000
     62      -9.4306      1.00000
     63      -9.3650      1.00000
     64      -9.0874      1.00000
     65      -9.0089      1.00000
     66      -8.9765      1.00000
     67      -8.8896      1.00000
     68      -8.8131      1.00000
     69      -8.6597      1.00000
     70      -8.6371      1.00000
     71      -8.5800      1.00000
     72      -8.4802      1.00000
     73      -8.4693      1.00000
     74      -8.3999      1.00000
     75      -8.3963      1.00000
     76      -8.1856      1.00000
     77      -8.1157      1.00000
     78      -7.9788      1.00000
     79      -7.9168      1.00000
     80      -7.8487      1.00000
     81      -7.6189      1.00000
     82      -7.5320      1.00000
     83      -7.4704      1.00000
     84      -7.2530      1.00000
     85      -6.9361      1.00000
     86      -6.8594      1.00000
     87      -6.8130      1.00000
     88      -6.5751      1.00000
     89      -6.4683      1.00000
     90      -6.4221      1.00000
     91      -6.3582      1.00000
     92      -6.0527      1.00000
     93      -5.8785      1.00000
     94      -5.7542      1.00000
     95      -5.7232      1.00000
     96      -5.4777      1.00000
     97      -5.3468      1.00000
     98      -5.1816      1.00000
     99      -5.1576      1.00000
    100      -5.1558      1.00000
    101      -4.7082      1.00000
    102      -4.4408      1.00000
    103      -4.2557      1.00000
    104      -3.9960      1.00000
    105      -3.8282      1.00000
    106      -3.1575      1.00000
    107      -2.4643      0.00000
    108      -1.3801      0.00000
    109      -1.2422      0.00000
    110      -1.1472      0.00000
    111      -1.1156      0.00000
    112      -0.5652      0.00000
    113      -0.4355      0.00000
    114      -0.4310      0.00000
    115      -0.3110      0.00000
    116      -0.1913      0.00000
    117       0.0611      0.00000
    118       0.1156      0.00000
    119       0.5392      0.00000
    120       0.6829      0.00000
    121       0.8683      0.00000
    122       0.9641      0.00000
    123       1.1074      0.00000
    124       1.4918      0.00000
    125       1.6582      0.00000
    126       1.7980      0.00000
    127       1.8702      0.00000
    128       2.0888      0.00000
    129       2.1395      0.00000
    130       2.1929      0.00000
    131       2.2127      0.00000
    132       2.3392      0.00000
    133       2.3598      0.00000
    134       2.4846      0.00000
    135       2.5758      0.00000
    136       2.6652      0.00000
    137       2.8773      0.00000
    138       2.9367      0.00000
    139       2.9633      0.00000
    140       2.9934      0.00000
    141       3.0382      0.00000
    142       3.1478      0.00000
    143       3.1800      0.00000
    144       3.2430      0.00000
    145       3.2874      0.00000
    146       3.3308      0.00000
    147       3.3480      0.00000
    148       3.3778      0.00000
    149       3.4056      0.00000
    150       3.4932      0.00000
    151       3.5455      0.00000
    152       3.6283      0.00000
    153       3.6923      0.00000
    154       3.7062      0.00000
    155       3.7204      0.00000
    156       3.9179      0.00000
    157       3.9342      0.00000
    158       4.0527      0.00000
    159       4.0840      0.00000
    160       4.1963      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2503      1.00000
      2     -21.8977      1.00000
      3     -21.8241      1.00000
      4     -21.3187      1.00000
      5     -21.2800      1.00000
      6     -20.7739      1.00000
      7     -20.7050      1.00000
      8     -20.5570      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     -18.5861      1.00000
     16     -18.5491      1.00000
     17     -18.3943      1.00000
     18     -17.6040      1.00000
     19     -17.5727      1.00000
     20     -17.5433      1.00000
     21     -17.5105      1.00000
     22     -17.0763      1.00000
     23     -17.0298      1.00000
     24     -16.9021      1.00000
     25     -15.9474      1.00000
     26     -15.8536      1.00000
     27     -15.5353      1.00000
     28     -15.5088      1.00000
     29     -15.2113      1.00000
     30     -14.8158      1.00000
     31     -14.7636      1.00000
     32     -14.5114      1.00000
     33     -14.4696      1.00000
     34     -14.0983      1.00000
     35     -14.0952      1.00000
     36     -13.1067      1.00000
     37     -13.0318      1.00000
     38     -12.9584      1.00000
     39     -12.9514      1.00000
     40     -12.6575      1.00000
     41     -12.6293      1.00000
     42     -12.2765      1.00000
     43     -12.2494      1.00000
     44     -11.5749      1.00000
     45     -11.5554      1.00000
     46     -11.5028      1.00000
     47     -10.8800      1.00000
     48     -10.8709      1.00000
     49     -10.6831      1.00000
     50     -10.5269      1.00000
     51     -10.5218      1.00000
     52     -10.4356      1.00000
     53     -10.4180      1.00000
     54     -10.3718      1.00000
     55     -10.2898      1.00000
     56     -10.0625      1.00000
     57      -9.8338      1.00000
     58      -9.5606      1.00000
     59      -9.4863      1.00000
     60      -9.4460      1.00000
     61      -9.3578      1.00000
     62      -9.3410      1.00000
     63      -9.3096      1.00000
     64      -9.3042      1.00000
     65      -9.2077      1.00000
     66      -9.1012      1.00000
     67      -9.0702      1.00000
     68      -9.0511      1.00000
     69      -8.8525      1.00000
     70      -8.7988      1.00000
     71      -8.7796      1.00000
     72      -8.5286      1.00000
     73      -8.4983      1.00000
     74      -8.2284      1.00000
     75      -8.1314      1.00000
     76      -8.0946      1.00000
     77      -7.8078      1.00000
     78      -7.7691      1.00000
     79      -7.7411      1.00000
     80      -7.7047      1.00000
     81      -7.6369      1.00000
     82      -7.6262      1.00000
     83      -7.3883      1.00000
     84      -7.3451      1.00000
     85      -7.2177      1.00000
     86      -6.8452      1.00000
     87      -6.8221      1.00000
     88      -6.6408      1.00000
     89      -6.5305      1.00000
     90      -6.3428      1.00000
     91      -6.2739      1.00000
     92      -6.1968      1.00000
     93      -6.1336      1.00000
     94      -6.0222      1.00000
     95      -5.6373      1.00000
     96      -5.5095      1.00000
     97      -5.2990      1.00000
     98      -5.1572      1.00000
     99      -5.0407      1.00000
    100      -4.7269      1.00000
    101      -4.6864      1.00000
    102      -4.3685      1.00000
    103      -4.1857      1.00000
    104      -4.0090      1.00000
    105      -3.8277      1.00000
    106      -3.4854      1.00000
    107      -2.1656      0.00000
    108      -1.3845      0.00000
    109      -1.2368      0.00000
    110      -1.1860      0.00000
    111      -1.0151      0.00000
    112      -0.9567      0.00000
    113      -0.7984      0.00000
    114      -0.7532      0.00000
    115      -0.3675      0.00000
    116       0.2442      0.00000
    117       0.2757      0.00000
    118       0.3633      0.00000
    119       0.6968      0.00000
    120       0.8675      0.00000
    121       0.9648      0.00000
    122       1.1232      0.00000
    123       1.2325      0.00000
    124       1.4521      0.00000
    125       1.5516      0.00000
    126       1.7792      0.00000
    127       1.8494      0.00000
    128       1.8814      0.00000
    129       1.9820      0.00000
    130       2.0273      0.00000
    131       2.1949      0.00000
    132       2.2070      0.00000
    133       2.3990      0.00000
    134       2.4534      0.00000
    135       2.5485      0.00000
    136       2.6570      0.00000
    137       2.6838      0.00000
    138       2.7259      0.00000
    139       2.7666      0.00000
    140       2.8491      0.00000
    141       2.9626      0.00000
    142       3.0789      0.00000
    143       3.1890      0.00000
    144       3.2367      0.00000
    145       3.2519      0.00000
    146       3.2918      0.00000
    147       3.3310      0.00000
    148       3.4774      0.00000
    149       3.5056      0.00000
    150       3.7069      0.00000
    151       3.7192      0.00000
    152       3.7692      0.00000
    153       3.8571      0.00000
    154       3.8705      0.00000
    155       3.8978      0.00000
    156       3.9956      0.00000
    157       3.9995      0.00000
    158       4.0500      0.00000
    159       4.0608      0.00000
    160       4.0858      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     -21.5704      1.00000
      4     -21.5430      1.00000
      5     -21.2077      1.00000
      6     -21.1685      1.00000
      7     -20.9882      1.00000
      8     -20.1012      1.00000
      9     -20.0621      1.00000
     10     -19.5489      1.00000
     11     -19.5284      1.00000
     12     -19.3471      1.00000
     13     -19.0306      1.00000
     14     -18.9904      1.00000
     15     -18.9800      1.00000
     16     -18.9739      1.00000
     17     -18.2984      1.00000
     18     -18.2845      1.00000
     19     -17.9484      1.00000
     20     -17.0026      1.00000
     21     -16.9615      1.00000
     22     -16.8847      1.00000
     23     -16.8715      1.00000
     24     -16.4180      1.00000
     25     -16.3955      1.00000
     26     -15.5432      1.00000
     27     -15.5399      1.00000
     28     -15.1748      1.00000
     29     -15.1737      1.00000
     30     -15.1330      1.00000
     31     -15.0388      1.00000
     32     -15.0026      1.00000
     33     -14.6355      1.00000
     34     -14.6289      1.00000
     35     -13.6647      1.00000
     36     -13.6552      1.00000
     37     -13.1728      1.00000
     38     -12.5751      1.00000
     39     -12.5146      1.00000
     40     -12.3878      1.00000
     41     -12.3875      1.00000
     42     -12.0370      1.00000
     43     -12.0334      1.00000
     44     -11.6573      1.00000
     45     -11.6171      1.00000
     46     -11.2083      1.00000
     47     -11.1586      1.00000
     48     -10.9573      1.00000
     49     -10.9441      1.00000
     50     -10.8627      1.00000
     51     -10.8306      1.00000
     52     -10.6262      1.00000
     53     -10.1481      1.00000
     54     -10.0864      1.00000
     55     -10.0268      1.00000
     56      -9.9476      1.00000
     57      -9.6334      1.00000
     58      -9.6312      1.00000
     59      -9.6048      1.00000
     60      -9.5421      1.00000
     61      -9.5055      1.00000
     62      -9.4809      1.00000
     63      -9.2744      1.00000
     64      -9.2372      1.00000
     65      -9.2091      1.00000
     66      -9.1817      1.00000
     67      -9.0642      1.00000
     68      -9.0488      1.00000
     69      -9.0453      1.00000
     70      -8.8787      1.00000
     71      -8.8109      1.00000
     72      -8.5374      1.00000
     73      -8.5344      1.00000
     74      -8.5019      1.00000
     75      -8.0325      1.00000
     76      -7.8334      1.00000
     77      -7.8018      1.00000
     78      -7.7759      1.00000
     79      -7.7054      1.00000
     80      -7.6857      1.00000
     81      -7.4115      1.00000
     82      -7.2898      1.00000
     83      -7.2529      1.00000
     84      -7.2046      1.00000
     85      -7.0831      1.00000
     86      -7.0749      1.00000
     87      -6.9399      1.00000
     88      -6.7129      1.00000
     89      -6.6757      1.00000
     90      -6.6304      1.00000
     91      -6.5585      1.00000
     92      -6.0728      1.00000
     93      -6.0330      1.00000
     94      -6.0024      1.00000
     95      -5.9394      1.00000
     96      -5.8011      1.00000
     97      -5.1810      1.00000
     98      -4.8945      1.00000
     99      -4.7947      1.00000
    100      -4.6121      1.00000
    101      -4.5131      1.00000
    102      -4.1408      1.00000
    103      -4.0926      1.00000
    104      -3.9320      1.00000
    105      -3.9170      1.00000
    106      -3.8270      1.00000
    107      -1.7528      0.00000
    108      -1.6974      0.00000
    109      -1.4114      0.00000
    110      -1.3725      0.00000
    111      -1.2657      0.00000
    112      -1.2364      0.00000
    113      -0.6257      0.00000
    114      -0.5993      0.00000
    115      -0.1909      0.00000
    116       0.0407      0.00000
    117       0.5809      0.00000
    118       0.7397      0.00000
    119       0.8485      0.00000
    120       0.9262      0.00000
    121       1.1671      0.00000
    122       1.2093      0.00000
    123       1.2445      0.00000
    124       1.4161      0.00000
    125       1.5960      0.00000
    126       1.6330      0.00000
    127       1.7014      0.00000
    128       1.8031      0.00000
    129       1.9215      0.00000
    130       1.9390      0.00000
    131       2.1431      0.00000
    132       2.1698      0.00000
    133       2.2586      0.00000
    134       2.2973      0.00000
    135       2.5384      0.00000
    136       2.5543      0.00000
    137       2.6344      0.00000
    138       2.7582      0.00000
    139       2.8070      0.00000
    140       2.8447      0.00000
    141       2.8929      0.00000
    142       2.9391      0.00000
    143       3.0103      0.00000
    144       3.0246      0.00000
    145       3.0827      0.00000
    146       3.3049      0.00000
    147       3.3675      0.00000
    148       3.4163      0.00000
    149       3.4758      0.00000
    150       3.6032      0.00000
    151       3.6556      0.00000
    152       3.6635      0.00000
    153       3.6772      0.00000
    154       3.8876      0.00000
    155       3.9740      0.00000
    156       4.0205      0.00000
    157       4.0698      0.00000
    158       4.2338      0.00000
    159       4.2550      0.00000
    160       4.2611      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1434      1.00000
      2     -22.0510      1.00000
      3     -21.8886      1.00000
      4     -21.3380      1.00000
      5     -20.9793      1.00000
      6     -20.9498      1.00000
      7     -20.4305      1.00000
      8     -20.3985      1.00000
      9     -20.2186      1.00000
     10     -20.2165      1.00000
     11     -19.8901      1.00000
     12     -19.8267      1.00000
     13     -18.8199      1.00000
     14     -18.7495      1.00000
     15     -18.2682      1.00000
     16     -18.2538      1.00000
     17     -18.0826      1.00000
     18     -18.0758      1.00000
     19     -17.7483      1.00000
     20     -17.7322      1.00000
     21     -17.1970      1.00000
     22     -17.1736      1.00000
     23     -17.0907      1.00000
     24     -17.0704      1.00000
     25     -16.0564      1.00000
     26     -15.8110      1.00000
     27     -15.8014      1.00000
     28     -15.7797      1.00000
     29     -15.1611      1.00000
     30     -14.4879      1.00000
     31     -14.4665      1.00000
     32     -14.2061      1.00000
     33     -13.9184      1.00000
     34     -13.8888      1.00000
     35     -13.7606      1.00000
     36     -13.7408      1.00000
     37     -13.5385      1.00000
     38     -13.5123      1.00000
     39     -13.3041      1.00000
     40     -12.5791      1.00000
     41     -12.1034      1.00000
     42     -12.0789      1.00000
     43     -12.0010      1.00000
     44     -11.9535      1.00000
     45     -11.6074      1.00000
     46     -11.5996      1.00000
     47     -11.0865      1.00000
     48     -11.0631      1.00000
     49     -10.7343      1.00000
     50     -10.6670      1.00000
     51     -10.5599      1.00000
     52     -10.1417      1.00000
     53     -10.1372      1.00000
     54     -10.1029      1.00000
     55      -9.9680      1.00000
     56      -9.9275      1.00000
     57      -9.9234      1.00000
     58      -9.7529      1.00000
     59      -9.7311      1.00000
     60      -9.6991      1.00000
     61      -9.6965      1.00000
     62      -9.4026      1.00000
     63      -9.3915      1.00000
     64      -9.0706      1.00000
     65      -8.9838      1.00000
     66      -8.9836      1.00000
     67      -8.9075      1.00000
     68      -8.8141      1.00000
     69      -8.6515      1.00000
     70      -8.6356      1.00000
     71      -8.5497      1.00000
     72      -8.5039      1.00000
     73      -8.4850      1.00000
     74      -8.3961      1.00000
     75      -8.3845      1.00000
     76      -8.2113      1.00000
     77      -8.1035      1.00000
     78      -8.0086      1.00000
     79      -7.9035      1.00000
     80      -7.8451      1.00000
     81      -7.6225      1.00000
     82      -7.5353      1.00000
     83      -7.4584      1.00000
     84      -7.2501      1.00000
     85      -6.9440      1.00000
     86      -6.8707      1.00000
     87      -6.8114      1.00000
     88      -6.4789      1.00000
     89      -6.4705      1.00000
     90      -6.4112      1.00000
     91      -6.3616      1.00000
     92      -6.1904      1.00000
     93      -5.8593      1.00000
     94      -5.7390      1.00000
     95      -5.7126      1.00000
     96      -5.5244      1.00000
     97      -5.3300      1.00000
     98      -5.1736      1.00000
     99      -5.1687      1.00000
    100      -5.1353      1.00000
    101      -4.6966      1.00000
    102      -4.3490      1.00000
    103      -4.2807      1.00000
    104      -4.0288      1.00000
    105      -3.8292      1.00000
    106      -3.2344      1.00000
    107      -2.4064      0.00000
    108      -1.3466      0.00000
    109      -1.2447      0.00000
    110      -1.1545      0.00000
    111      -1.1094      0.00000
    112      -0.5844      0.00000
    113      -0.5226      0.00000
    114      -0.4349      0.00000
    115      -0.2757      0.00000
    116      -0.0717      0.00000
    117      -0.0121      0.00000
    118       0.0589      0.00000
    119       0.5824      0.00000
    120       0.7097      0.00000
    121       0.8070      0.00000
    122       0.9396      0.00000
    123       1.1791      0.00000
    124       1.5047      0.00000
    125       1.6168      0.00000
    126       1.8533      0.00000
    127       2.0011      0.00000
    128       2.0478      0.00000
    129       2.1083      0.00000
    130       2.1495      0.00000
    131       2.2625      0.00000
    132       2.2843      0.00000
    133       2.3478      0.00000
    134       2.4581      0.00000
    135       2.6069      0.00000
    136       2.6975      0.00000
    137       2.8152      0.00000
    138       2.9143      0.00000
    139       2.9413      0.00000
    140       3.0132      0.00000
    141       3.0464      0.00000
    142       3.1540      0.00000
    143       3.1619      0.00000
    144       3.2238      0.00000
    145       3.2971      0.00000
    146       3.3077      0.00000
    147       3.3514      0.00000
    148       3.3709      0.00000
    149       3.4133      0.00000
    150       3.4392      0.00000
    151       3.5563      0.00000
    152       3.6081      0.00000
    153       3.7019      0.00000
    154       3.7194      0.00000
    155       3.8430      0.00000
    156       3.9012      0.00000
    157       3.9291      0.00000
    158       3.9580      0.00000
    159       4.1424      0.00000
    160       4.1773      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2162      1.00000
      2     -22.0112      1.00000
      3     -21.6491      1.00000
      4     -21.6177      1.00000
      5     -20.9127      1.00000
      6     -20.8717      1.00000
      7     -20.5419      1.00000
      8     -20.5093      1.00000
      9     -20.5023      1.00000
     10     -19.9649      1.00000
     11     -19.4437      1.00000
     12     -19.4212      1.00000
     13     -19.2428      1.00000
     14     -19.2353      1.00000
     15     -18.3787      1.00000
     16     -18.3433      1.00000
     17     -17.8614      1.00000
     18     -17.8449      1.00000
     19     -17.6938      1.00000
     20     -17.6576      1.00000
     21     -17.3748      1.00000
     22     -17.3601      1.00000
     23     -17.2694      1.00000
     24     -16.4156      1.00000
     25     -16.3924      1.00000
     26     -15.9071      1.00000
     27     -15.3459      1.00000
     28     -15.3413      1.00000
     29     -15.0334      1.00000
     30     -15.0240      1.00000
     31     -14.7781      1.00000
     32     -14.7765      1.00000
     33     -14.2400      1.00000
     34     -14.1887      1.00000
     35     -13.3900      1.00000
     36     -13.3349      1.00000
     37     -13.1131      1.00000
     38     -13.1055      1.00000
     39     -12.9206      1.00000
     40     -12.9147      1.00000
     41     -12.5473      1.00000
     42     -12.5400      1.00000
     43     -12.1354      1.00000
     44     -11.5162      1.00000
     45     -11.4719      1.00000
     46     -11.2471      1.00000
     47     -11.2157      1.00000
     48     -11.0881      1.00000
     49     -10.7073      1.00000
     50     -10.5972      1.00000
     51     -10.5108      1.00000
     52     -10.2535      1.00000
     53     -10.2496      1.00000
     54     -10.1233      1.00000
     55     -10.0558      1.00000
     56     -10.0414      1.00000
     57      -9.7866      1.00000
     58      -9.6890      1.00000
     59      -9.6756      1.00000
     60      -9.6398      1.00000
     61      -9.6302      1.00000
     62      -9.5878      1.00000
     63      -9.2976      1.00000
     64      -9.2857      1.00000
     65      -9.2554      1.00000
     66      -9.0665      1.00000
     67      -8.8965      1.00000
     68      -8.8861      1.00000
     69      -8.7204      1.00000
     70      -8.5829      1.00000
     71      -8.5284      1.00000
     72      -8.3525      1.00000
     73      -8.3064      1.00000
     74      -8.2455      1.00000
     75      -8.2400      1.00000
     76      -8.1960      1.00000
     77      -8.1839      1.00000
     78      -8.1715      1.00000
     79      -8.1096      1.00000
     80      -7.6915      1.00000
     81      -7.4156      1.00000
     82      -7.3456      1.00000
     83      -7.2597      1.00000
     84      -7.1703      1.00000
     85      -7.1122      1.00000
     86      -7.0049      1.00000
     87      -6.9057      1.00000
     88      -6.8483      1.00000
     89      -6.5439      1.00000
     90      -6.5001      1.00000
     91      -6.2127      1.00000
     92      -6.2034      1.00000
     93      -5.8961      1.00000
     94      -5.6744      1.00000
     95      -5.6087      1.00000
     96      -5.5818      1.00000
     97      -5.2546      1.00000
     98      -5.2326      1.00000
     99      -5.1661      1.00000
    100      -5.1359      1.00000
    101      -4.5993      1.00000
    102      -4.2507      1.00000
    103      -4.0453      1.00000
    104      -3.8860      1.00000
    105      -3.8416      1.00000
    106      -3.8018      1.00000
    107      -1.8087      0.00000
    108      -1.7821      0.00000
    109      -1.2266      0.00000
    110      -1.1764      0.00000
    111      -0.9750      0.00000
    112      -0.7356      0.00000
    113      -0.6512      0.00000
    114      -0.5950      0.00000
    115      -0.5502      0.00000
    116      -0.1545      0.00000
    117       0.1750      0.00000
    118       0.2875      0.00000
    119       0.7027      0.00000
    120       0.9454      0.00000
    121       1.1679      0.00000
    122       1.2767      0.00000
    123       1.3420      0.00000
    124       1.5073      0.00000
    125       1.6051      0.00000
    126       1.6256      0.00000
    127       1.6904      0.00000
    128       1.7718      0.00000
    129       1.8561      0.00000
    130       2.0748      0.00000
    131       2.1618      0.00000
    132       2.3172      0.00000
    133       2.3892      0.00000
    134       2.4221      0.00000
    135       2.5507      0.00000
    136       2.6212      0.00000
    137       2.6857      0.00000
    138       2.7446      0.00000
    139       2.8112      0.00000
    140       2.9063      0.00000
    141       3.0503      0.00000
    142       3.0586      0.00000
    143       3.1787      0.00000
    144       3.2770      0.00000
    145       3.3753      0.00000
    146       3.4096      0.00000
    147       3.4564      0.00000
    148       3.5454      0.00000
    149       3.5715      0.00000
    150       3.6308      0.00000
    151       3.6596      0.00000
    152       3.7005      0.00000
    153       3.7836      0.00000
    154       3.7964      0.00000
    155       3.8202      0.00000
    156       3.8892      0.00000
    157       3.9029      0.00000
    158       3.9727      0.00000
    159       4.1874      0.00000
    160       4.2254      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0393   -7.2578    3.9830   -1.1321   -0.1851   17.3739    0.4894   -0.8146    0.7709   -0.4769
x    -3.1258   -0.0253   -0.0210   -0.0258    0.0906   -3.0536    0.0303   -0.0243    0.0084    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   204.0393    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   -0.0985   -0.0314    0.0619    0.0181
y     0.0231   -3.2431   -0.1789    0.1697   -2.4108   -0.6651
z   204.0393    1.7420    0.2936    0.0880    0.0006    0.0706   -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    0.0988    0.0006   -0.0010   -0.0001   -0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0012   -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  -16.6074
z     0.1432    0.2354   -0.0293    0.0576   -0.0951    0.0006
 total charge-density along one line
x   212.0000  -10.0889    5.9299   -1.9411   -0.4208   19.2938   -0.6602    0.2076    0.0662   -0.1066
x    -2.7055   -0.0091    0.0013   -0.0446    0.0963   -2.3450    0.0477   -0.0343    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  -10.0889    5.9299   -1.9411   -0.4208   19.2938   -0.6602    0.2076    0.0662   -0.1066
y    -2.7055   -0.0091    0.0013   -0.0446    0.0963   -2.3450    0.0477   -0.0343    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 -205.3324  188.9334 -170.2025  154.0291 -140.2547  126.3084 -110.8387   94.5998  -78.9666
z    64.6302  -51.7161   40.4790  -31.3985   24.6415  -19.7068   15.7353  -12.1341    8.8641   -6.1908
z     4.2590   -2.9282    1.9388   -1.1400    0.5339   -0.1503   -0.0628    0.2137   -0.3675    0.5013
z    -0.5565    0.5186   -0.4353    0.3671   -0.3345    0.3159   -0.2843    0.2368   -0.1901    0.1568
z    -0.1349    0.1146   -0.0921    0.0715   -0.0577    0.0500   -0.0441    0.0370   -0.0295    0.0239
z    -0.0208    0.0186   -0.0160    0.0129   -0.0103    0.0084   -0.0068    0.0053   -0.0039    0.0028
z    -0.0020    0.0012   -0.0004   -0.0002    0.0004   -0.0004    0.0004   -0.0006    0.0007   -0.0007
z     0.0004   -0.0002    0.0001    0.0000    0.0000    0.0001   -0.0002    0.0003   -0.0003    0.0003
z    -0.0002    0.0002   -0.0002    0.0002   -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0000   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.940   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 -11.244   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  -0.023   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
-10.940   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 -11.244   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  -0.023   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   0.021   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   0.593   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   0.044   0.000   0.354   0.000  -0.027  -0.233  -0.044   0.000   0.096   0.000   0.000
  0.000  -0.147   0.000   1.756   0.000   0.000   0.259   0.000   0.293   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   0.115   0.000   0.000
  0.000   0.593   0.000   0.259   0.000   0.000   0.327   0.000   0.106   0.000   0.000   0.000   0.057   0.000   0.065  -0.011
  0.057   0.000   0.354   0.000  -0.035   0.101   0.000   0.561   0.000  -0.057   0.700  -0.292   0.000   0.088   0.000   0.000
  0.000   0.259   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   0.030   0.000  -0.068   0.000   0.000
 -0.026   0.000  -0.233   0.000   0.010   0.191   0.000   0.700   0.000  -0.109   1.350  -0.432   0.000   0.266   0.000   0.000
  0.025   0.000  -0.044   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   0.115   0.000   0.088   0.000  -0.068   0.266  -0.034   0.000   0.308   0.000   0.000
  0.000   0.106   0.000   0.038   0.000   0.000   0.065   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   1.781   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   1.783   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   1.783   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   2.647
 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  89.442   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  113.28: CPU time   57.21
    FORLOC:  VPU time    1.25: CPU time    1.25
    FORNL :  VPU time  440.02: CPU time  220.89
    STRESS:  VPU time 1347.80: CPU time  678.65
    FORCOR:  VPU time    8.65: CPU time    8.65
    FORHAR:  VPU time    2.29: CPU time    2.29
    MIXING:  VPU time    0.16: CPU time    0.16
 d Force = 0.4352239E-04[ 0.195E-04, 0.676E-04]  d Energy = 0.5750441E-04-0.140E-04
 d Force = 0.1813061E+01[ 0.181E+01, 0.181E+01]  d Ewald  =-0.2767470E+01 0.458E+01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.645084 eV

  energy  without entropy=     -471.645084  energy(sigma->0) =     -471.645084
 

  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    40733.44  40749.45 -47433.53     13.87      0.00      0.00
  Hartree  40199.42  40202.58 -39452.35      2.74      0.00      0.00
  E(xc)     -779.75   -779.56   -807.27      0.17      0.00      0.00
  Local   -83226.04 -83239.07  84203.31    -11.28      0.00      0.00
  n-local   -215.85   -215.74   -203.93     -0.16      0.00      0.00
  augment     22.10     20.53     17.37     -1.35      0.00      0.00
  Kinetic   3168.92   3171.58   3582.34     -6.17      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.06     -0.07     -0.12     -0.01      0.00      0.00
  in kB       -0.04     -0.04     -0.07     -0.01      0.00      0.00
  external pressure =       -0.05 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
    12.346822724  0.001691961  0.000000000     0.080986091  0.046742614  0.000000000
    -6.171952724 10.693503939  0.000000000    -0.000012814  0.093507322  0.000000000
     0.000000000  0.000000000 19.979074798     0.000000000  0.000000000  0.050052368

  length of vectors
    12.346822840 12.346822543 19.979074798     0.093507320  0.093507323  0.050052368


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.427E-05 -.457E-04 -.960E+03   0.432E-05 -.274E-04 0.968E+03   -.846E-21 0.142E-23 -.788E+01   -.136E-06 0.630E-07 0.444E-01
   -.175E+02 -.304E+02 -.136E+03   0.184E+02 0.318E+02 0.138E+03   -.827E+00 -.143E+01 -.258E+01   -.102E-02 -.177E-02 -.161E-02
   0.175E+02 0.304E+02 -.136E+03   -.184E+02 -.318E+02 0.138E+03   0.827E+00 0.143E+01 -.258E+01   0.102E-02 0.177E-02 -.161E-02
   -.195E+01 0.113E+01 0.179E+02   0.196E+01 -.113E+01 -.179E+02   -.954E-02 0.551E-02 -.437E-02   -.744E-03 0.427E-03 0.362E-02
   0.578E+01 0.685E+01 0.205E+02   -.579E+01 -.688E+01 -.205E+02   0.672E-02 0.342E-01 -.158E-01   0.717E-03 -.147E-02 0.489E-02
   0.112E+02 0.507E+01 0.186E+02   -.112E+02 -.508E+01 -.185E+02   0.273E-01 0.626E-02 -.543E-01   -.310E-03 -.942E-03 -.240E-03
   0.453E+01 -.100E+01 0.163E+02   -.455E+01 0.102E+01 -.163E+02   0.195E-01 -.185E-01 -.308E-02   -.128E-02 0.417E-04 0.106E-02
   -.288E+01 -.240E+01 0.154E+02   0.290E+01 0.242E+01 -.154E+02   -.155E-01 -.164E-01 0.190E-02   -.156E-02 0.774E-04 -.113E-02
   0.638E+00 0.370E+01 0.154E+02   -.643E+00 -.372E+01 -.154E+02   0.647E-02 0.216E-01 0.190E-02   -.855E-03 0.131E-02 -.113E-02
   0.273E+01 0.182E+02 0.249E+02   -.274E+01 -.183E+02 -.249E+02   0.966E-02 0.109E+00 -.623E-02   -.537E-03 0.269E-03 0.163E-03
   0.214E+02 0.226E+02 0.394E+02   -.215E+02 -.228E+02 -.394E+02   0.119E+00 0.230E+00 -.198E-01   -.952E-03 -.338E-02 -.326E-02
   0.265E+02 -.448E+01 0.264E+02   -.267E+02 0.460E+01 -.264E+02   0.235E+00 -.119E+00 -.574E-01   -.138E-02 -.176E-02 -.276E-03
   0.917E+01 -.530E+01 0.155E+02   -.919E+01 0.531E+01 -.155E+02   0.164E-01 -.947E-02 0.437E-02   -.137E-03 0.729E-04 0.472E-03
   0.313E+01 -.342E+01 0.163E+02   -.316E+01 0.343E+01 -.163E+02   0.258E-01 -.758E-02 -.308E-02   -.679E-03 0.109E-02 0.105E-02
   -.604E+01 0.131E+02 0.199E+02   0.605E+01 -.132E+02 -.199E+02   -.467E-02 0.743E-01 -.887E-02   -.119E-02 0.667E-03 0.514E-03
   -.122E+02 0.335E+02 0.453E+02   0.123E+02 -.341E+02 -.456E+02   -.898E-01 0.678E+00 0.344E+00   0.111E-02 -.379E-02 0.756E-04
   0.264E+02 -.152E+02 0.689E+02   -.274E+02 0.158E+02 -.710E+02   0.970E+00 -.560E+00 0.210E+01   -.847E-04 0.462E-04 0.400E-02
   0.171E+02 -.207E+02 0.264E+02   -.173E+02 0.208E+02 -.264E+02   0.221E+00 -.144E+00 -.574E-01   0.833E-03 0.207E-02 -.281E-03
   0.122E+01 -.123E+02 0.186E+02   -.122E+01 0.123E+02 -.185E+02   0.823E-02 -.268E-01 -.543E-01   0.664E-03 0.739E-03 -.246E-03
   -.386E+01 0.154E+01 0.145E+02   0.387E+01 -.154E+01 -.145E+02   -.734E-02 0.406E-02 -.393E-01   -.699E-04 -.755E-03 0.553E-03
   -.182E+02 0.105E+02 0.205E+02   0.182E+02 -.105E+02 -.204E+02   -.670E-01 0.387E-01 -.129E+00   0.880E-03 -.505E-03 -.441E-03
   -.351E+02 -.613E+01 0.453E+02   0.357E+02 0.639E+01 -.456E+02   -.632E+00 -.261E+00 0.344E+00   0.384E-02 0.930E-03 0.788E-04
   -.885E+01 -.298E+02 0.394E+02   0.899E+01 0.300E+02 -.394E+02   -.139E+00 -.218E+00 -.198E-01   0.246E-02 0.251E-02 -.326E-02
   -.305E+01 -.843E+01 0.205E+02   0.307E+01 0.845E+01 -.205E+02   -.263E-01 -.229E-01 -.158E-01   0.163E-02 0.113E-03 0.489E-02
   0.126E+01 -.725E+00 0.153E+02   -.126E+01 0.725E+00 -.152E+02   -.232E-02 0.134E-02 -.325E-01   0.931E-03 -.536E-03 -.136E-02
   -.327E+01 0.257E+01 0.145E+02   0.327E+01 -.258E+01 -.145E+02   -.719E-02 0.432E-02 -.393E-01   0.621E-03 0.443E-03 0.558E-03
   -.144E+02 -.134E+01 0.199E+02   0.145E+02 0.137E+01 -.199E+02   -.666E-01 -.331E-01 -.887E-02   -.117E-02 0.696E-03 0.522E-03
   -.144E+02 -.115E+02 0.249E+02   0.145E+02 0.115E+02 -.249E+02   -.892E-01 -.627E-01 -.623E-02   -.500E-03 0.325E-03 0.166E-03
   0.305E+01 0.843E+01 0.205E+02   -.307E+01 -.845E+01 -.205E+02   0.263E-01 0.229E-01 -.158E-01   -.163E-02 -.113E-03 0.489E-02
   0.144E+02 0.115E+02 0.249E+02   -.145E+02 -.115E+02 -.249E+02   0.892E-01 0.627E-01 -.623E-02   0.500E-03 -.325E-03 0.166E-03
   0.144E+02 0.134E+01 0.199E+02   -.145E+02 -.137E+01 -.199E+02   0.666E-01 0.331E-01 -.887E-02   0.117E-02 -.696E-03 0.522E-03
   0.327E+01 -.257E+01 0.145E+02   -.327E+01 0.258E+01 -.145E+02   0.719E-02 -.432E-02 -.393E-01   -.621E-03 -.443E-03 0.558E-03
   -.126E+01 0.725E+00 0.153E+02   0.126E+01 -.725E+00 -.152E+02   0.232E-02 -.134E-02 -.325E-01   -.931E-03 0.536E-03 -.136E-02
   -.122E+01 0.123E+02 0.186E+02   0.122E+01 -.123E+02 -.185E+02   -.823E-02 0.268E-01 -.543E-01   -.664E-03 -.739E-03 -.246E-03
   0.885E+01 0.298E+02 0.394E+02   -.899E+01 -.300E+02 -.394E+02   0.139E+00 0.218E+00 -.198E-01   -.246E-02 -.251E-02 -.326E-02
   0.351E+02 0.613E+01 0.453E+02   -.357E+02 -.639E+01 -.456E+02   0.632E+00 0.261E+00 0.344E+00   -.384E-02 -.930E-03 0.788E-04
   0.182E+02 -.105E+02 0.205E+02   -.182E+02 0.105E+02 -.204E+02   0.670E-01 -.387E-01 -.129E+00   -.880E-03 0.505E-03 -.441E-03
   0.386E+01 -.154E+01 0.145E+02   -.387E+01 0.154E+01 -.145E+02   0.734E-02 -.406E-02 -.393E-01   0.699E-04 0.755E-03 0.553E-03
   -.313E+01 0.342E+01 0.163E+02   0.316E+01 -.343E+01 -.163E+02   -.258E-01 0.758E-02 -.308E-02   0.679E-03 -.109E-02 0.105E-02
   -.171E+02 0.207E+02 0.264E+02   0.173E+02 -.208E+02 -.264E+02   -.221E+00 0.144E+00 -.574E-01   -.833E-03 -.207E-02 -.281E-03
   -.264E+02 0.152E+02 0.689E+02   0.274E+02 -.158E+02 -.710E+02   -.970E+00 0.560E+00 0.210E+01   0.847E-04 -.462E-04 0.400E-02
   0.122E+02 -.335E+02 0.453E+02   -.123E+02 0.341E+02 -.456E+02   0.898E-01 -.678E+00 0.344E+00   -.111E-02 0.379E-02 0.756E-04
   0.604E+01 -.131E+02 0.199E+02   -.605E+01 0.132E+02 -.199E+02   0.467E-02 -.743E-01 -.887E-02   0.119E-02 -.667E-03 0.514E-03
   -.638E+00 -.370E+01 0.154E+02   0.643E+00 0.372E+01 -.154E+02   -.647E-02 -.216E-01 0.190E-02   0.855E-03 -.131E-02 -.113E-02
   -.917E+01 0.530E+01 0.155E+02   0.919E+01 -.531E+01 -.155E+02   -.164E-01 0.947E-02 0.437E-02   0.137E-03 -.729E-04 0.472E-03
   -.265E+02 0.448E+01 0.264E+02   0.267E+02 -.460E+01 -.264E+02   -.235E+00 0.119E+00 -.574E-01   0.138E-02 0.176E-02 -.276E-03
   -.214E+02 -.226E+02 0.394E+02   0.215E+02 0.228E+02 -.394E+02   -.119E+00 -.230E+00 -.198E-01   0.952E-03 0.338E-02 -.326E-02
   -.273E+01 -.182E+02 0.249E+02   0.274E+01 0.183E+02 -.249E+02   -.966E-02 -.109E+00 -.623E-02   0.537E-03 -.269E-03 0.163E-03
   0.195E+01 -.113E+01 0.179E+02   -.196E+01 0.113E+01 -.179E+02   0.954E-02 -.551E-02 -.437E-02   0.744E-03 -.427E-03 0.362E-02
   0.288E+01 0.240E+01 0.154E+02   -.290E+01 -.242E+01 -.154E+02   0.155E-01 0.164E-01 0.190E-02   0.156E-02 -.774E-04 -.113E-02
   -.453E+01 0.100E+01 0.163E+02   0.455E+01 -.102E+01 -.163E+02   -.195E-01 0.185E-01 -.308E-02   0.128E-02 -.418E-04 0.106E-02
   -.112E+02 -.507E+01 0.186E+02   0.112E+02 0.508E+01 -.185E+02   -.273E-01 -.626E-02 -.543E-01   0.310E-03 0.942E-03 -.240E-03
   -.578E+01 -.685E+01 0.205E+02   0.579E+01 0.688E+01 -.205E+02   -.672E-02 -.342E-01 -.158E-01   -.717E-03 0.147E-02 0.489E-02
 -----------------------------------------------------------------------------------------------
   -.183E-02 0.314E-03 0.853E+01   0.295E-12 -.123E-12 0.362E-12   -.158E-15 0.402E-15 -.859E+01   -.162E-06 0.661E-07 0.631E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85285      6.06039     12.32316         0.000000      0.000000      0.031561
      2.26047      6.76640     13.64308         0.000376      0.000652     -0.006963
      1.44523      5.35437     13.64308        -0.000376     -0.000652     -0.006963
      0.00059     -0.00034      9.93721        -0.001113      0.000643     -0.003279
     11.11163      2.13922      9.93947         0.001185      0.002404     -0.000500
      9.87615      4.27876      9.95396         0.004246     -0.006727     -0.000194
      8.64295      6.41788      9.95418        -0.000942     -0.003370     -0.001318
     -4.93590      8.55490      9.94774        -0.003331     -0.001966     -0.000239
      2.47011     -0.00115      9.94774         0.000037      0.003868     -0.000239
      1.23470      2.13605      9.95340         0.001660     -0.006162      0.000409
     -0.00399      4.27459      9.98475         0.005398      0.001527     -0.001742
     -1.23828      6.41559      9.99140        -0.000698     -0.000874     -0.000753
     -2.46692      8.55440      9.96233        -0.004811      0.002778     -0.001054
      4.93830      0.00124      9.95418         0.002447      0.002501     -0.001318
      3.70468      2.13642      9.96257         0.003299      0.000966      0.000954
      2.47059      4.26288     10.02976         0.001681     -0.002447     -0.002349
      1.22838      6.42092     10.10174         0.002055     -0.001186      0.008347
     -0.00033      8.55978      9.99140         0.000408      0.001041     -0.000753
      7.40744      0.00283      9.95396         0.007948     -0.000314     -0.000194
      6.17314      2.13992      9.95445        -0.001102      0.003393      0.001297
      4.94021      4.27790      9.98539        -0.005903      0.003408     -0.001938
      3.71841      6.42417     10.02976         0.002960     -0.000232     -0.002349
      2.47098      8.56136      9.98475         0.001376     -0.005438     -0.001742
      9.87807      0.00264      9.93947        -0.001489     -0.002229     -0.000500
      8.64225      2.14053      9.94313        -0.000355      0.000205     -0.002025
      7.40822      4.27914      9.95445        -0.003490     -0.000742      0.001297
      6.17702      6.41864      9.96257         0.000812     -0.003340      0.000954
      4.94234      8.55789      9.95340         0.006167      0.001644      0.000409
     -0.00042      1.42463      9.93947         0.001489      0.002229     -0.000500
     -1.23664      3.56288      9.95340        -0.006167     -0.001644      0.000409
     -2.47132      5.70214      9.96257        -0.000812      0.003340      0.000954
     -3.70252      7.84163      9.95445         0.003490      0.000742      0.001297
     -4.93655      9.98024      9.94313         0.000355     -0.000205     -0.002025
      2.47021      1.42444      9.95396        -0.007948      0.000314     -0.000194
      1.23472      3.55942      9.98475        -0.001376      0.005438     -0.001742
     -0.01271      5.69660     10.02976        -0.002960      0.000232     -0.002349
     -1.23451      7.84287      9.98539         0.005903     -0.003408     -0.001938
     -2.46744      9.98085      9.95445         0.001102     -0.003393      0.001297
      4.93935      1.42602      9.95418        -0.002447     -0.002501     -0.001318
      3.70603      3.56099      9.99140        -0.000408     -0.001041     -0.000753
      2.47732      5.69985     10.10174        -0.002055      0.001186      0.008347
      1.23511      7.85789     10.02976        -0.001681      0.002447     -0.002349
      0.00102      9.98435      9.96257        -0.003299     -0.000966      0.000954
      7.40754      1.42841      9.94774        -0.000037     -0.003868     -0.000239
      6.17262      3.56637      9.96233         0.004811     -0.002778     -0.001054
      4.94398      5.70518      9.99140         0.000698      0.000874     -0.000753
      3.70969      7.84619      9.98475        -0.005398     -0.001527     -0.001742
      2.47100      9.98472      9.95340        -0.001660      0.006162      0.000409
      9.87706      1.42761      9.93721         0.001113     -0.000643     -0.003279
      8.64160      3.56587      9.94774         0.003331      0.001966     -0.000239
      7.40958      5.70458      9.95418         0.000942      0.003370     -0.001318
      6.17638      7.84371      9.95396        -0.004246      0.006727     -0.000194
      4.94090      9.98324      9.93947        -0.001185     -0.002404     -0.000500
 -----------------------------------------------------------------------------------
    total drift:                               -0.001832      0.000314      0.005042


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




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


    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  187.97: CPU time   94.17
     LOOP+:  VPU time 5754.40: CPU time 2956.28


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


    POTLOK:  VPU time    8.44: CPU time    8.27
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1702.24: CPU time  878.45
 BZINTS: Fermi energy: -3.081012;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  115.13: CPU time   58.08
    MIXING:  VPU time    0.14: CPU time    0.14
    ------------------------------------------
      LOOP:  VPU time 1826.33: CPU time  945.32

 eigenvalue-minimisations  :  5536
 total energy-change (2. order) :-0.4716451E+03  (-0.2003485E-03)
 number of electron  212.0000066 magnetization    0.0000000
 augmentation part     7.9612254 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.16085E-02    rms(broyden)= 0.16083E-02
  rms(prec ) = 0.17210E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34050.32600344
  -1/2 Hartree   DENC   =    -40950.03573533
  -V(xc)+E(xc)   XCENC  =       726.61832408
  PAW double counting   =      4093.10084712    -4131.47947825
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.61490116
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64508650 eV

  energy without entropy =     -471.64508650  energy(sigma->0) =     -471.64508650


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




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


    POTLOK:  VPU time    9.12: CPU time    9.12
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1479.72: CPU time  764.01
 BZINTS: Fermi energy: -3.081469;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1489.24: CPU time  773.51

 eigenvalue-minimisations  :  4496
 total energy-change (2. order) : 0.1669827E-05  (-0.4142496E-05)
 number of electron  212.0000066 magnetization    0.0000000
 augmentation part     7.9612254 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34050.32600344
  -1/2 Hartree   DENC   =    -40950.11470889
  -V(xc)+E(xc)   XCENC  =       726.62140439
  PAW double counting   =      4093.12580758    -4131.50356580
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.53987915
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64508483 eV

  energy without entropy =     -471.64508483  energy(sigma->0) =     -471.64508483


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




 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 -58.5362       2 -39.9783       3 -39.9783       4 -58.2455       5 -58.2500
       6 -58.2571       7 -58.2479       8 -58.2462       9 -58.2462      10 -58.2621
      11 -58.3168      12 -58.2935      13 -58.2511      14 -58.2479      15 -58.2588
      16 -58.4389      17 -58.7323      18 -58.2935      19 -58.2571      20 -58.2515
      21 -58.2786      22 -58.4389      23 -58.3168      24 -58.2500      25 -58.2450
      26 -58.2515      27 -58.2588      28 -58.2621      29 -58.2499      30 -58.2620
      31 -58.2587      32 -58.2514      33 -58.2449      34 -58.2570      35 -58.3167
      36 -58.4388      37 -58.2785      38 -58.2514      39 -58.2478      40 -58.2934
      41 -58.7322      42 -58.4388      43 -58.2587      44 -58.2461      45 -58.2510
      46 -58.2934      47 -58.3167      48 -58.2620      49 -58.2454      50 -58.2461
      51 -58.2478      52 -58.2571      53 -58.2499
 
 
 
 E-fermi :  -3.0815     XC(G=0):  -2.3479     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     -22.3588      1.00000
      2     -21.5388      1.00000
      3     -21.4094      1.00000
      4     -21.4082      1.00000
      5     -21.3772      1.00000
      6     -21.3680      1.00000
      7     -21.3611      1.00000
      8     -19.6483      1.00000
      9     -19.5744      1.00000
     10     -19.5671      1.00000
     11     -19.5604      1.00000
     12     -19.5423      1.00000
     13     -19.5398      1.00000
     14     -18.7299      1.00000
     15     -18.6819      1.00000
     16     -18.6737      1.00000
     17     -18.6608      1.00000
     18     -18.6456      1.00000
     19     -18.6434      1.00000
     20     -16.5871      1.00000
     21     -16.5283      1.00000
     22     -16.5260      1.00000
     23     -16.5126      1.00000
     24     -16.4882      1.00000
     25     -16.4869      1.00000
     26     -15.5606      1.00000
     27     -15.5288      1.00000
     28     -15.5276      1.00000
     29     -15.5017      1.00000
     30     -15.4961      1.00000
     31     -15.4909      1.00000
     32     -14.2076      1.00000
     33     -14.1820      1.00000
     34     -14.1697      1.00000
     35     -14.1669      1.00000
     36     -14.1616      1.00000
     37     -14.1502      1.00000
     38     -11.8849      1.00000
     39     -11.8096      1.00000
     40     -11.7936      1.00000
     41     -11.7934      1.00000
     42     -11.7896      1.00000
     43     -11.7842      1.00000
     44     -11.7066      1.00000
     45     -11.6998      1.00000
     46     -11.6744      1.00000
     47     -11.6600      1.00000
     48     -11.6591      1.00000
     49     -11.6527      1.00000
     50     -10.6741      1.00000
     51     -10.3305      1.00000
     52     -10.3228      1.00000
     53     -10.3073      1.00000
     54     -10.3057      1.00000
     55     -10.2930      1.00000
     56     -10.2800      1.00000
     57      -9.9276      1.00000
     58      -9.3744      1.00000
     59      -9.3608      1.00000
     60      -9.3020      1.00000
     61      -9.2937      1.00000
     62      -9.2872      1.00000
     63      -9.0932      1.00000
     64      -9.0566      1.00000
     65      -9.0506      1.00000
     66      -9.0286      1.00000
     67      -9.0087      1.00000
     68      -9.0026      1.00000
     69      -9.0021      1.00000
     70      -8.9968      1.00000
     71      -8.9933      1.00000
     72      -8.9735      1.00000
     73      -8.9654      1.00000
     74      -8.9559      1.00000
     75      -8.4976      1.00000
     76      -7.5121      1.00000
     77      -7.4123      1.00000
     78      -7.4116      1.00000
     79      -7.4007      1.00000
     80      -7.3842      1.00000
     81      -7.3660      1.00000
     82      -7.3421      1.00000
     83      -7.3116      1.00000
     84      -7.2699      1.00000
     85      -7.2078      1.00000
     86      -7.1815      1.00000
     87      -7.1814      1.00000
     88      -7.0741      1.00000
     89      -6.5093      1.00000
     90      -6.4620      1.00000
     91      -6.3558      1.00000
     92      -6.2949      1.00000
     93      -6.2890      1.00000
     94      -6.2882      1.00000
     95      -5.8977      1.00000
     96      -5.8866      1.00000
     97      -5.0455      1.00000
     98      -4.9354      1.00000
     99      -4.5389      1.00000
    100      -4.3417      1.00000
    101      -4.3191      1.00000
    102      -4.3182      1.00000
    103      -4.1163      1.00000
    104      -3.9123      1.00000
    105      -3.9024      1.00000
    106      -3.8313      1.00000
    107      -1.6825      0.00000
    108      -1.6688      0.00000
    109      -1.5377      0.00000
    110      -1.5354      0.00000
    111      -1.5243      0.00000
    112      -1.5099      0.00000
    113      -0.5880      0.00000
    114       0.1333      0.00000
    115       0.2058      0.00000
    116       0.3241      0.00000
    117       0.3259      0.00000
    118       0.3335      0.00000
    119       0.4938      0.00000
    120       0.5907      0.00000
    121       1.2575      0.00000
    122       1.2673      0.00000
    123       1.5175      0.00000
    124       1.7949      0.00000
    125       1.7996      0.00000
    126       1.8027      0.00000
    127       1.8071      0.00000
    128       1.9443      0.00000
    129       1.9748      0.00000
    130       2.0313      0.00000
    131       2.0453      0.00000
    132       2.0505      0.00000
    133       2.0543      0.00000
    134       2.0565      0.00000
    135       2.2992      0.00000
    136       2.3225      0.00000
    137       2.6037      0.00000
    138       2.6107      0.00000
    139       2.6374      0.00000
    140       2.7181      0.00000
    141       2.8572      0.00000
    142       3.0259      0.00000
    143       3.0565      0.00000
    144       3.0852      0.00000
    145       3.0929      0.00000
    146       3.0990      0.00000
    147       3.0993      0.00000
    148       3.2248      0.00000
    149       3.4422      0.00000
    150       3.5355      0.00000
    151       3.7863      0.00000
    152       3.9440      0.00000
    153       3.9449      0.00000
    154       3.9510      0.00000
    155       3.9562      0.00000
    156       3.9958      0.00000
    157       4.1755      0.00000
    158       4.2604      0.00000
    159       4.2839      0.00000
    160       4.2844      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3222      1.00000
      2     -21.7635      1.00000
      3     -21.5730      1.00000
      4     -21.5401      1.00000
      5     -21.2099      1.00000
      6     -21.1651      1.00000
      7     -20.9895      1.00000
      8     -20.1039      1.00000
      9     -20.0597      1.00000
     10     -19.5482      1.00000
     11     -19.5237      1.00000
     12     -19.3513      1.00000
     13     -19.0266      1.00000
     14     -18.9916      1.00000
     15     -18.9835      1.00000
     16     -18.9712      1.00000
     17     -18.2993      1.00000
     18     -18.2800      1.00000
     19     -17.9540      1.00000
     20     -17.0113      1.00000
     21     -16.9614      1.00000
     22     -16.8805      1.00000
     23     -16.8703      1.00000
     24     -16.4064      1.00000
     25     -16.3916      1.00000
     26     -15.5536      1.00000
     27     -15.5379      1.00000
     28     -15.1992      1.00000
     29     -15.1710      1.00000
     30     -15.1167      1.00000
     31     -15.0298      1.00000
     32     -15.0047      1.00000
     33     -14.6378      1.00000
     34     -14.6262      1.00000
     35     -13.6689      1.00000
     36     -13.6536      1.00000
     37     -13.1714      1.00000
     38     -12.5526      1.00000
     39     -12.5192      1.00000
     40     -12.3930      1.00000
     41     -12.3801      1.00000
     42     -12.0586      1.00000
     43     -12.0357      1.00000
     44     -11.6607      1.00000
     45     -11.6188      1.00000
     46     -11.1816      1.00000
     47     -11.1584      1.00000
     48     -10.9665      1.00000
     49     -10.9427      1.00000
     50     -10.8750      1.00000
     51     -10.8390      1.00000
     52     -10.6036      1.00000
     53     -10.0948      1.00000
     54     -10.0906      1.00000
     55     -10.0471      1.00000
     56      -9.9724      1.00000
     57      -9.6555      1.00000
     58      -9.6312      1.00000
     59      -9.5936      1.00000
     60      -9.5311      1.00000
     61      -9.5117      1.00000
     62      -9.4808      1.00000
     63      -9.2658      1.00000
     64      -9.2430      1.00000
     65      -9.2224      1.00000
     66      -9.1676      1.00000
     67      -9.0701      1.00000
     68      -9.0489      1.00000
     69      -9.0422      1.00000
     70      -8.8844      1.00000
     71      -8.8076      1.00000
     72      -8.5780      1.00000
     73      -8.5237      1.00000
     74      -8.4604      1.00000
     75      -8.0366      1.00000
     76      -7.8123      1.00000
     77      -7.8081      1.00000
     78      -7.7938      1.00000
     79      -7.7019      1.00000
     80      -7.6922      1.00000
     81      -7.3619      1.00000
     82      -7.2754      1.00000
     83      -7.2655      1.00000
     84      -7.2162      1.00000
     85      -7.1735      1.00000
     86      -7.0097      1.00000
     87      -6.9483      1.00000
     88      -6.7475      1.00000
     89      -6.6734      1.00000
     90      -6.5954      1.00000
     91      -6.5606      1.00000
     92      -6.0516      1.00000
     93      -6.0479      1.00000
     94      -6.0225      1.00000
     95      -5.9601      1.00000
     96      -5.7376      1.00000
     97      -5.1545      1.00000
     98      -4.9889      1.00000
     99      -4.7194      1.00000
    100      -4.6121      1.00000
    101      -4.4402      1.00000
    102      -4.3738      1.00000
    103      -4.1220      1.00000
    104      -3.8685      1.00000
    105      -3.8317      1.00000
    106      -3.7915      1.00000
    107      -1.7860      0.00000
    108      -1.7395      0.00000
    109      -1.3956      0.00000
    110      -1.3466      0.00000
    111      -1.2658      0.00000
    112      -1.2267      0.00000
    113      -0.7467      0.00000
    114      -0.3807      0.00000
    115      -0.2207      0.00000
    116      -0.0203      0.00000
    117       0.5860      0.00000
    118       0.7349      0.00000
    119       0.7635      0.00000
    120       1.0491      0.00000
    121       1.1408      0.00000
    122       1.2485      0.00000
    123       1.2676      0.00000
    124       1.4103      0.00000
    125       1.4748      0.00000
    126       1.5770      0.00000
    127       1.7545      0.00000
    128       1.8379      0.00000
    129       1.8955      0.00000
    130       1.9569      0.00000
    131       2.1018      0.00000
    132       2.2275      0.00000
    133       2.2452      0.00000
    134       2.2894      0.00000
    135       2.4852      0.00000
    136       2.6073      0.00000
    137       2.6347      0.00000
    138       2.7613      0.00000
    139       2.7941      0.00000
    140       2.8570      0.00000
    141       2.8657      0.00000
    142       2.8917      0.00000
    143       2.9555      0.00000
    144       3.0735      0.00000
    145       3.2774      0.00000
    146       3.2975      0.00000
    147       3.3744      0.00000
    148       3.4067      0.00000
    149       3.4634      0.00000
    150       3.5828      0.00000
    151       3.6347      0.00000
    152       3.6679      0.00000
    153       3.7055      0.00000
    154       3.9009      0.00000
    155       3.9356      0.00000
    156       3.9777      0.00000
    157       4.0777      0.00000
    158       4.1962      0.00000
    159       4.2417      0.00000
    160       4.2928      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2165      1.00000
      2     -22.0102      1.00000
      3     -21.6516      1.00000
      4     -21.6145      1.00000
      5     -20.9152      1.00000
      6     -20.8689      1.00000
      7     -20.5479      1.00000
      8     -20.5086      1.00000
      9     -20.4981      1.00000
     10     -19.9658      1.00000
     11     -19.4445      1.00000
     12     -19.4174      1.00000
     13     -19.2436      1.00000
     14     -19.2293      1.00000
     15     -18.3861      1.00000
     16     -18.3419      1.00000
     17     -17.8619      1.00000
     18     -17.8409      1.00000
     19     -17.6998      1.00000
     20     -17.6572      1.00000
     21     -17.3740      1.00000
     22     -17.3579      1.00000
     23     -17.2762      1.00000
     24     -16.4029      1.00000
     25     -16.3881      1.00000
     26     -15.8987      1.00000
     27     -15.3543      1.00000
     28     -15.3392      1.00000
     29     -15.0364      1.00000
     30     -15.0228      1.00000
     31     -14.8010      1.00000
     32     -14.7765      1.00000
     33     -14.2238      1.00000
     34     -14.1916      1.00000
     35     -13.3728      1.00000
     36     -13.3388      1.00000
     37     -13.1214      1.00000
     38     -13.1040      1.00000
     39     -12.9185      1.00000
     40     -12.9052      1.00000
     41     -12.5582      1.00000
     42     -12.5403      1.00000
     43     -12.1349      1.00000
     44     -11.5234      1.00000
     45     -11.4757      1.00000
     46     -11.2552      1.00000
     47     -11.2216      1.00000
     48     -11.0812      1.00000
     49     -10.6596      1.00000
     50     -10.5903      1.00000
     51     -10.5244      1.00000
     52     -10.2598      1.00000
     53     -10.2507      1.00000
     54     -10.1243      1.00000
     55     -10.0503      1.00000
     56     -10.0424      1.00000
     57      -9.7712      1.00000
     58      -9.7073      1.00000
     59      -9.6816      1.00000
     60      -9.6319      1.00000
     61      -9.6285      1.00000
     62      -9.5897      1.00000
     63      -9.2960      1.00000
     64      -9.2869      1.00000
     65      -9.2546      1.00000
     66      -9.0883      1.00000
     67      -8.8990      1.00000
     68      -8.8849      1.00000
     69      -8.7265      1.00000
     70      -8.5902      1.00000
     71      -8.5154      1.00000
     72      -8.3325      1.00000
     73      -8.3040      1.00000
     74      -8.2656      1.00000
     75      -8.2346      1.00000
     76      -8.1964      1.00000
     77      -8.1874      1.00000
     78      -8.1720      1.00000
     79      -8.1020      1.00000
     80      -7.6899      1.00000
     81      -7.3549      1.00000
     82      -7.3113      1.00000
     83      -7.2655      1.00000
     84      -7.1882      1.00000
     85      -7.1256      1.00000
     86      -7.0779      1.00000
     87      -6.9084      1.00000
     88      -6.8837      1.00000
     89      -6.5503      1.00000
     90      -6.4939      1.00000
     91      -6.2107      1.00000
     92      -6.0701      1.00000
     93      -5.9425      1.00000
     94      -5.7153      1.00000
     95      -5.6340      1.00000
     96      -5.4532      1.00000
     97      -5.3057      1.00000
     98      -5.2353      1.00000
     99      -5.1535      1.00000
    100      -5.1527      1.00000
    101      -4.5217      1.00000
    102      -4.4700      1.00000
    103      -4.1416      1.00000
    104      -3.8348      1.00000
    105      -3.7577      1.00000
    106      -3.6810      1.00000
    107      -1.8718      0.00000
    108      -1.8249      0.00000
    109      -1.2785      0.00000
    110      -1.0366      0.00000
    111      -1.0129      0.00000
    112      -0.7136      0.00000
    113      -0.6404      0.00000
    114      -0.5890      0.00000
    115      -0.5467      0.00000
    116      -0.2051      0.00000
    117       0.2516      0.00000
    118       0.2781      0.00000
    119       0.7553      0.00000
    120       0.9409      0.00000
    121       1.1307      0.00000
    122       1.2240      0.00000
    123       1.3176      0.00000
    124       1.4083      0.00000
    125       1.5967      0.00000
    126       1.6326      0.00000
    127       1.6952      0.00000
    128       1.8218      0.00000
    129       1.9118      0.00000
    130       2.0054      0.00000
    131       2.1067      0.00000
    132       2.3264      0.00000
    133       2.3939      0.00000
    134       2.4273      0.00000
    135       2.5334      0.00000
    136       2.6311      0.00000
    137       2.7571      0.00000
    138       2.8180      0.00000
    139       2.8281      0.00000
    140       2.8859      0.00000
    141       3.0407      0.00000
    142       3.0857      0.00000
    143       3.1799      0.00000
    144       3.2327      0.00000
    145       3.3804      0.00000
    146       3.4186      0.00000
    147       3.4776      0.00000
    148       3.5727      0.00000
    149       3.5960      0.00000
    150       3.6253      0.00000
    151       3.6478      0.00000
    152       3.7388      0.00000
    153       3.7678      0.00000
    154       3.7814      0.00000
    155       3.8070      0.00000
    156       3.8892      0.00000
    157       3.9721      0.00000
    158       4.0008      0.00000
    159       4.1712      0.00000
    160       4.2345      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2503      1.00000
      2     -21.8958      1.00000
      3     -21.8256      1.00000
      4     -21.3140      1.00000
      5     -21.2837      1.00000
      6     -20.7725      1.00000
      7     -20.7070      1.00000
      8     -20.5584      1.00000
      9     -20.0109      1.00000
     10     -20.0034      1.00000
     11     -19.6500      1.00000
     12     -19.6256      1.00000
     13     -18.9314      1.00000
     14     -18.9229      1.00000
     15     -18.5726      1.00000
     16     -18.5582      1.00000
     17     -18.3958      1.00000
     18     -17.6165      1.00000
     19     -17.5604      1.00000
     20     -17.5555      1.00000
     21     -17.5142      1.00000
     22     -17.0578      1.00000
     23     -17.0395      1.00000
     24     -16.8928      1.00000
     25     -15.9310      1.00000
     26     -15.8692      1.00000
     27     -15.5183      1.00000
     28     -15.5176      1.00000
     29     -15.2298      1.00000
     30     -14.7965      1.00000
     31     -14.7687      1.00000
     32     -14.5168      1.00000
     33     -14.4729      1.00000
     34     -14.1029      1.00000
     35     -14.0923      1.00000
     36     -13.0777      1.00000
     37     -13.0351      1.00000
     38     -12.9685      1.00000
     39     -12.9562      1.00000
     40     -12.6469      1.00000
     41     -12.6403      1.00000
     42     -12.2757      1.00000
     43     -12.2446      1.00000
     44     -11.5884      1.00000
     45     -11.5616      1.00000
     46     -11.5080      1.00000
     47     -10.9053      1.00000
     48     -10.8527      1.00000
     49     -10.6221      1.00000
     50     -10.5609      1.00000
     51     -10.4858      1.00000
     52     -10.4350      1.00000
     53     -10.4252      1.00000
     54     -10.3724      1.00000
     55     -10.2957      1.00000
     56     -10.0667      1.00000
     57      -9.8352      1.00000
     58      -9.5502      1.00000
     59      -9.4901      1.00000
     60      -9.4714      1.00000
     61      -9.3475      1.00000
     62      -9.3323      1.00000
     63      -9.3122      1.00000
     64      -9.3099      1.00000
     65      -9.2159      1.00000
     66      -9.1128      1.00000
     67      -9.0816      1.00000
     68      -9.0509      1.00000
     69      -8.8489      1.00000
     70      -8.7940      1.00000
     71      -8.7754      1.00000
     72      -8.5289      1.00000
     73      -8.4767      1.00000
     74      -8.2228      1.00000
     75      -8.1111      1.00000
     76      -8.1008      1.00000
     77      -7.8090      1.00000
     78      -7.7850      1.00000
     79      -7.7826      1.00000
     80      -7.6749      1.00000
     81      -7.6333      1.00000
     82      -7.6313      1.00000
     83      -7.4008      1.00000
     84      -7.3260      1.00000
     85      -7.1980      1.00000
     86      -6.8402      1.00000
     87      -6.8304      1.00000
     88      -6.6622      1.00000
     89      -6.5398      1.00000
     90      -6.3457      1.00000
     91      -6.3085      1.00000
     92      -6.1853      1.00000
     93      -6.1481      1.00000
     94      -5.9784      1.00000
     95      -5.5727      1.00000
     96      -5.4271      1.00000
     97      -5.2598      1.00000
     98      -5.2490      1.00000
     99      -5.1503      1.00000
    100      -4.6964      1.00000
    101      -4.6654      1.00000
    102      -4.3493      1.00000
    103      -4.3146      1.00000
    104      -3.9640      1.00000
    105      -3.8278      1.00000
    106      -3.3910      1.00000
    107      -2.2210      0.00000
    108      -1.3773      0.00000
    109      -1.2876      0.00000
    110      -1.1742      0.00000
    111      -1.0789      0.00000
    112      -0.8948      0.00000
    113      -0.7691      0.00000
    114      -0.7578      0.00000
    115      -0.2212      0.00000
    116       0.1129      0.00000
    117       0.2631      0.00000
    118       0.3454      0.00000
    119       0.7293      0.00000
    120       0.9035      0.00000
    121       0.9703      0.00000
    122       1.0911      0.00000
    123       1.2020      0.00000
    124       1.5262      0.00000
    125       1.5578      0.00000
    126       1.7072      0.00000
    127       1.8372      0.00000
    128       1.8612      0.00000
    129       1.9672      0.00000
    130       1.9899      0.00000
    131       2.1571      0.00000
    132       2.2613      0.00000
    133       2.4501      0.00000
    134       2.4659      0.00000
    135       2.5066      0.00000
    136       2.6655      0.00000
    137       2.6844      0.00000
    138       2.7272      0.00000
    139       2.7419      0.00000
    140       2.8863      0.00000
    141       3.0174      0.00000
    142       3.0796      0.00000
    143       3.1965      0.00000
    144       3.2500      0.00000
    145       3.2547      0.00000
    146       3.2632      0.00000
    147       3.3560      0.00000
    148       3.4770      0.00000
    149       3.5228      0.00000
    150       3.6934      0.00000
    151       3.7451      0.00000
    152       3.7697      0.00000
    153       3.8317      0.00000
    154       3.8732      0.00000
    155       3.9373      0.00000
    156       3.9838      0.00000
    157       4.0229      0.00000
    158       4.0455      0.00000
    159       4.0527      0.00000
    160       4.1149      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1442      1.00000
      2     -22.0492      1.00000
      3     -21.8891      1.00000
      4     -21.3369      1.00000
      5     -20.9839      1.00000
      6     -20.9456      1.00000
      7     -20.4354      1.00000
      8     -20.3930      1.00000
      9     -20.2288      1.00000
     10     -20.2075      1.00000
     11     -19.8912      1.00000
     12     -19.8237      1.00000
     13     -18.8168      1.00000
     14     -18.7458      1.00000
     15     -18.2917      1.00000
     16     -18.2387      1.00000
     17     -18.0878      1.00000
     18     -18.0678      1.00000
     19     -17.7632      1.00000
     20     -17.7214      1.00000
     21     -17.1906      1.00000
     22     -17.1716      1.00000
     23     -17.1014      1.00000
     24     -17.0656      1.00000
     25     -16.0402      1.00000
     26     -15.8248      1.00000
     27     -15.8019      1.00000
     28     -15.7661      1.00000
     29     -15.1753      1.00000
     30     -14.4927      1.00000
     31     -14.4603      1.00000
     32     -14.2193      1.00000
     33     -13.8971      1.00000
     34     -13.8919      1.00000
     35     -13.7577      1.00000
     36     -13.7374      1.00000
     37     -13.5530      1.00000
     38     -13.5049      1.00000
     39     -13.3024      1.00000
     40     -12.5666      1.00000
     41     -12.1263      1.00000
     42     -12.0678      1.00000
     43     -12.0117      1.00000
     44     -11.9535      1.00000
     45     -11.6126      1.00000
     46     -11.5898      1.00000
     47     -11.0862      1.00000
     48     -11.0534      1.00000
     49     -10.7540      1.00000
     50     -10.6656      1.00000
     51     -10.5267      1.00000
     52     -10.1507      1.00000
     53     -10.1400      1.00000
     54     -10.0981      1.00000
     55      -9.9549      1.00000
     56      -9.9497      1.00000
     57      -9.9189      1.00000
     58      -9.7388      1.00000
     59      -9.7334      1.00000
     60      -9.7020      1.00000
     61      -9.6922      1.00000
     62      -9.4300      1.00000
     63      -9.3647      1.00000
     64      -9.0869      1.00000
     65      -9.0087      1.00000
     66      -8.9761      1.00000
     67      -8.8892      1.00000
     68      -8.8131      1.00000
     69      -8.6592      1.00000
     70      -8.6368      1.00000
     71      -8.5794      1.00000
     72      -8.4797      1.00000
     73      -8.4688      1.00000
     74      -8.3995      1.00000
     75      -8.3959      1.00000
     76      -8.1855      1.00000
     77      -8.1154      1.00000
     78      -7.9788      1.00000
     79      -7.9165      1.00000
     80      -7.8484      1.00000
     81      -7.6186      1.00000
     82      -7.5319      1.00000
     83      -7.4699      1.00000
     84      -7.2531      1.00000
     85      -6.9358      1.00000
     86      -6.8590      1.00000
     87      -6.8127      1.00000
     88      -6.5746      1.00000
     89      -6.4676      1.00000
     90      -6.4217      1.00000
     91      -6.3581      1.00000
     92      -6.0522      1.00000
     93      -5.8782      1.00000
     94      -5.7541      1.00000
     95      -5.7231      1.00000
     96      -5.4773      1.00000
     97      -5.3465      1.00000
     98      -5.1815      1.00000
     99      -5.1574      1.00000
    100      -5.1557      1.00000
    101      -4.7078      1.00000
    102      -4.4404      1.00000
    103      -4.2549      1.00000
    104      -3.9951      1.00000
    105      -3.8266      1.00000
    106      -3.1574      1.00000
    107      -2.4641      0.00000
    108      -1.3800      0.00000
    109      -1.2417      0.00000
    110      -1.1471      0.00000
    111      -1.1154      0.00000
    112      -0.5653      0.00000
    113      -0.4353      0.00000
    114      -0.4309      0.00000
    115      -0.3107      0.00000
    116      -0.1913      0.00000
    117       0.0613      0.00000
    118       0.1155      0.00000
    119       0.5395      0.00000
    120       0.6831      0.00000
    121       0.8670      0.00000
    122       0.9624      0.00000
    123       1.1058      0.00000
    124       1.4906      0.00000
    125       1.6569      0.00000
    126       1.7944      0.00000
    127       1.8680      0.00000
    128       2.0865      0.00000
    129       2.1410      0.00000
    130       2.1927      0.00000
    131       2.2134      0.00000
    132       2.3393      0.00000
    133       2.3609      0.00000
    134       2.4841      0.00000
    135       2.5765      0.00000
    136       2.6636      0.00000
    137       2.8763      0.00000
    138       2.9368      0.00000
    139       2.9622      0.00000
    140       2.9922      0.00000
    141       3.0374      0.00000
    142       3.1461      0.00000
    143       3.1825      0.00000
    144       3.2420      0.00000
    145       3.2859      0.00000
    146       3.3299      0.00000
    147       3.3477      0.00000
    148       3.3770      0.00000
    149       3.4029      0.00000
    150       3.4916      0.00000
    151       3.5433      0.00000
    152       3.6269      0.00000
    153       3.6928      0.00000
    154       3.7051      0.00000
    155       3.7212      0.00000
    156       3.9164      0.00000
    157       3.9335      0.00000
    158       4.0505      0.00000
    159       4.0813      0.00000
    160       4.1934      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2501      1.00000
      2     -21.8975      1.00000
      3     -21.8239      1.00000
      4     -21.3185      1.00000
      5     -21.2798      1.00000
      6     -20.7737      1.00000
      7     -20.7048      1.00000
      8     -20.5568      1.00000
      9     -20.0249      1.00000
     10     -19.9927      1.00000
     11     -19.6524      1.00000
     12     -19.6214      1.00000
     13     -18.9454      1.00000
     14     -18.9107      1.00000
     15     -18.5858      1.00000
     16     -18.5489      1.00000
     17     -18.3940      1.00000
     18     -17.6036      1.00000
     19     -17.5724      1.00000
     20     -17.5431      1.00000
     21     -17.5102      1.00000
     22     -17.0760      1.00000
     23     -17.0296      1.00000
     24     -16.9018      1.00000
     25     -15.9470      1.00000
     26     -15.8534      1.00000
     27     -15.5350      1.00000
     28     -15.5086      1.00000
     29     -15.2110      1.00000
     30     -14.8154      1.00000
     31     -14.7634      1.00000
     32     -14.5110      1.00000
     33     -14.4693      1.00000
     34     -14.0981      1.00000
     35     -14.0949      1.00000
     36     -13.1062      1.00000
     37     -13.0314      1.00000
     38     -12.9580      1.00000
     39     -12.9511      1.00000
     40     -12.6571      1.00000
     41     -12.6289      1.00000
     42     -12.2761      1.00000
     43     -12.2491      1.00000
     44     -11.5745      1.00000
     45     -11.5551      1.00000
     46     -11.5026      1.00000
     47     -10.8795      1.00000
     48     -10.8706      1.00000
     49     -10.6822      1.00000
     50     -10.5265      1.00000
     51     -10.5214      1.00000
     52     -10.4354      1.00000
     53     -10.4176      1.00000
     54     -10.3714      1.00000
     55     -10.2894      1.00000
     56     -10.0622      1.00000
     57      -9.8338      1.00000
     58      -9.5600      1.00000
     59      -9.4860      1.00000
     60      -9.4455      1.00000
     61      -9.3576      1.00000
     62      -9.3406      1.00000
     63      -9.3092      1.00000
     64      -9.3038      1.00000
     65      -9.2077      1.00000
     66      -9.1009      1.00000
     67      -9.0699      1.00000
     68      -9.0508      1.00000
     69      -8.8520      1.00000
     70      -8.7986      1.00000
     71      -8.7792      1.00000
     72      -8.5285      1.00000
     73      -8.4980      1.00000
     74      -8.2279      1.00000
     75      -8.1311      1.00000
     76      -8.0942      1.00000
     77      -7.8073      1.00000
     78      -7.7687      1.00000
     79      -7.7409      1.00000
     80      -7.7044      1.00000
     81      -7.6363      1.00000
     82      -7.6260      1.00000
     83      -7.3882      1.00000
     84      -7.3450      1.00000
     85      -7.2177      1.00000
     86      -6.8447      1.00000
     87      -6.8217      1.00000
     88      -6.6404      1.00000
     89      -6.5304      1.00000
     90      -6.3422      1.00000
     91      -6.2737      1.00000
     92      -6.1966      1.00000
     93      -6.1333      1.00000
     94      -6.0219      1.00000
     95      -5.6366      1.00000
     96      -5.5092      1.00000
     97      -5.2988      1.00000
     98      -5.1570      1.00000
     99      -5.0404      1.00000
    100      -4.7264      1.00000
    101      -4.6862      1.00000
    102      -4.3682      1.00000
    103      -4.1850      1.00000
    104      -4.0081      1.00000
    105      -3.8261      1.00000
    106      -3.4852      1.00000
    107      -2.1655      0.00000
    108      -1.3844      0.00000
    109      -1.2364      0.00000
    110      -1.1860      0.00000
    111      -1.0150      0.00000
    112      -0.9563      0.00000
    113      -0.7981      0.00000
    114      -0.7530      0.00000
    115      -0.3679      0.00000
    116       0.2445      0.00000
    117       0.2759      0.00000
    118       0.3634      0.00000
    119       0.6953      0.00000
    120       0.8676      0.00000
    121       0.9650      0.00000
    122       1.1220      0.00000
    123       1.2308      0.00000
    124       1.4512      0.00000
    125       1.5490      0.00000
    126       1.7786      0.00000
    127       1.8494      0.00000
    128       1.8820      0.00000
    129       1.9794      0.00000
    130       2.0258      0.00000
    131       2.1950      0.00000
    132       2.2048      0.00000
    133       2.3971      0.00000
    134       2.4549      0.00000
    135       2.5512      0.00000
    136       2.6570      0.00000
    137       2.6840      0.00000
    138       2.7242      0.00000
    139       2.7654      0.00000
    140       2.8470      0.00000
    141       2.9607      0.00000
    142       3.0773      0.00000
    143       3.1904      0.00000
    144       3.2361      0.00000
    145       3.2518      0.00000
    146       3.2915      0.00000
    147       3.3294      0.00000
    148       3.4759      0.00000
    149       3.5029      0.00000
    150       3.7047      0.00000
    151       3.7174      0.00000
    152       3.7694      0.00000
    153       3.8555      0.00000
    154       3.8700      0.00000
    155       3.8970      0.00000
    156       3.9945      0.00000
    157       4.0002      0.00000
    158       4.0498      0.00000
    159       4.0616      0.00000
    160       4.0849      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3221      1.00000
      2     -21.7639      1.00000
      3     -21.5702      1.00000
      4     -21.5429      1.00000
      5     -21.2075      1.00000
      6     -21.1684      1.00000
      7     -20.9880      1.00000
      8     -20.1010      1.00000
      9     -20.0619      1.00000
     10     -19.5487      1.00000
     11     -19.5282      1.00000
     12     -19.3469      1.00000
     13     -19.0303      1.00000
     14     -18.9902      1.00000
     15     -18.9798      1.00000
     16     -18.9737      1.00000
     17     -18.2982      1.00000
     18     -18.2843      1.00000
     19     -17.9481      1.00000
     20     -17.0022      1.00000
     21     -16.9613      1.00000
     22     -16.8844      1.00000
     23     -16.8713      1.00000
     24     -16.4177      1.00000
     25     -16.3953      1.00000
     26     -15.5430      1.00000
     27     -15.5398      1.00000
     28     -15.1745      1.00000
     29     -15.1734      1.00000
     30     -15.1326      1.00000
     31     -15.0384      1.00000
     32     -15.0023      1.00000
     33     -14.6352      1.00000
     34     -14.6286      1.00000
     35     -13.6644      1.00000
     36     -13.6550      1.00000
     37     -13.1724      1.00000
     38     -12.5745      1.00000
     39     -12.5142      1.00000
     40     -12.3874      1.00000
     41     -12.3871      1.00000
     42     -12.0367      1.00000
     43     -12.0331      1.00000
     44     -11.6571      1.00000
     45     -11.6170      1.00000
     46     -11.2077      1.00000
     47     -11.1582      1.00000
     48     -10.9568      1.00000
     49     -10.9437      1.00000
     50     -10.8624      1.00000
     51     -10.8304      1.00000
     52     -10.6256      1.00000
     53     -10.1474      1.00000
     54     -10.0859      1.00000
     55     -10.0263      1.00000
     56      -9.9472      1.00000
     57      -9.6331      1.00000
     58      -9.6309      1.00000
     59      -9.6047      1.00000
     60      -9.5418      1.00000
     61      -9.5052      1.00000
     62      -9.4809      1.00000
     63      -9.2740      1.00000
     64      -9.2367      1.00000
     65      -9.2088      1.00000
     66      -9.1815      1.00000
     67      -9.0641      1.00000
     68      -9.0484      1.00000
     69      -9.0448      1.00000
     70      -8.8786      1.00000
     71      -8.8107      1.00000
     72      -8.5368      1.00000
     73      -8.5341      1.00000
     74      -8.5010      1.00000
     75      -8.0318      1.00000
     76      -7.8332      1.00000
     77      -7.8015      1.00000
     78      -7.7758      1.00000
     79      -7.7048      1.00000
     80      -7.6852      1.00000
     81      -7.4115      1.00000
     82      -7.2892      1.00000
     83      -7.2525      1.00000
     84      -7.2044      1.00000
     85      -7.0828      1.00000
     86      -7.0749      1.00000
     87      -6.9397      1.00000
     88      -6.7125      1.00000
     89      -6.6755      1.00000
     90      -6.6303      1.00000
     91      -6.5584      1.00000
     92      -6.0722      1.00000
     93      -6.0325      1.00000
     94      -6.0020      1.00000
     95      -5.9393      1.00000
     96      -5.8007      1.00000
     97      -5.1802      1.00000
     98      -4.8939      1.00000
     99      -4.7943      1.00000
    100      -4.6119      1.00000
    101      -4.5128      1.00000
    102      -4.1403      1.00000
    103      -4.0921      1.00000
    104      -3.9317      1.00000
    105      -3.9164      1.00000
    106      -3.8254      1.00000
    107      -1.7526      0.00000
    108      -1.6973      0.00000
    109      -1.4113      0.00000
    110      -1.3720      0.00000
    111      -1.2655      0.00000
    112      -1.2361      0.00000
    113      -0.6260      0.00000
    114      -0.5990      0.00000
    115      -0.1907      0.00000
    116       0.0406      0.00000
    117       0.5797      0.00000
    118       0.7397      0.00000
    119       0.8485      0.00000
    120       0.9261      0.00000
    121       1.1674      0.00000
    122       1.2088      0.00000
    123       1.2441      0.00000
    124       1.4140      0.00000
    125       1.5952      0.00000
    126       1.6309      0.00000
    127       1.6999      0.00000
    128       1.8040      0.00000
    129       1.9218      0.00000
    130       1.9393      0.00000
    131       2.1412      0.00000
    132       2.1681      0.00000
    133       2.2575      0.00000
    134       2.2949      0.00000
    135       2.5369      0.00000
    136       2.5515      0.00000
    137       2.6363      0.00000
    138       2.7574      0.00000
    139       2.8061      0.00000
    140       2.8467      0.00000
    141       2.8931      0.00000
    142       2.9406      0.00000
    143       3.0084      0.00000
    144       3.0224      0.00000
    145       3.0792      0.00000
    146       3.3025      0.00000
    147       3.3694      0.00000
    148       3.4191      0.00000
    149       3.4749      0.00000
    150       3.6020      0.00000
    151       3.6550      0.00000
    152       3.6647      0.00000
    153       3.6767      0.00000
    154       3.8861      0.00000
    155       3.9722      0.00000
    156       4.0193      0.00000
    157       4.0680      0.00000
    158       4.2327      0.00000
    159       4.2542      0.00000
    160       4.2592      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1431      1.00000
      2     -22.0508      1.00000
      3     -21.8885      1.00000
      4     -21.3378      1.00000
      5     -20.9791      1.00000
      6     -20.9496      1.00000
      7     -20.4303      1.00000
      8     -20.3983      1.00000
      9     -20.2183      1.00000
     10     -20.2163      1.00000
     11     -19.8899      1.00000
     12     -19.8265      1.00000
     13     -18.8197      1.00000
     14     -18.7493      1.00000
     15     -18.2681      1.00000
     16     -18.2534      1.00000
     17     -18.0823      1.00000
     18     -18.0756      1.00000
     19     -17.7481      1.00000
     20     -17.7318      1.00000
     21     -17.1966      1.00000
     22     -17.1733      1.00000
     23     -17.0904      1.00000
     24     -17.0702      1.00000
     25     -16.0560      1.00000
     26     -15.8108      1.00000
     27     -15.8012      1.00000
     28     -15.7794      1.00000
     29     -15.1608      1.00000
     30     -14.4877      1.00000
     31     -14.4662      1.00000
     32     -14.2058      1.00000
     33     -13.9179      1.00000
     34     -13.8885      1.00000
     35     -13.7601      1.00000
     36     -13.7404      1.00000
     37     -13.5384      1.00000
     38     -13.5119      1.00000
     39     -13.3038      1.00000
     40     -12.5787      1.00000
     41     -12.1032      1.00000
     42     -12.0785      1.00000
     43     -12.0008      1.00000
     44     -11.9532      1.00000
     45     -11.6068      1.00000
     46     -11.5991      1.00000
     47     -11.0861      1.00000
     48     -11.0628      1.00000
     49     -10.7341      1.00000
     50     -10.6667      1.00000
     51     -10.5591      1.00000
     52     -10.1413      1.00000
     53     -10.1368      1.00000
     54     -10.1029      1.00000
     55      -9.9676      1.00000
     56      -9.9272      1.00000
     57      -9.9232      1.00000
     58      -9.7523      1.00000
     59      -9.7307      1.00000
     60      -9.6987      1.00000
     61      -9.6961      1.00000
     62      -9.4022      1.00000
     63      -9.3913      1.00000
     64      -9.0701      1.00000
     65      -8.9834      1.00000
     66      -8.9833      1.00000
     67      -8.9072      1.00000
     68      -8.8140      1.00000
     69      -8.6510      1.00000
     70      -8.6352      1.00000
     71      -8.5491      1.00000
     72      -8.5037      1.00000
     73      -8.4847      1.00000
     74      -8.3957      1.00000
     75      -8.3840      1.00000
     76      -8.2112      1.00000
     77      -8.1032      1.00000
     78      -8.0085      1.00000
     79      -7.9032      1.00000
     80      -7.8445      1.00000
     81      -7.6223      1.00000
     82      -7.5352      1.00000
     83      -7.4582      1.00000
     84      -7.2501      1.00000
     85      -6.9431      1.00000
     86      -6.8702      1.00000
     87      -6.8108      1.00000
     88      -6.4787      1.00000
     89      -6.4703      1.00000
     90      -6.4109      1.00000
     91      -6.3615      1.00000
     92      -6.1895      1.00000
     93      -5.8591      1.00000
     94      -5.7388      1.00000
     95      -5.7125      1.00000
     96      -5.5240      1.00000
     97      -5.3297      1.00000
     98      -5.1735      1.00000
     99      -5.1685      1.00000
    100      -5.1352      1.00000
    101      -4.6964      1.00000
    102      -4.3488      1.00000
    103      -4.2797      1.00000
    104      -4.0278      1.00000
    105      -3.8276      1.00000
    106      -3.2342      1.00000
    107      -2.4064      0.00000
    108      -1.3465      0.00000
    109      -1.2443      0.00000
    110      -1.1546      0.00000
    111      -1.1091      0.00000
    112      -0.5845      0.00000
    113      -0.5221      0.00000
    114      -0.4347      0.00000
    115      -0.2756      0.00000
    116      -0.0717      0.00000
    117      -0.0119      0.00000
    118       0.0592      0.00000
    119       0.5826      0.00000
    120       0.7098      0.00000
    121       0.8058      0.00000
    122       0.9378      0.00000
    123       1.1774      0.00000
    124       1.5025      0.00000
    125       1.6159      0.00000
    126       1.8501      0.00000
    127       1.9993      0.00000
    128       2.0467      0.00000
    129       2.1059      0.00000
    130       2.1512      0.00000
    131       2.2637      0.00000
    132       2.2841      0.00000
    133       2.3483      0.00000
    134       2.4598      0.00000
    135       2.6068      0.00000
    136       2.6958      0.00000
    137       2.8130      0.00000
    138       2.9145      0.00000
    139       2.9415      0.00000
    140       3.0124      0.00000
    141       3.0455      0.00000
    142       3.1523      0.00000
    143       3.1638      0.00000
    144       3.2229      0.00000
    145       3.2960      0.00000
    146       3.3067      0.00000
    147       3.3507      0.00000
    148       3.3696      0.00000
    149       3.4116      0.00000
    150       3.4365      0.00000
    151       3.5539      0.00000
    152       3.6067      0.00000
    153       3.7035      0.00000
    154       3.7208      0.00000
    155       3.8407      0.00000
    156       3.8997      0.00000
    157       3.9276      0.00000
    158       3.9568      0.00000
    159       4.1390      0.00000
    160       4.1748      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2160      1.00000
      2     -22.0110      1.00000
      3     -21.6489      1.00000
      4     -21.6175      1.00000
      5     -20.9125      1.00000
      6     -20.8715      1.00000
      7     -20.5417      1.00000
      8     -20.5091      1.00000
      9     -20.5021      1.00000
     10     -19.9647      1.00000
     11     -19.4434      1.00000
     12     -19.4211      1.00000
     13     -19.2426      1.00000
     14     -19.2351      1.00000
     15     -18.3784      1.00000
     16     -18.3431      1.00000
     17     -17.8612      1.00000
     18     -17.8447      1.00000
     19     -17.6935      1.00000
     20     -17.6573      1.00000
     21     -17.3745      1.00000
     22     -17.3599      1.00000
     23     -17.2691      1.00000
     24     -16.4153      1.00000
     25     -16.3922      1.00000
     26     -15.9067      1.00000
     27     -15.3457      1.00000
     28     -15.3411      1.00000
     29     -15.0332      1.00000
     30     -15.0238      1.00000
     31     -14.7779      1.00000
     32     -14.7762      1.00000
     33     -14.2395      1.00000
     34     -14.1883      1.00000
     35     -13.3894      1.00000
     36     -13.3345      1.00000
     37     -13.1128      1.00000
     38     -13.1052      1.00000
     39     -12.9203      1.00000
     40     -12.9144      1.00000
     41     -12.5470      1.00000
     42     -12.5397      1.00000
     43     -12.1349      1.00000
     44     -11.5160      1.00000
     45     -11.4718      1.00000
     46     -11.2469      1.00000
     47     -11.2156      1.00000
     48     -11.0875      1.00000
     49     -10.7064      1.00000
     50     -10.5968      1.00000
     51     -10.5104      1.00000
     52     -10.2531      1.00000
     53     -10.2492      1.00000
     54     -10.1231      1.00000
     55     -10.0554      1.00000
     56     -10.0411      1.00000
     57      -9.7863      1.00000
     58      -9.6886      1.00000
     59      -9.6753      1.00000
     60      -9.6393      1.00000
     61      -9.6297      1.00000
     62      -9.5878      1.00000
     63      -9.2972      1.00000
     64      -9.2852      1.00000
     65      -9.2552      1.00000
     66      -9.0658      1.00000
     67      -8.8961      1.00000
     68      -8.8857      1.00000
     69      -8.7204      1.00000
     70      -8.5825      1.00000
     71      -8.5282      1.00000
     72      -8.3524      1.00000
     73      -8.3062      1.00000
     74      -8.2453      1.00000
     75      -8.2396      1.00000
     76      -8.1956      1.00000
     77      -8.1836      1.00000
     78      -8.1711      1.00000
     79      -8.1090      1.00000
     80      -7.6913      1.00000
     81      -7.4155      1.00000
     82      -7.3448      1.00000
     83      -7.2593      1.00000
     84      -7.1696      1.00000
     85      -7.1120      1.00000
     86      -7.0048      1.00000
     87      -6.9056      1.00000
     88      -6.8483      1.00000
     89      -6.5437      1.00000
     90      -6.4994      1.00000
     91      -6.2118      1.00000
     92      -6.2032      1.00000
     93      -5.8959      1.00000
     94      -5.6741      1.00000
     95      -5.6082      1.00000
     96      -5.5816      1.00000
     97      -5.2545      1.00000
     98      -5.2324      1.00000
     99      -5.1659      1.00000
    100      -5.1357      1.00000
    101      -4.5990      1.00000
    102      -4.2498      1.00000
    103      -4.0443      1.00000
    104      -3.8857      1.00000
    105      -3.8404      1.00000
    106      -3.8012      1.00000
    107      -1.8086      0.00000
    108      -1.7820      0.00000
    109      -1.2265      0.00000
    110      -1.1760      0.00000
    111      -0.9748      0.00000
    112      -0.7356      0.00000
    113      -0.6509      0.00000
    114      -0.5948      0.00000
    115      -0.5499      0.00000
    116      -0.1551      0.00000
    117       0.1754      0.00000
    118       0.2878      0.00000
    119       0.7014      0.00000
    120       0.9439      0.00000
    121       1.1679      0.00000
    122       1.2769      0.00000
    123       1.3402      0.00000
    124       1.5056      0.00000
    125       1.6039      0.00000
    126       1.6249      0.00000
    127       1.6901      0.00000
    128       1.7715      0.00000
    129       1.8537      0.00000
    130       2.0753      0.00000
    131       2.1604      0.00000
    132       2.3188      0.00000
    133       2.3865      0.00000
    134       2.4222      0.00000
    135       2.5488      0.00000
    136       2.6196      0.00000
    137       2.6850      0.00000
    138       2.7467      0.00000
    139       2.8122      0.00000
    140       2.9060      0.00000
    141       3.0496      0.00000
    142       3.0572      0.00000
    143       3.1764      0.00000
    144       3.2754      0.00000
    145       3.3731      0.00000
    146       3.4076      0.00000
    147       3.4554      0.00000
    148       3.5457      0.00000
    149       3.5696      0.00000
    150       3.6292      0.00000
    151       3.6583      0.00000
    152       3.7007      0.00000
    153       3.7840      0.00000
    154       3.7976      0.00000
    155       3.8179      0.00000
    156       3.8867      0.00000
    157       3.9016      0.00000
    158       3.9713      0.00000
    159       4.1860      0.00000
    160       4.2243      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3588      1.00000
      2     -21.5388      1.00000
      3     -21.4094      1.00000
      4     -21.4082      1.00000
      5     -21.3772      1.00000
      6     -21.3680      1.00000
      7     -21.3611      1.00000
      8     -19.6483      1.00000
      9     -19.5744      1.00000
     10     -19.5671      1.00000
     11     -19.5604      1.00000
     12     -19.5423      1.00000
     13     -19.5398      1.00000
     14     -18.7299      1.00000
     15     -18.6819      1.00000
     16     -18.6737      1.00000
     17     -18.6608      1.00000
     18     -18.6456      1.00000
     19     -18.6434      1.00000
     20     -16.5871      1.00000
     21     -16.5283      1.00000
     22     -16.5260      1.00000
     23     -16.5126      1.00000
     24     -16.4882      1.00000
     25     -16.4869      1.00000
     26     -15.5606      1.00000
     27     -15.5288      1.00000
     28     -15.5276      1.00000
     29     -15.5017      1.00000
     30     -15.4961      1.00000
     31     -15.4909      1.00000
     32     -14.2076      1.00000
     33     -14.1820      1.00000
     34     -14.1697      1.00000
     35     -14.1669      1.00000
     36     -14.1616      1.00000
     37     -14.1502      1.00000
     38     -11.8849      1.00000
     39     -11.8096      1.00000
     40     -11.7936      1.00000
     41     -11.7934      1.00000
     42     -11.7896      1.00000
     43     -11.7842      1.00000
     44     -11.7066      1.00000
     45     -11.6998      1.00000
     46     -11.6744      1.00000
     47     -11.6600      1.00000
     48     -11.6591      1.00000
     49     -11.6527      1.00000
     50     -10.6741      1.00000
     51     -10.3305      1.00000
     52     -10.3228      1.00000
     53     -10.3073      1.00000
     54     -10.3057      1.00000
     55     -10.2930      1.00000
     56     -10.2800      1.00000
     57      -9.9276      1.00000
     58      -9.3744      1.00000
     59      -9.3608      1.00000
     60      -9.3020      1.00000
     61      -9.2937      1.00000
     62      -9.2872      1.00000
     63      -9.0932      1.00000
     64      -9.0566      1.00000
     65      -9.0506      1.00000
     66      -9.0286      1.00000
     67      -9.0087      1.00000
     68      -9.0026      1.00000
     69      -9.0021      1.00000
     70      -8.9968      1.00000
     71      -8.9933      1.00000
     72      -8.9735      1.00000
     73      -8.9654      1.00000
     74      -8.9559      1.00000
     75      -8.4976      1.00000
     76      -7.5121      1.00000
     77      -7.4123      1.00000
     78      -7.4116      1.00000
     79      -7.4007      1.00000
     80      -7.3842      1.00000
     81      -7.3660      1.00000
     82      -7.3421      1.00000
     83      -7.3116      1.00000
     84      -7.2699      1.00000
     85      -7.2078      1.00000
     86      -7.1815      1.00000
     87      -7.1814      1.00000
     88      -7.0741      1.00000
     89      -6.5093      1.00000
     90      -6.4620      1.00000
     91      -6.3558      1.00000
     92      -6.2949      1.00000
     93      -6.2890      1.00000
     94      -6.2882      1.00000
     95      -5.8977      1.00000
     96      -5.8866      1.00000
     97      -5.0455      1.00000
     98      -4.9354      1.00000
     99      -4.5389      1.00000
    100      -4.3417      1.00000
    101      -4.3191      1.00000
    102      -4.3182      1.00000
    103      -4.1163      1.00000
    104      -3.9123      1.00000
    105      -3.9024      1.00000
    106      -3.8313      1.00000
    107      -1.6825      0.00000
    108      -1.6688      0.00000
    109      -1.5377      0.00000
    110      -1.5354      0.00000
    111      -1.5243      0.00000
    112      -1.5099      0.00000
    113      -0.5880      0.00000
    114       0.1333      0.00000
    115       0.2058      0.00000
    116       0.3241      0.00000
    117       0.3259      0.00000
    118       0.3335      0.00000
    119       0.4938      0.00000
    120       0.5907      0.00000
    121       1.2575      0.00000
    122       1.2673      0.00000
    123       1.5175      0.00000
    124       1.7949      0.00000
    125       1.7996      0.00000
    126       1.8027      0.00000
    127       1.8071      0.00000
    128       1.9443      0.00000
    129       1.9748      0.00000
    130       2.0313      0.00000
    131       2.0453      0.00000
    132       2.0505      0.00000
    133       2.0543      0.00000
    134       2.0565      0.00000
    135       2.2992      0.00000
    136       2.3225      0.00000
    137       2.6037      0.00000
    138       2.6107      0.00000
    139       2.6374      0.00000
    140       2.7181      0.00000
    141       2.8572      0.00000
    142       3.0259      0.00000
    143       3.0565      0.00000
    144       3.0852      0.00000
    145       3.0929      0.00000
    146       3.0990      0.00000
    147       3.0993      0.00000
    148       3.2248      0.00000
    149       3.4422      0.00000
    150       3.5355      0.00000
    151       3.7863      0.00000
    152       3.9440      0.00000
    153       3.9449      0.00000
    154       3.9510      0.00000
    155       3.9562      0.00000
    156       3.9958      0.00000
    157       4.1755      0.00000
    158       4.2604      0.00000
    159       4.2839      0.00000
    160       4.2844      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3222      1.00000
      2     -21.7635      1.00000
      3     -21.5730      1.00000
      4     -21.5401      1.00000
      5     -21.2099      1.00000
      6     -21.1651      1.00000
      7     -20.9895      1.00000
      8     -20.1039      1.00000
      9     -20.0597      1.00000
     10     -19.5482      1.00000
     11     -19.5237      1.00000
     12     -19.3513      1.00000
     13     -19.0266      1.00000
     14     -18.9916      1.00000
     15     -18.9835      1.00000
     16     -18.9712      1.00000
     17     -18.2993      1.00000
     18     -18.2800      1.00000
     19     -17.9540      1.00000
     20     -17.0113      1.00000
     21     -16.9614      1.00000
     22     -16.8805      1.00000
     23     -16.8703      1.00000
     24     -16.4064      1.00000
     25     -16.3916      1.00000
     26     -15.5536      1.00000
     27     -15.5379      1.00000
     28     -15.1992      1.00000
     29     -15.1710      1.00000
     30     -15.1167      1.00000
     31     -15.0298      1.00000
     32     -15.0047      1.00000
     33     -14.6378      1.00000
     34     -14.6262      1.00000
     35     -13.6689      1.00000
     36     -13.6536      1.00000
     37     -13.1714      1.00000
     38     -12.5526      1.00000
     39     -12.5192      1.00000
     40     -12.3930      1.00000
     41     -12.3801      1.00000
     42     -12.0586      1.00000
     43     -12.0357      1.00000
     44     -11.6607      1.00000
     45     -11.6188      1.00000
     46     -11.1816      1.00000
     47     -11.1584      1.00000
     48     -10.9665      1.00000
     49     -10.9427      1.00000
     50     -10.8750      1.00000
     51     -10.8390      1.00000
     52     -10.6036      1.00000
     53     -10.0948      1.00000
     54     -10.0906      1.00000
     55     -10.0471      1.00000
     56      -9.9724      1.00000
     57      -9.6555      1.00000
     58      -9.6312      1.00000
     59      -9.5936      1.00000
     60      -9.5311      1.00000
     61      -9.5117      1.00000
     62      -9.4808      1.00000
     63      -9.2658      1.00000
     64      -9.2430      1.00000
     65      -9.2224      1.00000
     66      -9.1676      1.00000
     67      -9.0701      1.00000
     68      -9.0489      1.00000
     69      -9.0422      1.00000
     70      -8.8844      1.00000
     71      -8.8076      1.00000
     72      -8.5780      1.00000
     73      -8.5237      1.00000
     74      -8.4604      1.00000
     75      -8.0366      1.00000
     76      -7.8123      1.00000
     77      -7.8081      1.00000
     78      -7.7938      1.00000
     79      -7.7019      1.00000
     80      -7.6922      1.00000
     81      -7.3619      1.00000
     82      -7.2754      1.00000
     83      -7.2655      1.00000
     84      -7.2162      1.00000
     85      -7.1735      1.00000
     86      -7.0097      1.00000
     87      -6.9483      1.00000
     88      -6.7475      1.00000
     89      -6.6734      1.00000
     90      -6.5954      1.00000
     91      -6.5606      1.00000
     92      -6.0516      1.00000
     93      -6.0479      1.00000
     94      -6.0225      1.00000
     95      -5.9601      1.00000
     96      -5.7376      1.00000
     97      -5.1545      1.00000
     98      -4.9889      1.00000
     99      -4.7194      1.00000
    100      -4.6121      1.00000
    101      -4.4402      1.00000
    102      -4.3738      1.00000
    103      -4.1220      1.00000
    104      -3.8685      1.00000
    105      -3.8317      1.00000
    106      -3.7915      1.00000
    107      -1.7860      0.00000
    108      -1.7395      0.00000
    109      -1.3956      0.00000
    110      -1.3466      0.00000
    111      -1.2658      0.00000
    112      -1.2267      0.00000
    113      -0.7467      0.00000
    114      -0.3807      0.00000
    115      -0.2207      0.00000
    116      -0.0203      0.00000
    117       0.5860      0.00000
    118       0.7349      0.00000
    119       0.7635      0.00000
    120       1.0491      0.00000
    121       1.1408      0.00000
    122       1.2485      0.00000
    123       1.2676      0.00000
    124       1.4103      0.00000
    125       1.4748      0.00000
    126       1.5770      0.00000
    127       1.7545      0.00000
    128       1.8379      0.00000
    129       1.8955      0.00000
    130       1.9569      0.00000
    131       2.1018      0.00000
    132       2.2275      0.00000
    133       2.2452      0.00000
    134       2.2894      0.00000
    135       2.4852      0.00000
    136       2.6073      0.00000
    137       2.6347      0.00000
    138       2.7613      0.00000
    139       2.7941      0.00000
    140       2.8570      0.00000
    141       2.8657      0.00000
    142       2.8917      0.00000
    143       2.9555      0.00000
    144       3.0735      0.00000
    145       3.2774      0.00000
    146       3.2975      0.00000
    147       3.3744      0.00000
    148       3.4067      0.00000
    149       3.4634      0.00000
    150       3.5828      0.00000
    151       3.6347      0.00000
    152       3.6679      0.00000
    153       3.7055      0.00000
    154       3.9009      0.00000
    155       3.9356      0.00000
    156       3.9777      0.00000
    157       4.0777      0.00000
    158       4.1962      0.00000
    159       4.2417      0.00000
    160       4.2928      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2165      1.00000
      2     -22.0102      1.00000
      3     -21.6516      1.00000
      4     -21.6145      1.00000
      5     -20.9152      1.00000
      6     -20.8689      1.00000
      7     -20.5479      1.00000
      8     -20.5086      1.00000
      9     -20.4981      1.00000
     10     -19.9658      1.00000
     11     -19.4445      1.00000
     12     -19.4174      1.00000
     13     -19.2436      1.00000
     14     -19.2293      1.00000
     15     -18.3861      1.00000
     16     -18.3419      1.00000
     17     -17.8619      1.00000
     18     -17.8409      1.00000
     19     -17.6998      1.00000
     20     -17.6572      1.00000
     21     -17.3740      1.00000
     22     -17.3579      1.00000
     23     -17.2762      1.00000
     24     -16.4029      1.00000
     25     -16.3881      1.00000
     26     -15.8987      1.00000
     27     -15.3543      1.00000
     28     -15.3392      1.00000
     29     -15.0364      1.00000
     30     -15.0228      1.00000
     31     -14.8010      1.00000
     32     -14.7765      1.00000
     33     -14.2238      1.00000
     34     -14.1916      1.00000
     35     -13.3728      1.00000
     36     -13.3388      1.00000
     37     -13.1214      1.00000
     38     -13.1040      1.00000
     39     -12.9185      1.00000
     40     -12.9052      1.00000
     41     -12.5582      1.00000
     42     -12.5403      1.00000
     43     -12.1349      1.00000
     44     -11.5234      1.00000
     45     -11.4757      1.00000
     46     -11.2552      1.00000
     47     -11.2216      1.00000
     48     -11.0812      1.00000
     49     -10.6596      1.00000
     50     -10.5903      1.00000
     51     -10.5244      1.00000
     52     -10.2598      1.00000
     53     -10.2507      1.00000
     54     -10.1243      1.00000
     55     -10.0503      1.00000
     56     -10.0424      1.00000
     57      -9.7712      1.00000
     58      -9.7073      1.00000
     59      -9.6816      1.00000
     60      -9.6319      1.00000
     61      -9.6285      1.00000
     62      -9.5897      1.00000
     63      -9.2960      1.00000
     64      -9.2869      1.00000
     65      -9.2546      1.00000
     66      -9.0883      1.00000
     67      -8.8990      1.00000
     68      -8.8849      1.00000
     69      -8.7265      1.00000
     70      -8.5902      1.00000
     71      -8.5154      1.00000
     72      -8.3325      1.00000
     73      -8.3040      1.00000
     74      -8.2656      1.00000
     75      -8.2346      1.00000
     76      -8.1964      1.00000
     77      -8.1874      1.00000
     78      -8.1720      1.00000
     79      -8.1020      1.00000
     80      -7.6899      1.00000
     81      -7.3549      1.00000
     82      -7.3113      1.00000
     83      -7.2655      1.00000
     84      -7.1882      1.00000
     85      -7.1256      1.00000
     86      -7.0779      1.00000
     87      -6.9084      1.00000
     88      -6.8837      1.00000
     89      -6.5503      1.00000
     90      -6.4939      1.00000
     91      -6.2107      1.00000
     92      -6.0701      1.00000
     93      -5.9425      1.00000
     94      -5.7153      1.00000
     95      -5.6340      1.00000
     96      -5.4532      1.00000
     97      -5.3057      1.00000
     98      -5.2353      1.00000
     99      -5.1535      1.00000
    100      -5.1527      1.00000
    101      -4.5217      1.00000
    102      -4.4700      1.00000
    103      -4.1416      1.00000
    104      -3.8348      1.00000
    105      -3.7577      1.00000
    106      -3.6810      1.00000
    107      -1.8718      0.00000
    108      -1.8249      0.00000
    109      -1.2785      0.00000
    110      -1.0366      0.00000
    111      -1.0129      0.00000
    112      -0.7136      0.00000
    113      -0.6404      0.00000
    114      -0.5890      0.00000
    115      -0.5467      0.00000
    116      -0.2051      0.00000
    117       0.2516      0.00000
    118       0.2781      0.00000
    119       0.7553      0.00000
    120       0.9409      0.00000
    121       1.1307      0.00000
    122       1.2240      0.00000
    123       1.3176      0.00000
    124       1.4083      0.00000
    125       1.5967      0.00000
    126       1.6326      0.00000
    127       1.6952      0.00000
    128       1.8218      0.00000
    129       1.9118      0.00000
    130       2.0054      0.00000
    131       2.1067      0.00000
    132       2.3264      0.00000
    133       2.3939      0.00000
    134       2.4273      0.00000
    135       2.5334      0.00000
    136       2.6311      0.00000
    137       2.7571      0.00000
    138       2.8180      0.00000
    139       2.8281      0.00000
    140       2.8859      0.00000
    141       3.0407      0.00000
    142       3.0857      0.00000
    143       3.1799      0.00000
    144       3.2327      0.00000
    145       3.3804      0.00000
    146       3.4186      0.00000
    147       3.4776      0.00000
    148       3.5727      0.00000
    149       3.5960      0.00000
    150       3.6253      0.00000
    151       3.6478      0.00000
    152       3.7388      0.00000
    153       3.7678      0.00000
    154       3.7814      0.00000
    155       3.8070      0.00000
    156       3.8892      0.00000
    157       3.9721      0.00000
    158       4.0008      0.00000
    159       4.1712      0.00000
    160       4.2345      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2503      1.00000
      2     -21.8958      1.00000
      3     -21.8256      1.00000
      4     -21.3140      1.00000
      5     -21.2837      1.00000
      6     -20.7725      1.00000
      7     -20.7070      1.00000
      8     -20.5584      1.00000
      9     -20.0109      1.00000
     10     -20.0034      1.00000
     11     -19.6500      1.00000
     12     -19.6256      1.00000
     13     -18.9314      1.00000
     14     -18.9229      1.00000
     15     -18.5726      1.00000
     16     -18.5582      1.00000
     17     -18.3958      1.00000
     18     -17.6165      1.00000
     19     -17.5604      1.00000
     20     -17.5555      1.00000
     21     -17.5142      1.00000
     22     -17.0578      1.00000
     23     -17.0395      1.00000
     24     -16.8928      1.00000
     25     -15.9310      1.00000
     26     -15.8692      1.00000
     27     -15.5183      1.00000
     28     -15.5176      1.00000
     29     -15.2298      1.00000
     30     -14.7965      1.00000
     31     -14.7687      1.00000
     32     -14.5168      1.00000
     33     -14.4729      1.00000
     34     -14.1029      1.00000
     35     -14.0923      1.00000
     36     -13.0777      1.00000
     37     -13.0351      1.00000
     38     -12.9685      1.00000
     39     -12.9562      1.00000
     40     -12.6469      1.00000
     41     -12.6403      1.00000
     42     -12.2757      1.00000
     43     -12.2446      1.00000
     44     -11.5884      1.00000
     45     -11.5616      1.00000
     46     -11.5080      1.00000
     47     -10.9053      1.00000
     48     -10.8527      1.00000
     49     -10.6221      1.00000
     50     -10.5609      1.00000
     51     -10.4858      1.00000
     52     -10.4350      1.00000
     53     -10.4252      1.00000
     54     -10.3724      1.00000
     55     -10.2957      1.00000
     56     -10.0667      1.00000
     57      -9.8352      1.00000
     58      -9.5502      1.00000
     59      -9.4901      1.00000
     60      -9.4714      1.00000
     61      -9.3475      1.00000
     62      -9.3323      1.00000
     63      -9.3122      1.00000
     64      -9.3099      1.00000
     65      -9.2159      1.00000
     66      -9.1128      1.00000
     67      -9.0816      1.00000
     68      -9.0509      1.00000
     69      -8.8489      1.00000
     70      -8.7940      1.00000
     71      -8.7754      1.00000
     72      -8.5289      1.00000
     73      -8.4767      1.00000
     74      -8.2228      1.00000
     75      -8.1111      1.00000
     76      -8.1008      1.00000
     77      -7.8090      1.00000
     78      -7.7850      1.00000
     79      -7.7826      1.00000
     80      -7.6749      1.00000
     81      -7.6333      1.00000
     82      -7.6313      1.00000
     83      -7.4008      1.00000
     84      -7.3260      1.00000
     85      -7.1980      1.00000
     86      -6.8402      1.00000
     87      -6.8304      1.00000
     88      -6.6622      1.00000
     89      -6.5398      1.00000
     90      -6.3457      1.00000
     91      -6.3085      1.00000
     92      -6.1853      1.00000
     93      -6.1481      1.00000
     94      -5.9784      1.00000
     95      -5.5727      1.00000
     96      -5.4271      1.00000
     97      -5.2598      1.00000
     98      -5.2490      1.00000
     99      -5.1503      1.00000
    100      -4.6964      1.00000
    101      -4.6654      1.00000
    102      -4.3493      1.00000
    103      -4.3146      1.00000
    104      -3.9640      1.00000
    105      -3.8278      1.00000
    106      -3.3910      1.00000
    107      -2.2210      0.00000
    108      -1.3773      0.00000
    109      -1.2876      0.00000
    110      -1.1742      0.00000
    111      -1.0789      0.00000
    112      -0.8948      0.00000
    113      -0.7691      0.00000
    114      -0.7578      0.00000
    115      -0.2212      0.00000
    116       0.1129      0.00000
    117       0.2631      0.00000
    118       0.3454      0.00000
    119       0.7293      0.00000
    120       0.9035      0.00000
    121       0.9703      0.00000
    122       1.0911      0.00000
    123       1.2020      0.00000
    124       1.5262      0.00000
    125       1.5578      0.00000
    126       1.7072      0.00000
    127       1.8372      0.00000
    128       1.8612      0.00000
    129       1.9672      0.00000
    130       1.9899      0.00000
    131       2.1571      0.00000
    132       2.2613      0.00000
    133       2.4501      0.00000
    134       2.4659      0.00000
    135       2.5066      0.00000
    136       2.6655      0.00000
    137       2.6844      0.00000
    138       2.7272      0.00000
    139       2.7419      0.00000
    140       2.8863      0.00000
    141       3.0174      0.00000
    142       3.0796      0.00000
    143       3.1965      0.00000
    144       3.2500      0.00000
    145       3.2547      0.00000
    146       3.2632      0.00000
    147       3.3560      0.00000
    148       3.4770      0.00000
    149       3.5228      0.00000
    150       3.6934      0.00000
    151       3.7451      0.00000
    152       3.7697      0.00000
    153       3.8318      0.00000
    154       3.8732      0.00000
    155       3.9373      0.00000
    156       3.9838      0.00000
    157       4.0229      0.00000
    158       4.0455      0.00000
    159       4.0527      0.00000
    160       4.1147      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1442      1.00000
      2     -22.0492      1.00000
      3     -21.8891      1.00000
      4     -21.3369      1.00000
      5     -20.9839      1.00000
      6     -20.9456      1.00000
      7     -20.4354      1.00000
      8     -20.3930      1.00000
      9     -20.2288      1.00000
     10     -20.2075      1.00000
     11     -19.8912      1.00000
     12     -19.8237      1.00000
     13     -18.8168      1.00000
     14     -18.7458      1.00000
     15     -18.2917      1.00000
     16     -18.2387      1.00000
     17     -18.0878      1.00000
     18     -18.0678      1.00000
     19     -17.7632      1.00000
     20     -17.7214      1.00000
     21     -17.1906      1.00000
     22     -17.1716      1.00000
     23     -17.1014      1.00000
     24     -17.0656      1.00000
     25     -16.0402      1.00000
     26     -15.8248      1.00000
     27     -15.8019      1.00000
     28     -15.7661      1.00000
     29     -15.1753      1.00000
     30     -14.4927      1.00000
     31     -14.4603      1.00000
     32     -14.2193      1.00000
     33     -13.8971      1.00000
     34     -13.8919      1.00000
     35     -13.7577      1.00000
     36     -13.7374      1.00000
     37     -13.5530      1.00000
     38     -13.5049      1.00000
     39     -13.3024      1.00000
     40     -12.5666      1.00000
     41     -12.1263      1.00000
     42     -12.0678      1.00000
     43     -12.0117      1.00000
     44     -11.9535      1.00000
     45     -11.6126      1.00000
     46     -11.5898      1.00000
     47     -11.0862      1.00000
     48     -11.0534      1.00000
     49     -10.7540      1.00000
     50     -10.6656      1.00000
     51     -10.5267      1.00000
     52     -10.1507      1.00000
     53     -10.1400      1.00000
     54     -10.0981      1.00000
     55      -9.9549      1.00000
     56      -9.9497      1.00000
     57      -9.9189      1.00000
     58      -9.7388      1.00000
     59      -9.7334      1.00000
     60      -9.7020      1.00000
     61      -9.6922      1.00000
     62      -9.4300      1.00000
     63      -9.3647      1.00000
     64      -9.0869      1.00000
     65      -9.0087      1.00000
     66      -8.9761      1.00000
     67      -8.8892      1.00000
     68      -8.8131      1.00000
     69      -8.6592      1.00000
     70      -8.6368      1.00000
     71      -8.5794      1.00000
     72      -8.4797      1.00000
     73      -8.4688      1.00000
     74      -8.3995      1.00000
     75      -8.3959      1.00000
     76      -8.1855      1.00000
     77      -8.1154      1.00000
     78      -7.9788      1.00000
     79      -7.9165      1.00000
     80      -7.8484      1.00000
     81      -7.6186      1.00000
     82      -7.5319      1.00000
     83      -7.4699      1.00000
     84      -7.2531      1.00000
     85      -6.9358      1.00000
     86      -6.8590      1.00000
     87      -6.8127      1.00000
     88      -6.5746      1.00000
     89      -6.4676      1.00000
     90      -6.4217      1.00000
     91      -6.3581      1.00000
     92      -6.0522      1.00000
     93      -5.8782      1.00000
     94      -5.7541      1.00000
     95      -5.7231      1.00000
     96      -5.4773      1.00000
     97      -5.3465      1.00000
     98      -5.1815      1.00000
     99      -5.1574      1.00000
    100      -5.1557      1.00000
    101      -4.7078      1.00000
    102      -4.4404      1.00000
    103      -4.2549      1.00000
    104      -3.9951      1.00000
    105      -3.8266      1.00000
    106      -3.1574      1.00000
    107      -2.4641      0.00000
    108      -1.3800      0.00000
    109      -1.2417      0.00000
    110      -1.1471      0.00000
    111      -1.1154      0.00000
    112      -0.5653      0.00000
    113      -0.4353      0.00000
    114      -0.4309      0.00000
    115      -0.3107      0.00000
    116      -0.1913      0.00000
    117       0.0613      0.00000
    118       0.1155      0.00000
    119       0.5395      0.00000
    120       0.6831      0.00000
    121       0.8670      0.00000
    122       0.9624      0.00000
    123       1.1058      0.00000
    124       1.4906      0.00000
    125       1.6569      0.00000
    126       1.7944      0.00000
    127       1.8680      0.00000
    128       2.0865      0.00000
    129       2.1410      0.00000
    130       2.1927      0.00000
    131       2.2134      0.00000
    132       2.3393      0.00000
    133       2.3609      0.00000
    134       2.4841      0.00000
    135       2.5765      0.00000
    136       2.6636      0.00000
    137       2.8763      0.00000
    138       2.9368      0.00000
    139       2.9622      0.00000
    140       2.9922      0.00000
    141       3.0374      0.00000
    142       3.1461      0.00000
    143       3.1825      0.00000
    144       3.2420      0.00000
    145       3.2859      0.00000
    146       3.3299      0.00000
    147       3.3477      0.00000
    148       3.3770      0.00000
    149       3.4029      0.00000
    150       3.4916      0.00000
    151       3.5433      0.00000
    152       3.6269      0.00000
    153       3.6928      0.00000
    154       3.7051      0.00000
    155       3.7212      0.00000
    156       3.9164      0.00000
    157       3.9335      0.00000
    158       4.0505      0.00000
    159       4.0813      0.00000
    160       4.1934      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2501      1.00000
      2     -21.8975      1.00000
      3     -21.8239      1.00000
      4     -21.3185      1.00000
      5     -21.2798      1.00000
      6     -20.7737      1.00000
      7     -20.7048      1.00000
      8     -20.5568      1.00000
      9     -20.0249      1.00000
     10     -19.9927      1.00000
     11     -19.6524      1.00000
     12     -19.6214      1.00000
     13     -18.9454      1.00000
     14     -18.9107      1.00000
     15     -18.5858      1.00000
     16     -18.5489      1.00000
     17     -18.3940      1.00000
     18     -17.6036      1.00000
     19     -17.5724      1.00000
     20     -17.5431      1.00000
     21     -17.5102      1.00000
     22     -17.0760      1.00000
     23     -17.0296      1.00000
     24     -16.9018      1.00000
     25     -15.9470      1.00000
     26     -15.8534      1.00000
     27     -15.5350      1.00000
     28     -15.5086      1.00000
     29     -15.2110      1.00000
     30     -14.8154      1.00000
     31     -14.7634      1.00000
     32     -14.5110      1.00000
     33     -14.4693      1.00000
     34     -14.0981      1.00000
     35     -14.0949      1.00000
     36     -13.1062      1.00000
     37     -13.0314      1.00000
     38     -12.9580      1.00000
     39     -12.9511      1.00000
     40     -12.6571      1.00000
     41     -12.6289      1.00000
     42     -12.2761      1.00000
     43     -12.2491      1.00000
     44     -11.5745      1.00000
     45     -11.5551      1.00000
     46     -11.5026      1.00000
     47     -10.8795      1.00000
     48     -10.8706      1.00000
     49     -10.6822      1.00000
     50     -10.5265      1.00000
     51     -10.5214      1.00000
     52     -10.4354      1.00000
     53     -10.4176      1.00000
     54     -10.3714      1.00000
     55     -10.2894      1.00000
     56     -10.0622      1.00000
     57      -9.8338      1.00000
     58      -9.5600      1.00000
     59      -9.4860      1.00000
     60      -9.4455      1.00000
     61      -9.3576      1.00000
     62      -9.3406      1.00000
     63      -9.3092      1.00000
     64      -9.3038      1.00000
     65      -9.2077      1.00000
     66      -9.1009      1.00000
     67      -9.0699      1.00000
     68      -9.0508      1.00000
     69      -8.8520      1.00000
     70      -8.7986      1.00000
     71      -8.7792      1.00000
     72      -8.5285      1.00000
     73      -8.4980      1.00000
     74      -8.2279      1.00000
     75      -8.1311      1.00000
     76      -8.0942      1.00000
     77      -7.8073      1.00000
     78      -7.7687      1.00000
     79      -7.7409      1.00000
     80      -7.7044      1.00000
     81      -7.6363      1.00000
     82      -7.6260      1.00000
     83      -7.3882      1.00000
     84      -7.3450      1.00000
     85      -7.2177      1.00000
     86      -6.8447      1.00000
     87      -6.8217      1.00000
     88      -6.6404      1.00000
     89      -6.5304      1.00000
     90      -6.3422      1.00000
     91      -6.2737      1.00000
     92      -6.1966      1.00000
     93      -6.1333      1.00000
     94      -6.0219      1.00000
     95      -5.6366      1.00000
     96      -5.5092      1.00000
     97      -5.2988      1.00000
     98      -5.1570      1.00000
     99      -5.0404      1.00000
    100      -4.7264      1.00000
    101      -4.6862      1.00000
    102      -4.3682      1.00000
    103      -4.1850      1.00000
    104      -4.0081      1.00000
    105      -3.8261      1.00000
    106      -3.4852      1.00000
    107      -2.1655      0.00000
    108      -1.3844      0.00000
    109      -1.2364      0.00000
    110      -1.1860      0.00000
    111      -1.0150      0.00000
    112      -0.9563      0.00000
    113      -0.7981      0.00000
    114      -0.7530      0.00000
    115      -0.3679      0.00000
    116       0.2445      0.00000
    117       0.2759      0.00000
    118       0.3634      0.00000
    119       0.6953      0.00000
    120       0.8676      0.00000
    121       0.9650      0.00000
    122       1.1220      0.00000
    123       1.2308      0.00000
    124       1.4512      0.00000
    125       1.5490      0.00000
    126       1.7786      0.00000
    127       1.8494      0.00000
    128       1.8820      0.00000
    129       1.9794      0.00000
    130       2.0258      0.00000
    131       2.1950      0.00000
    132       2.2048      0.00000
    133       2.3971      0.00000
    134       2.4549      0.00000
    135       2.5512      0.00000
    136       2.6570      0.00000
    137       2.6840      0.00000
    138       2.7242      0.00000
    139       2.7654      0.00000
    140       2.8470      0.00000
    141       2.9607      0.00000
    142       3.0773      0.00000
    143       3.1904      0.00000
    144       3.2361      0.00000
    145       3.2518      0.00000
    146       3.2915      0.00000
    147       3.3294      0.00000
    148       3.4759      0.00000
    149       3.5029      0.00000
    150       3.7047      0.00000
    151       3.7174      0.00000
    152       3.7694      0.00000
    153       3.8555      0.00000
    154       3.8700      0.00000
    155       3.8970      0.00000
    156       3.9945      0.00000
    157       4.0002      0.00000
    158       4.0498      0.00000
    159       4.0616      0.00000
    160       4.0849      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3221      1.00000
      2     -21.7639      1.00000
      3     -21.5702      1.00000
      4     -21.5429      1.00000
      5     -21.2075      1.00000
      6     -21.1684      1.00000
      7     -20.9880      1.00000
      8     -20.1010      1.00000
      9     -20.0619      1.00000
     10     -19.5487      1.00000
     11     -19.5282      1.00000
     12     -19.3469      1.00000
     13     -19.0303      1.00000
     14     -18.9902      1.00000
     15     -18.9798      1.00000
     16     -18.9737      1.00000
     17     -18.2982      1.00000
     18     -18.2843      1.00000
     19     -17.9481      1.00000
     20     -17.0022      1.00000
     21     -16.9613      1.00000
     22     -16.8844      1.00000
     23     -16.8713      1.00000
     24     -16.4177      1.00000
     25     -16.3953      1.00000
     26     -15.5430      1.00000
     27     -15.5398      1.00000
     28     -15.1745      1.00000
     29     -15.1734      1.00000
     30     -15.1326      1.00000
     31     -15.0384      1.00000
     32     -15.0023      1.00000
     33     -14.6352      1.00000
     34     -14.6286      1.00000
     35     -13.6644      1.00000
     36     -13.6550      1.00000
     37     -13.1724      1.00000
     38     -12.5745      1.00000
     39     -12.5142      1.00000
     40     -12.3874      1.00000
     41     -12.3871      1.00000
     42     -12.0367      1.00000
     43     -12.0331      1.00000
     44     -11.6571      1.00000
     45     -11.6170      1.00000
     46     -11.2077      1.00000
     47     -11.1582      1.00000
     48     -10.9568      1.00000
     49     -10.9437      1.00000
     50     -10.8624      1.00000
     51     -10.8304      1.00000
     52     -10.6256      1.00000
     53     -10.1474      1.00000
     54     -10.0859      1.00000
     55     -10.0263      1.00000
     56      -9.9472      1.00000
     57      -9.6331      1.00000
     58      -9.6309      1.00000
     59      -9.6047      1.00000
     60      -9.5418      1.00000
     61      -9.5052      1.00000
     62      -9.4809      1.00000
     63      -9.2740      1.00000
     64      -9.2367      1.00000
     65      -9.2088      1.00000
     66      -9.1815      1.00000
     67      -9.0641      1.00000
     68      -9.0484      1.00000
     69      -9.0448      1.00000
     70      -8.8786      1.00000
     71      -8.8107      1.00000
     72      -8.5368      1.00000
     73      -8.5341      1.00000
     74      -8.5010      1.00000
     75      -8.0318      1.00000
     76      -7.8332      1.00000
     77      -7.8015      1.00000
     78      -7.7758      1.00000
     79      -7.7048      1.00000
     80      -7.6852      1.00000
     81      -7.4115      1.00000
     82      -7.2892      1.00000
     83      -7.2525      1.00000
     84      -7.2044      1.00000
     85      -7.0828      1.00000
     86      -7.0749      1.00000
     87      -6.9397      1.00000
     88      -6.7125      1.00000
     89      -6.6755      1.00000
     90      -6.6303      1.00000
     91      -6.5584      1.00000
     92      -6.0722      1.00000
     93      -6.0325      1.00000
     94      -6.0020      1.00000
     95      -5.9393      1.00000
     96      -5.8007      1.00000
     97      -5.1802      1.00000
     98      -4.8939      1.00000
     99      -4.7943      1.00000
    100      -4.6119      1.00000
    101      -4.5128      1.00000
    102      -4.1403      1.00000
    103      -4.0921      1.00000
    104      -3.9317      1.00000
    105      -3.9164      1.00000
    106      -3.8254      1.00000
    107      -1.7526      0.00000
    108      -1.6973      0.00000
    109      -1.4113      0.00000
    110      -1.3720      0.00000
    111      -1.2655      0.00000
    112      -1.2361      0.00000
    113      -0.6260      0.00000
    114      -0.5990      0.00000
    115      -0.1907      0.00000
    116       0.0406      0.00000
    117       0.5797      0.00000
    118       0.7397      0.00000
    119       0.8485      0.00000
    120       0.9261      0.00000
    121       1.1674      0.00000
    122       1.2088      0.00000
    123       1.2441      0.00000
    124       1.4140      0.00000
    125       1.5952      0.00000
    126       1.6309      0.00000
    127       1.6999      0.00000
    128       1.8040      0.00000
    129       1.9218      0.00000
    130       1.9393      0.00000
    131       2.1412      0.00000
    132       2.1681      0.00000
    133       2.2575      0.00000
    134       2.2949      0.00000
    135       2.5369      0.00000
    136       2.5515      0.00000
    137       2.6363      0.00000
    138       2.7574      0.00000
    139       2.8062      0.00000
    140       2.8467      0.00000
    141       2.8931      0.00000
    142       2.9406      0.00000
    143       3.0084      0.00000
    144       3.0224      0.00000
    145       3.0792      0.00000
    146       3.3025      0.00000
    147       3.3694      0.00000
    148       3.4191      0.00000
    149       3.4749      0.00000
    150       3.6020      0.00000
    151       3.6550      0.00000
    152       3.6647      0.00000
    153       3.6767      0.00000
    154       3.8861      0.00000
    155       3.9722      0.00000
    156       4.0193      0.00000
    157       4.0680      0.00000
    158       4.2327      0.00000
    159       4.2542      0.00000
    160       4.2592      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1431      1.00000
      2     -22.0508      1.00000
      3     -21.8885      1.00000
      4     -21.3378      1.00000
      5     -20.9791      1.00000
      6     -20.9496      1.00000
      7     -20.4303      1.00000
      8     -20.3983      1.00000
      9     -20.2183      1.00000
     10     -20.2163      1.00000
     11     -19.8899      1.00000
     12     -19.8265      1.00000
     13     -18.8197      1.00000
     14     -18.7493      1.00000
     15     -18.2681      1.00000
     16     -18.2534      1.00000
     17     -18.0823      1.00000
     18     -18.0756      1.00000
     19     -17.7481      1.00000
     20     -17.7318      1.00000
     21     -17.1966      1.00000
     22     -17.1733      1.00000
     23     -17.0904      1.00000
     24     -17.0702      1.00000
     25     -16.0560      1.00000
     26     -15.8108      1.00000
     27     -15.8012      1.00000
     28     -15.7794      1.00000
     29     -15.1608      1.00000
     30     -14.4877      1.00000
     31     -14.4662      1.00000
     32     -14.2058      1.00000
     33     -13.9179      1.00000
     34     -13.8885      1.00000
     35     -13.7601      1.00000
     36     -13.7404      1.00000
     37     -13.5384      1.00000
     38     -13.5119      1.00000
     39     -13.3038      1.00000
     40     -12.5787      1.00000
     41     -12.1032      1.00000
     42     -12.0785      1.00000
     43     -12.0008      1.00000
     44     -11.9532      1.00000
     45     -11.6068      1.00000
     46     -11.5991      1.00000
     47     -11.0861      1.00000
     48     -11.0628      1.00000
     49     -10.7341      1.00000
     50     -10.6667      1.00000
     51     -10.5591      1.00000
     52     -10.1413      1.00000
     53     -10.1368      1.00000
     54     -10.1029      1.00000
     55      -9.9676      1.00000
     56      -9.9272      1.00000
     57      -9.9232      1.00000
     58      -9.7523      1.00000
     59      -9.7307      1.00000
     60      -9.6987      1.00000
     61      -9.6961      1.00000
     62      -9.4022      1.00000
     63      -9.3913      1.00000
     64      -9.0701      1.00000
     65      -8.9834      1.00000
     66      -8.9833      1.00000
     67      -8.9072      1.00000
     68      -8.8140      1.00000
     69      -8.6510      1.00000
     70      -8.6352      1.00000
     71      -8.5491      1.00000
     72      -8.5037      1.00000
     73      -8.4847      1.00000
     74      -8.3957      1.00000
     75      -8.3840      1.00000
     76      -8.2112      1.00000
     77      -8.1032      1.00000
     78      -8.0085      1.00000
     79      -7.9032      1.00000
     80      -7.8445      1.00000
     81      -7.6223      1.00000
     82      -7.5352      1.00000
     83      -7.4582      1.00000
     84      -7.2501      1.00000
     85      -6.9431      1.00000
     86      -6.8702      1.00000
     87      -6.8108      1.00000
     88      -6.4787      1.00000
     89      -6.4703      1.00000
     90      -6.4109      1.00000
     91      -6.3615      1.00000
     92      -6.1895      1.00000
     93      -5.8591      1.00000
     94      -5.7388      1.00000
     95      -5.7125      1.00000
     96      -5.5240      1.00000
     97      -5.3297      1.00000
     98      -5.1735      1.00000
     99      -5.1685      1.00000
    100      -5.1352      1.00000
    101      -4.6964      1.00000
    102      -4.3488      1.00000
    103      -4.2797      1.00000
    104      -4.0278      1.00000
    105      -3.8276      1.00000
    106      -3.2342      1.00000
    107      -2.4064      0.00000
    108      -1.3465      0.00000
    109      -1.2443      0.00000
    110      -1.1546      0.00000
    111      -1.1091      0.00000
    112      -0.5845      0.00000
    113      -0.5221      0.00000
    114      -0.4347      0.00000
    115      -0.2756      0.00000
    116      -0.0717      0.00000
    117      -0.0119      0.00000
    118       0.0592      0.00000
    119       0.5826      0.00000
    120       0.7098      0.00000
    121       0.8058      0.00000
    122       0.9378      0.00000
    123       1.1774      0.00000
    124       1.5025      0.00000
    125       1.6158      0.00000
    126       1.8501      0.00000
    127       1.9993      0.00000
    128       2.0467      0.00000
    129       2.1059      0.00000
    130       2.1512      0.00000
    131       2.2637      0.00000
    132       2.2841      0.00000
    133       2.3483      0.00000
    134       2.4598      0.00000
    135       2.6068      0.00000
    136       2.6958      0.00000
    137       2.8130      0.00000
    138       2.9145      0.00000
    139       2.9415      0.00000
    140       3.0124      0.00000
    141       3.0455      0.00000
    142       3.1523      0.00000
    143       3.1638      0.00000
    144       3.2229      0.00000
    145       3.2960      0.00000
    146       3.3067      0.00000
    147       3.3507      0.00000
    148       3.3696      0.00000
    149       3.4116      0.00000
    150       3.4365      0.00000
    151       3.5539      0.00000
    152       3.6067      0.00000
    153       3.7035      0.00000
    154       3.7208      0.00000
    155       3.8407      0.00000
    156       3.8997      0.00000
    157       3.9276      0.00000
    158       3.9568      0.00000
    159       4.1390      0.00000
    160       4.1748      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2160      1.00000
      2     -22.0110      1.00000
      3     -21.6489      1.00000
      4     -21.6175      1.00000
      5     -20.9125      1.00000
      6     -20.8715      1.00000
      7     -20.5417      1.00000
      8     -20.5091      1.00000
      9     -20.5021      1.00000
     10     -19.9647      1.00000
     11     -19.4434      1.00000
     12     -19.4211      1.00000
     13     -19.2426      1.00000
     14     -19.2351      1.00000
     15     -18.3784      1.00000
     16     -18.3431      1.00000
     17     -17.8612      1.00000
     18     -17.8447      1.00000
     19     -17.6935      1.00000
     20     -17.6573      1.00000
     21     -17.3745      1.00000
     22     -17.3599      1.00000
     23     -17.2691      1.00000
     24     -16.4153      1.00000
     25     -16.3922      1.00000
     26     -15.9067      1.00000
     27     -15.3457      1.00000
     28     -15.3411      1.00000
     29     -15.0332      1.00000
     30     -15.0238      1.00000
     31     -14.7779      1.00000
     32     -14.7762      1.00000
     33     -14.2395      1.00000
     34     -14.1883      1.00000
     35     -13.3894      1.00000
     36     -13.3345      1.00000
     37     -13.1128      1.00000
     38     -13.1052      1.00000
     39     -12.9203      1.00000
     40     -12.9144      1.00000
     41     -12.5470      1.00000
     42     -12.5397      1.00000
     43     -12.1349      1.00000
     44     -11.5160      1.00000
     45     -11.4718      1.00000
     46     -11.2469      1.00000
     47     -11.2156      1.00000
     48     -11.0875      1.00000
     49     -10.7064      1.00000
     50     -10.5968      1.00000
     51     -10.5104      1.00000
     52     -10.2531      1.00000
     53     -10.2492      1.00000
     54     -10.1231      1.00000
     55     -10.0554      1.00000
     56     -10.0411      1.00000
     57      -9.7863      1.00000
     58      -9.6886      1.00000
     59      -9.6753      1.00000
     60      -9.6393      1.00000
     61      -9.6297      1.00000
     62      -9.5878      1.00000
     63      -9.2972      1.00000
     64      -9.2852      1.00000
     65      -9.2552      1.00000
     66      -9.0658      1.00000
     67      -8.8961      1.00000
     68      -8.8857      1.00000
     69      -8.7204      1.00000
     70      -8.5825      1.00000
     71      -8.5282      1.00000
     72      -8.3524      1.00000
     73      -8.3062      1.00000
     74      -8.2453      1.00000
     75      -8.2396      1.00000
     76      -8.1956      1.00000
     77      -8.1836      1.00000
     78      -8.1711      1.00000
     79      -8.1090      1.00000
     80      -7.6913      1.00000
     81      -7.4155      1.00000
     82      -7.3448      1.00000
     83      -7.2593      1.00000
     84      -7.1696      1.00000
     85      -7.1120      1.00000
     86      -7.0048      1.00000
     87      -6.9056      1.00000
     88      -6.8483      1.00000
     89      -6.5437      1.00000
     90      -6.4994      1.00000
     91      -6.2118      1.00000
     92      -6.2032      1.00000
     93      -5.8959      1.00000
     94      -5.6741      1.00000
     95      -5.6082      1.00000
     96      -5.5816      1.00000
     97      -5.2545      1.00000
     98      -5.2324      1.00000
     99      -5.1659      1.00000
    100      -5.1357      1.00000
    101      -4.5990      1.00000
    102      -4.2498      1.00000
    103      -4.0443      1.00000
    104      -3.8857      1.00000
    105      -3.8404      1.00000
    106      -3.8012      1.00000
    107      -1.8086      0.00000
    108      -1.7820      0.00000
    109      -1.2265      0.00000
    110      -1.1760      0.00000
    111      -0.9748      0.00000
    112      -0.7356      0.00000
    113      -0.6509      0.00000
    114      -0.5948      0.00000
    115      -0.5499      0.00000
    116      -0.1551      0.00000
    117       0.1754      0.00000
    118       0.2878      0.00000
    119       0.7014      0.00000
    120       0.9439      0.00000
    121       1.1679      0.00000
    122       1.2769      0.00000
    123       1.3402      0.00000
    124       1.5056      0.00000
    125       1.6039      0.00000
    126       1.6249      0.00000
    127       1.6901      0.00000
    128       1.7715      0.00000
    129       1.8537      0.00000
    130       2.0753      0.00000
    131       2.1604      0.00000
    132       2.3188      0.00000
    133       2.3865      0.00000
    134       2.4222      0.00000
    135       2.5488      0.00000
    136       2.6196      0.00000
    137       2.6850      0.00000
    138       2.7467      0.00000
    139       2.8122      0.00000
    140       2.9060      0.00000
    141       3.0496      0.00000
    142       3.0572      0.00000
    143       3.1764      0.00000
    144       3.2754      0.00000
    145       3.3731      0.00000
    146       3.4076      0.00000
    147       3.4554      0.00000
    148       3.5457      0.00000
    149       3.5696      0.00000
    150       3.6292      0.00000
    151       3.6583      0.00000
    152       3.7007      0.00000
    153       3.7840      0.00000
    154       3.7976      0.00000
    155       3.8179      0.00000
    156       3.8867      0.00000
    157       3.9016      0.00000
    158       3.9713      0.00000
    159       4.1860      0.00000
    160       4.2243      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0388   -7.2578    3.9827   -1.1319   -0.1850   17.3730    0.4901   -0.8146    0.7707   -0.4768
x    -3.1260   -0.0253   -0.0209   -0.0260    0.0906   -3.0536    0.0304   -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   204.0388    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     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    0.0181
y     0.0231   -3.2431   -0.1789    0.1693   -2.4093   -0.6651
z   204.0388    1.7405    0.2932    0.0880    0.0005    0.0706   -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    0.0988    0.0006   -0.0010   -0.0001   -0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0012   -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  -16.6087
z     0.1441    0.2353   -0.0294    0.0576   -0.0952    0.0006
 total charge-density along one line
x   212.0000  -10.0891    5.9297   -1.9410   -0.4206   19.2927   -0.6596    0.2076    0.0659   -0.1063
x    -2.7059   -0.0090    0.0014   -0.0448    0.0965   -2.3450    0.0477   -0.0343    0.0117    0.0024
x    -0.0854   -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  -10.0891    5.9297   -1.9410   -0.4206   19.2927   -0.6596    0.2076    0.0659   -0.1063
y    -2.7059   -0.0090    0.0014   -0.0448    0.0965   -2.3450    0.0477   -0.0343    0.0117    0.0024
y    -0.0854   -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 -205.3314  188.9308 -170.2009  154.0314 -140.2614  126.3174 -110.8474   94.6069  -78.9718
z    64.6337  -51.7185   40.4813  -31.4020   24.6466  -19.7125   15.7402  -12.1371    8.8655   -6.1915
z     4.2597   -2.9291    1.9398   -1.1409    0.5348   -0.1510   -0.0623    0.2136   -0.3678    0.5016
z    -0.5565    0.5184   -0.4350    0.3669   -0.3346    0.3161   -0.2844    0.2369   -0.1901    0.1569
z    -0.1349    0.1146   -0.0921    0.0715   -0.0577    0.0500   -0.0441    0.0370   -0.0295    0.0240
z    -0.0208    0.0186   -0.0160    0.0129   -0.0103    0.0084   -0.0068    0.0053   -0.0039    0.0028
z    -0.0020    0.0012   -0.0004   -0.0002    0.0004   -0.0004    0.0004   -0.0006    0.0007   -0.0007
z     0.0004   -0.0002    0.0001    0.0000    0.0000    0.0001   -0.0002    0.0003   -0.0003    0.0003
z    -0.0002    0.0002   -0.0002    0.0002   -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0000   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.939   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   0.002
  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
-10.939   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   0.002
  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  -0.147   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   0.044   0.000   0.353   0.000  -0.026  -0.233  -0.043   0.000   0.096   0.000   0.000
  0.000  -0.147   0.000   1.756   0.000   0.000   0.259   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   0.259   0.000   0.000   0.328   0.000   0.106   0.000   0.000   0.000   0.057   0.000   0.065  -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   0.088   0.000   0.000
  0.000   0.259   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  -0.006
 -0.014   0.000  -0.026   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   0.010   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   0.191   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   0.088   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   0.065   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   0.541
  3        0.514   0.028   0.000   0.541
  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   1.783   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   1.783   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  89.442   8.026 142.301
 


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


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


    CHARGE:  VPU time  113.00: CPU time   57.21
    FORLOC:  VPU time    1.26: CPU time    1.25
    FORNL :  VPU time  440.42: CPU time  220.97
    STRESS:  VPU time 1357.75: CPU time  682.80
    FORCOR:  VPU time    8.63: CPU time    8.64
    FORHAR:  VPU time    2.29: CPU time    2.29
    MIXING:  VPU time    0.16: CPU time    0.16
 d Force = 0.5470008E-05[ 0.435E-05, 0.659E-05]  d Energy = 0.6364062E-06 0.483E-05
 d Force = 0.6136878E+00[ 0.614E+00, 0.614E+00]  d Ewald  =-0.9368518E+00 0.155E+01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.645085 eV

  energy  without entropy=     -471.645085  energy(sigma->0) =     -471.645085
 

  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    40734.46  40750.59 -47434.75     13.97      0.00      0.00
  Hartree  40200.28  40203.46 -39453.28      2.76      0.00      0.00
  E(xc)     -779.76   -779.56   -807.28      0.17      0.00      0.00
  Local   -83227.91 -83241.06  84205.40    -11.39      0.00      0.00
  n-local   -215.86   -215.75   -203.93     -0.16      0.00      0.00
  augment     22.09     20.53     17.37     -1.36      0.00      0.00
  Kinetic   3168.95   3171.58   3582.31     -6.19      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.03     -0.05     -0.21     -0.02      0.00      0.00
  in kB       -0.02     -0.03     -0.13     -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
    12.346694875  0.001725362  0.000000000     0.080986804  0.046742733  0.000000000
    -6.171859873 10.693409919  0.000000000    -0.000013067  0.093507998  0.000000000
     0.000000000  0.000000000 19.979426146     0.000000000  0.000000000  0.050051488

  length of vectors
    12.346694995 12.346694698 19.979426146     0.093507997  0.093507999  0.050051488


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.418E-05 -.457E-04 -.960E+03   0.432E-05 -.274E-04 0.968E+03   0.142E-23 -.846E-21 -.788E+01   -.100E-06 0.456E-07 0.122E-01
   -.175E+02 -.304E+02 -.136E+03   0.184E+02 0.318E+02 0.138E+03   -.827E+00 -.143E+01 -.258E+01   -.426E-03 -.740E-03 -.922E-03
   0.175E+02 0.304E+02 -.136E+03   -.184E+02 -.318E+02 0.138E+03   0.827E+00 0.143E+01 -.258E+01   0.426E-03 0.740E-03 -.922E-03
   -.195E+01 0.113E+01 0.179E+02   0.196E+01 -.113E+01 -.179E+02   -.938E-02 0.542E-02 -.500E-02   -.183E-03 0.102E-03 0.114E-02
   0.577E+01 0.686E+01 0.206E+02   -.578E+01 -.689E+01 -.205E+02   0.710E-02 0.338E-01 -.157E-01   0.268E-03 -.706E-03 0.174E-02
   0.112E+02 0.507E+01 0.186E+02   -.112E+02 -.508E+01 -.185E+02   0.270E-01 0.580E-02 -.544E-01   -.282E-03 -.496E-03 -.590E-03
   0.453E+01 -.100E+01 0.163E+02   -.455E+01 0.102E+01 -.163E+02   0.192E-01 -.185E-01 -.344E-02   -.689E-03 0.988E-04 -.112E-04
   -.288E+01 -.240E+01 0.153E+02   0.289E+01 0.241E+01 -.153E+02   -.157E-01 -.167E-01 0.184E-02   -.565E-03 0.971E-04 -.948E-03
   0.638E+00 0.369E+01 0.153E+02   -.644E+00 -.371E+01 -.153E+02   0.662E-02 0.219E-01 0.184E-02   -.372E-03 0.435E-03 -.952E-03
   0.273E+01 0.182E+02 0.249E+02   -.274E+01 -.183E+02 -.249E+02   0.102E-01 0.109E+00 -.619E-02   -.198E-03 0.431E-04 -.473E-03
   0.214E+02 0.226E+02 0.393E+02   -.215E+02 -.228E+02 -.393E+02   0.120E+00 0.229E+00 -.201E-01   -.311E-03 -.131E-02 -.215E-02
   0.265E+02 -.448E+01 0.264E+02   -.267E+02 0.459E+01 -.264E+02   0.234E+00 -.120E+00 -.576E-01   -.499E-03 -.839E-03 -.874E-03
   0.917E+01 -.529E+01 0.155E+02   -.919E+01 0.531E+01 -.155E+02   0.166E-01 -.959E-02 0.422E-02   -.168E-03 0.907E-04 -.295E-03
   0.313E+01 -.342E+01 0.163E+02   -.316E+01 0.343E+01 -.163E+02   0.256E-01 -.735E-02 -.344E-02   -.432E-03 0.543E-03 -.198E-04
   -.604E+01 0.131E+02 0.199E+02   0.605E+01 -.132E+02 -.199E+02   -.496E-02 0.747E-01 -.870E-02   -.441E-03 0.194E-03 -.324E-03
   -.122E+02 0.335E+02 0.453E+02   0.123E+02 -.341E+02 -.456E+02   -.886E-01 0.678E+00 0.343E+00   0.439E-03 -.150E-02 -.609E-03
   0.264E+02 -.152E+02 0.689E+02   -.273E+02 0.158E+02 -.710E+02   0.970E+00 -.560E+00 0.210E+01   0.238E-03 -.140E-03 0.186E-02
   0.171E+02 -.207E+02 0.264E+02   -.173E+02 0.208E+02 -.264E+02   0.221E+00 -.143E+00 -.576E-01   0.475E-03 0.844E-03 -.879E-03
   0.122E+01 -.123E+02 0.186E+02   -.122E+01 0.123E+02 -.185E+02   0.849E-02 -.263E-01 -.544E-01   0.291E-03 0.491E-03 -.596E-03
   -.386E+01 0.155E+01 0.146E+02   0.386E+01 -.155E+01 -.145E+02   -.747E-02 0.410E-02 -.392E-01   0.140E-04 -.239E-03 -.187E-03
   -.182E+02 0.105E+02 0.205E+02   0.182E+02 -.105E+02 -.204E+02   -.673E-01 0.388E-01 -.129E+00   0.647E-03 -.370E-03 -.927E-03
   -.351E+02 -.613E+01 0.453E+02   0.357E+02 0.638E+01 -.456E+02   -.631E+00 -.262E+00 0.343E+00   0.152E-02 0.367E-03 -.606E-03
   -.886E+01 -.298E+02 0.393E+02   0.900E+01 0.300E+02 -.393E+02   -.138E+00 -.218E+00 -.201E-01   0.982E-03 0.920E-03 -.215E-02
   -.305E+01 -.843E+01 0.206E+02   0.308E+01 0.845E+01 -.205E+02   -.257E-01 -.230E-01 -.157E-01   0.747E-03 0.119E-03 0.174E-02
   0.125E+01 -.723E+00 0.152E+02   -.125E+01 0.722E+00 -.152E+02   -.217E-02 0.125E-02 -.331E-01   0.328E-03 -.187E-03 -.110E-02
   -.327E+01 0.257E+01 0.146E+02   0.327E+01 -.257E+01 -.145E+02   -.728E-02 0.442E-02 -.392E-01   0.216E-03 0.112E-03 -.182E-03
   -.144E+02 -.134E+01 0.199E+02   0.145E+02 0.137E+01 -.199E+02   -.671E-01 -.330E-01 -.870E-02   -.387E-03 0.283E-03 -.317E-03
   -.144E+02 -.115E+02 0.249E+02   0.145E+02 0.115E+02 -.249E+02   -.893E-01 -.634E-01 -.619E-02   -.134E-03 0.145E-03 -.470E-03
   0.305E+01 0.843E+01 0.206E+02   -.308E+01 -.845E+01 -.205E+02   0.257E-01 0.230E-01 -.157E-01   -.747E-03 -.119E-03 0.174E-02
   0.144E+02 0.115E+02 0.249E+02   -.145E+02 -.115E+02 -.249E+02   0.893E-01 0.634E-01 -.619E-02   0.134E-03 -.145E-03 -.470E-03
   0.144E+02 0.134E+01 0.199E+02   -.145E+02 -.137E+01 -.199E+02   0.671E-01 0.330E-01 -.870E-02   0.387E-03 -.283E-03 -.316E-03
   0.327E+01 -.257E+01 0.146E+02   -.327E+01 0.257E+01 -.145E+02   0.728E-02 -.442E-02 -.392E-01   -.216E-03 -.112E-03 -.182E-03
   -.125E+01 0.724E+00 0.152E+02   0.125E+01 -.722E+00 -.152E+02   0.217E-02 -.125E-02 -.331E-01   -.328E-03 0.187E-03 -.110E-02
   -.122E+01 0.123E+02 0.186E+02   0.122E+01 -.123E+02 -.185E+02   -.849E-02 0.263E-01 -.544E-01   -.291E-03 -.491E-03 -.596E-03
   0.886E+01 0.298E+02 0.393E+02   -.900E+01 -.300E+02 -.393E+02   0.138E+00 0.218E+00 -.201E-01   -.982E-03 -.920E-03 -.215E-02
   0.351E+02 0.613E+01 0.453E+02   -.357E+02 -.639E+01 -.456E+02   0.631E+00 0.262E+00 0.343E+00   -.152E-02 -.367E-03 -.606E-03
   0.182E+02 -.105E+02 0.205E+02   -.182E+02 0.105E+02 -.204E+02   0.673E-01 -.388E-01 -.129E+00   -.647E-03 0.370E-03 -.927E-03
   0.386E+01 -.155E+01 0.146E+02   -.386E+01 0.155E+01 -.145E+02   0.747E-02 -.410E-02 -.392E-01   -.140E-04 0.239E-03 -.187E-03
   -.313E+01 0.342E+01 0.163E+02   0.316E+01 -.343E+01 -.163E+02   -.256E-01 0.735E-02 -.344E-02   0.432E-03 -.543E-03 -.198E-04
   -.171E+02 0.207E+02 0.264E+02   0.173E+02 -.208E+02 -.264E+02   -.221E+00 0.143E+00 -.576E-01   -.475E-03 -.844E-03 -.879E-03
   -.264E+02 0.152E+02 0.689E+02   0.273E+02 -.158E+02 -.710E+02   -.970E+00 0.560E+00 0.210E+01   -.238E-03 0.140E-03 0.186E-02
   0.122E+02 -.335E+02 0.453E+02   -.123E+02 0.341E+02 -.456E+02   0.886E-01 -.678E+00 0.343E+00   -.439E-03 0.150E-02 -.609E-03
   0.604E+01 -.131E+02 0.199E+02   -.605E+01 0.132E+02 -.199E+02   0.496E-02 -.747E-01 -.870E-02   0.441E-03 -.194E-03 -.324E-03
   -.639E+00 -.369E+01 0.153E+02   0.644E+00 0.371E+01 -.153E+02   -.662E-02 -.219E-01 0.184E-02   0.372E-03 -.435E-03 -.952E-03
   -.917E+01 0.529E+01 0.155E+02   0.919E+01 -.531E+01 -.155E+02   -.166E-01 0.959E-02 0.422E-02   0.168E-03 -.907E-04 -.295E-03
   -.265E+02 0.448E+01 0.264E+02   0.267E+02 -.459E+01 -.264E+02   -.234E+00 0.120E+00 -.576E-01   0.499E-03 0.839E-03 -.874E-03
   -.214E+02 -.226E+02 0.393E+02   0.215E+02 0.228E+02 -.393E+02   -.120E+00 -.229E+00 -.201E-01   0.311E-03 0.131E-02 -.215E-02
   -.273E+01 -.182E+02 0.249E+02   0.274E+01 0.183E+02 -.249E+02   -.102E-01 -.109E+00 -.619E-02   0.198E-03 -.431E-04 -.473E-03
   0.195E+01 -.113E+01 0.179E+02   -.196E+01 0.113E+01 -.179E+02   0.938E-02 -.542E-02 -.500E-02   0.183E-03 -.102E-03 0.114E-02
   0.288E+01 0.240E+01 0.153E+02   -.289E+01 -.241E+01 -.153E+02   0.157E-01 0.167E-01 0.184E-02   0.565E-03 -.971E-04 -.948E-03
   -.453E+01 0.100E+01 0.163E+02   0.455E+01 -.102E+01 -.163E+02   -.192E-01 0.185E-01 -.344E-02   0.689E-03 -.988E-04 -.112E-04
   -.112E+02 -.507E+01 0.186E+02   0.112E+02 0.508E+01 -.185E+02   -.270E-01 -.580E-02 -.544E-01   0.282E-03 0.496E-03 -.590E-03
   -.577E+01 -.686E+01 0.206E+02   0.578E+01 0.689E+01 -.205E+02   -.710E-02 -.338E-01 -.157E-01   -.268E-03 0.706E-03 0.174E-02
 -----------------------------------------------------------------------------------------------
   -.183E-02 0.314E-03 0.861E+01   -.915E-13 -.853E-13 0.000E+00   -.501E-15 -.180E-15 -.860E+01   -.125E-06 0.514E-07 -.599E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85285      6.06035     12.32385         0.000000      0.000000      0.037662
      2.26066      6.76670     13.64363        -0.000238     -0.000411     -0.009540
      1.44503      5.35399     13.64363         0.000238      0.000411     -0.009540
      0.00059     -0.00034      9.93732        -0.000691      0.000399     -0.003675
     11.11151      2.13925      9.93954         0.002204      0.001027     -0.000233
      9.87605      4.27877      9.95413         0.003698     -0.007776     -0.000396
      8.64288      6.41786      9.95433        -0.001891     -0.003315     -0.001468
     -4.93582      8.55483      9.94793        -0.003910     -0.002825     -0.000444
      2.47008     -0.00115      9.94793         0.000491      0.004799     -0.000444
      1.23468      2.13603      9.95357         0.003041     -0.005478      0.000534
     -0.00400      4.27457      9.98498         0.007294     -0.001082     -0.002321
     -1.23825      6.41556      9.99157        -0.000936     -0.002105     -0.000766
     -2.46688      8.55434      9.96249        -0.004615      0.002665     -0.001095
      4.93825      0.00125      9.95433         0.001926      0.003295     -0.001468
      3.70466      2.13641      9.96272         0.003006      0.002402      0.001229
      2.47054      4.26287     10.02990         0.004408     -0.003081     -0.002473
      1.22836      6.42089     10.10169         0.005802     -0.003350      0.010186
     -0.00032      8.55971      9.99157         0.001355      0.001863     -0.000766
      7.40734      0.00284      9.95413         0.008583      0.000686     -0.000396
      6.17308      2.13993      9.95460        -0.001216      0.003366      0.001333
      4.94017      4.27788      9.98556        -0.006140      0.003545     -0.002241
      3.71835      6.42415     10.02990         0.004872     -0.002277     -0.002473
      2.47095      8.56131      9.98498         0.004584     -0.005776     -0.002321
      9.87795      0.00267      9.93954         0.000212     -0.002422     -0.000233
      8.64216      2.14054      9.94335         0.000158     -0.000091     -0.002456
      7.40815      4.27913      9.95460        -0.003523     -0.000630      0.001333
      6.17698      6.41860      9.96272        -0.000577     -0.003804      0.001229
      4.94232      8.55785      9.95357         0.006265      0.000106      0.000534
     -0.00039      1.42462      9.93954        -0.000212      0.002422     -0.000233
     -1.23663      3.56284      9.95357        -0.006265     -0.000106      0.000534
     -2.47128      5.70209      9.96272         0.000577      0.003804      0.001229
     -3.70245      7.84156      9.95460         0.003523      0.000630      0.001333
     -4.93646      9.98015      9.94335        -0.000158      0.000091     -0.002456
      2.47021      1.42445      9.95413        -0.008583     -0.000686     -0.000396
      1.23475      3.55939      9.98498        -0.004584      0.005776     -0.002321
     -0.01266      5.69655     10.02990        -0.004872      0.002277     -0.002473
     -1.23448      7.84281      9.98556         0.006140     -0.003545     -0.002241
     -2.46738      9.98077      9.95460         0.001216     -0.003366      0.001333
      4.93930      1.42603      9.95433        -0.001926     -0.003295     -0.001468
      3.70602      3.56099      9.99157        -0.001355     -0.001863     -0.000766
      2.47733      5.69980     10.10169        -0.005802      0.003350      0.010186
      1.23515      7.85782     10.02990        -0.004408      0.003081     -0.002473
      0.00103      9.98428      9.96272        -0.003006     -0.002402      0.001229
      7.40747      1.42843      9.94793        -0.000491     -0.004799     -0.000444
      6.17257      3.56635      9.96249         0.004615     -0.002665     -0.001095
      4.94394      5.70514      9.99157         0.000936      0.002105     -0.000766
      3.70969      7.84612      9.98498        -0.007294      0.001082     -0.002321
      2.47101      9.98466      9.95357        -0.003041      0.005478      0.000534
      9.87696      1.42762      9.93732         0.000691     -0.000399     -0.003675
      8.64151      3.56586      9.94793         0.003910      0.002825     -0.000444
      7.40951      5.70456      9.95433         0.001891      0.003315     -0.001468
      6.17634      7.84365      9.95413        -0.003698      0.007776     -0.000396
      4.94088      9.98317      9.93954        -0.002204     -0.001027     -0.000233
 -----------------------------------------------------------------------------------
    total drift:                               -0.001832      0.000314      0.008864


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




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


    WAVPRE:  VPU time    1.96: CPU time    1.95
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.36: CPU time    1.36
    ORTHCH:  VPU time  181.18: CPU time   90.76
     LOOP+:  VPU time 5424.12: CPU time 2786.66


----------------------------------------- Iteration   18(   1)  ---------------------------------------


    POTLOK:  VPU time    9.08: CPU time    9.03
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1734.94: CPU time  894.33
 BZINTS: Fermi energy: -3.081478;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  115.15: CPU time   58.16
    MIXING:  VPU time    0.15: CPU time    0.15
    ------------------------------------------
      LOOP:  VPU time 1859.74: CPU time  962.04

 eigenvalue-minimisations  :  5664
 total energy-change (2. order) :-0.4716451E+03  (-0.5201463E-03)
 number of electron  212.0000066 magnetization    0.0000000
 augmentation part     7.9611179 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.13529E-02    rms(broyden)= 0.13526E-02
  rms(prec ) = 0.14547E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34048.89821161
  -1/2 Hartree   DENC   =    -40948.86593829
  -V(xc)+E(xc)   XCENC  =       726.62370005
  PAW double counting   =      4093.17064331    -4131.54702128
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.36456647
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64511747 eV

  energy without entropy =     -471.64511747  energy(sigma->0) =     -471.64511747


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




----------------------------------------- Iteration   18(   2)  ---------------------------------------


    POTLOK:  VPU time    9.13: CPU time    9.13
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1463.35: CPU time  757.22
 BZINTS: Fermi energy: -3.082259;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1472.90: CPU time  766.72

 eigenvalue-minimisations  :  4464
 total energy-change (2. order) :-0.4765541E-05  (-0.8428835E-05)
 number of electron  212.0000066 magnetization    0.0000000
 augmentation part     7.9611179 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34048.89821161
  -1/2 Hartree   DENC   =    -40948.85094328
  -V(xc)+E(xc)   XCENC  =       726.62383652
  PAW double counting   =      4093.14480457    -4131.52070349
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.38018177
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64512224 eV

  energy without entropy =     -471.64512224  energy(sigma->0) =     -471.64512224


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




 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 -58.5348       2 -39.9789       3 -39.9789       4 -58.2445       5 -58.2493
       6 -58.2565       7 -58.2472       8 -58.2452       9 -58.2452      10 -58.2614
      11 -58.3160      12 -58.2929      13 -58.2502      14 -58.2472      15 -58.2580
      16 -58.4379      17 -58.7312      18 -58.2929      19 -58.2565      20 -58.2506
      21 -58.2776      22 -58.4380      23 -58.3160      24 -58.2493      25 -58.2440
      26 -58.2506      27 -58.2580      28 -58.2614      29 -58.2491      30 -58.2613
      31 -58.2578      32 -58.2505      33 -58.2439      34 -58.2564      35 -58.3159
      36 -58.4379      37 -58.2775      38 -58.2505      39 -58.2471      40 -58.2928
      41 -58.7311      42 -58.4379      43 -58.2579      44 -58.2451      45 -58.2501
      46 -58.2928      47 -58.3159      48 -58.2613      49 -58.2444      50 -58.2451
      51 -58.2471      52 -58.2564      53 -58.2492
 
 
 
 E-fermi :  -3.0823     XC(G=0):  -2.3498     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     -22.3580      1.00000
      2     -21.5378      1.00000
      3     -21.4086      1.00000
      4     -21.4074      1.00000
      5     -21.3764      1.00000
      6     -21.3672      1.00000
      7     -21.3603      1.00000
      8     -19.6472      1.00000
      9     -19.5736      1.00000
     10     -19.5665      1.00000
     11     -19.5598      1.00000
     12     -19.5415      1.00000
     13     -19.5389      1.00000
     14     -18.7290      1.00000
     15     -18.6808      1.00000
     16     -18.6734      1.00000
     17     -18.6600      1.00000
     18     -18.6445      1.00000
     19     -18.6428      1.00000
     20     -16.5866      1.00000
     21     -16.5274      1.00000
     22     -16.5249      1.00000
     23     -16.5120      1.00000
     24     -16.4875      1.00000
     25     -16.4860      1.00000
     26     -15.5595      1.00000
     27     -15.5275      1.00000
     28     -15.5267      1.00000
     29     -15.5011      1.00000
     30     -15.4959      1.00000
     31     -15.4901      1.00000
     32     -14.2069      1.00000
     33     -14.1813      1.00000
     34     -14.1684      1.00000
     35     -14.1661      1.00000
     36     -14.1608      1.00000
     37     -14.1496      1.00000
     38     -11.8836      1.00000
     39     -11.8085      1.00000
     40     -11.7928      1.00000
     41     -11.7925      1.00000
     42     -11.7892      1.00000
     43     -11.7836      1.00000
     44     -11.7058      1.00000
     45     -11.6989      1.00000
     46     -11.6736      1.00000
     47     -11.6591      1.00000
     48     -11.6585      1.00000
     49     -11.6516      1.00000
     50     -10.6731      1.00000
     51     -10.3298      1.00000
     52     -10.3218      1.00000
     53     -10.3064      1.00000
     54     -10.3049      1.00000
     55     -10.2920      1.00000
     56     -10.2791      1.00000
     57      -9.9266      1.00000
     58      -9.3738      1.00000
     59      -9.3603      1.00000
     60      -9.3015      1.00000
     61      -9.2932      1.00000
     62      -9.2867      1.00000
     63      -9.0923      1.00000
     64      -9.0553      1.00000
     65      -9.0499      1.00000
     66      -9.0276      1.00000
     67      -9.0075      1.00000
     68      -9.0023      1.00000
     69      -9.0011      1.00000
     70      -8.9960      1.00000
     71      -8.9923      1.00000
     72      -8.9728      1.00000
     73      -8.9654      1.00000
     74      -8.9545      1.00000
     75      -8.4963      1.00000
     76      -7.5125      1.00000
     77      -7.4110      1.00000
     78      -7.4109      1.00000
     79      -7.3997      1.00000
     80      -7.3841      1.00000
     81      -7.3645      1.00000
     82      -7.3418      1.00000
     83      -7.3112      1.00000
     84      -7.2692      1.00000
     85      -7.2073      1.00000
     86      -7.1809      1.00000
     87      -7.1808      1.00000
     88      -7.0751      1.00000
     89      -6.5082      1.00000
     90      -6.4615      1.00000
     91      -6.3556      1.00000
     92      -6.2945      1.00000
     93      -6.2886      1.00000
     94      -6.2875      1.00000
     95      -5.8971      1.00000
     96      -5.8855      1.00000
     97      -5.0438      1.00000
     98      -4.9350      1.00000
     99      -4.5377      1.00000
    100      -4.3413      1.00000
    101      -4.3185      1.00000
    102      -4.3177      1.00000
    103      -4.1164      1.00000
    104      -3.9118      1.00000
    105      -3.9020      1.00000
    106      -3.8297      1.00000
    107      -1.6819      0.00000
    108      -1.6682      0.00000
    109      -1.5373      0.00000
    110      -1.5355      0.00000
    111      -1.5235      0.00000
    112      -1.5095      0.00000
    113      -0.5877      0.00000
    114       0.1332      0.00000
    115       0.2063      0.00000
    116       0.3247      0.00000
    117       0.3263      0.00000
    118       0.3337      0.00000
    119       0.4944      0.00000
    120       0.5904      0.00000
    121       1.2575      0.00000
    122       1.2662      0.00000
    123       1.5167      0.00000
    124       1.7930      0.00000
    125       1.7994      0.00000
    126       1.8026      0.00000
    127       1.8069      0.00000
    128       1.9447      0.00000
    129       1.9747      0.00000
    130       2.0320      0.00000
    131       2.0456      0.00000
    132       2.0507      0.00000
    133       2.0546      0.00000
    134       2.0566      0.00000
    135       2.2987      0.00000
    136       2.3226      0.00000
    137       2.6022      0.00000
    138       2.6096      0.00000
    139       2.6357      0.00000
    140       2.7125      0.00000
    141       2.8565      0.00000
    142       3.0255      0.00000
    143       3.0556      0.00000
    144       3.0835      0.00000
    145       3.0914      0.00000
    146       3.0928      0.00000
    147       3.0945      0.00000
    148       3.2219      0.00000
    149       3.4418      0.00000
    150       3.5344      0.00000
    151       3.7864      0.00000
    152       3.9390      0.00000
    153       3.9395      0.00000
    154       3.9449      0.00000
    155       3.9523      0.00000
    156       3.9958      0.00000
    157       4.1740      0.00000
    158       4.2596      0.00000
    159       4.2835      0.00000
    160       4.2841      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     -21.5721      1.00000
      4     -21.5393      1.00000
      5     -21.2091      1.00000
      6     -21.1644      1.00000
      7     -20.9887      1.00000
      8     -20.1030      1.00000
      9     -20.0590      1.00000
     10     -19.5474      1.00000
     11     -19.5229      1.00000
     12     -19.3504      1.00000
     13     -19.0259      1.00000
     14     -18.9907      1.00000
     15     -18.9827      1.00000
     16     -18.9705      1.00000
     17     -18.2985      1.00000
     18     -18.2792      1.00000
     19     -17.9532      1.00000
     20     -17.0105      1.00000
     21     -16.9606      1.00000
     22     -16.8797      1.00000
     23     -16.8695      1.00000
     24     -16.4056      1.00000
     25     -16.3908      1.00000
     26     -15.5528      1.00000
     27     -15.5370      1.00000
     28     -15.1986      1.00000
     29     -15.1702      1.00000
     30     -15.1158      1.00000
     31     -15.0287      1.00000
     32     -15.0040      1.00000
     33     -14.6371      1.00000
     34     -14.6254      1.00000
     35     -13.6681      1.00000
     36     -13.6528      1.00000
     37     -13.1705      1.00000
     38     -12.5515      1.00000
     39     -12.5184      1.00000
     40     -12.3921      1.00000
     41     -12.3792      1.00000
     42     -12.0578      1.00000
     43     -12.0350      1.00000
     44     -11.6599      1.00000
     45     -11.6180      1.00000
     46     -11.1808      1.00000
     47     -11.1574      1.00000
     48     -10.9655      1.00000
     49     -10.9418      1.00000
     50     -10.8742      1.00000
     51     -10.8381      1.00000
     52     -10.6027      1.00000
     53     -10.0939      1.00000
     54     -10.0896      1.00000
     55     -10.0462      1.00000
     56      -9.9715      1.00000
     57      -9.6548      1.00000
     58      -9.6302      1.00000
     59      -9.5930      1.00000
     60      -9.5303      1.00000
     61      -9.5110      1.00000
     62      -9.4801      1.00000
     63      -9.2650      1.00000
     64      -9.2421      1.00000
     65      -9.2217      1.00000
     66      -9.1669      1.00000
     67      -9.0695      1.00000
     68      -9.0480      1.00000
     69      -9.0415      1.00000
     70      -8.8838      1.00000
     71      -8.8067      1.00000
     72      -8.5772      1.00000
     73      -8.5227      1.00000
     74      -8.4595      1.00000
     75      -8.0357      1.00000
     76      -7.8115      1.00000
     77      -7.8076      1.00000
     78      -7.7931      1.00000
     79      -7.7009      1.00000
     80      -7.6915      1.00000
     81      -7.3627      1.00000
     82      -7.2745      1.00000
     83      -7.2647      1.00000
     84      -7.2160      1.00000
     85      -7.1732      1.00000
     86      -7.0093      1.00000
     87      -6.9476      1.00000
     88      -6.7466      1.00000
     89      -6.6729      1.00000
     90      -6.5951      1.00000
     91      -6.5602      1.00000
     92      -6.0507      1.00000
     93      -6.0472      1.00000
     94      -6.0218      1.00000
     95      -5.9595      1.00000
     96      -5.7371      1.00000
     97      -5.1532      1.00000
     98      -4.9884      1.00000
     99      -4.7187      1.00000
    100      -4.6115      1.00000
    101      -4.4395      1.00000
    102      -4.3734      1.00000
    103      -4.1216      1.00000
    104      -3.8679      1.00000
    105      -3.8301      1.00000
    106      -3.7911      1.00000
    107      -1.7856      0.00000
    108      -1.7390      0.00000
    109      -1.3950      0.00000
    110      -1.3464      0.00000
    111      -1.2651      0.00000
    112      -1.2263      0.00000
    113      -0.7461      0.00000
    114      -0.3804      0.00000
    115      -0.2205      0.00000
    116      -0.0200      0.00000
    117       0.5858      0.00000
    118       0.7351      0.00000
    119       0.7639      0.00000
    120       1.0495      0.00000
    121       1.1412      0.00000
    122       1.2489      0.00000
    123       1.2671      0.00000
    124       1.4099      0.00000
    125       1.4746      0.00000
    126       1.5762      0.00000
    127       1.7535      0.00000
    128       1.8376      0.00000
    129       1.8954      0.00000
    130       1.9571      0.00000
    131       2.1009      0.00000
    132       2.2268      0.00000
    133       2.2449      0.00000
    134       2.2884      0.00000
    135       2.4851      0.00000
    136       2.6053      0.00000
    137       2.6320      0.00000
    138       2.7605      0.00000
    139       2.7888      0.00000
    140       2.8561      0.00000
    141       2.8641      0.00000
    142       2.8918      0.00000
    143       2.9551      0.00000
    144       3.0720      0.00000
    145       3.2759      0.00000
    146       3.2954      0.00000
    147       3.3728      0.00000
    148       3.4050      0.00000
    149       3.4614      0.00000
    150       3.5781      0.00000
    151       3.6319      0.00000
    152       3.6659      0.00000
    153       3.7032      0.00000
    154       3.8990      0.00000
    155       3.9342      0.00000
    156       3.9767      0.00000
    157       4.0761      0.00000
    158       4.1944      0.00000
    159       4.2386      0.00000
    160       4.2913      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2156      1.00000
      2     -22.0094      1.00000
      3     -21.6508      1.00000
      4     -21.6137      1.00000
      5     -20.9143      1.00000
      6     -20.8681      1.00000
      7     -20.5470      1.00000
      8     -20.5078      1.00000
      9     -20.4974      1.00000
     10     -19.9650      1.00000
     11     -19.4436      1.00000
     12     -19.4166      1.00000
     13     -19.2429      1.00000
     14     -19.2285      1.00000
     15     -18.3853      1.00000
     16     -18.3411      1.00000
     17     -17.8611      1.00000
     18     -17.8401      1.00000
     19     -17.6990      1.00000
     20     -17.6565      1.00000
     21     -17.3732      1.00000
     22     -17.3570      1.00000
     23     -17.2755      1.00000
     24     -16.4021      1.00000
     25     -16.3873      1.00000
     26     -15.8978      1.00000
     27     -15.3535      1.00000
     28     -15.3383      1.00000
     29     -15.0356      1.00000
     30     -15.0220      1.00000
     31     -14.8004      1.00000
     32     -14.7758      1.00000
     33     -14.2228      1.00000
     34     -14.1908      1.00000
     35     -13.3717      1.00000
     36     -13.3381      1.00000
     37     -13.1206      1.00000
     38     -13.1032      1.00000
     39     -12.9176      1.00000
     40     -12.9042      1.00000
     41     -12.5574      1.00000
     42     -12.5395      1.00000
     43     -12.1340      1.00000
     44     -11.5225      1.00000
     45     -11.4749      1.00000
     46     -11.2544      1.00000
     47     -11.2208      1.00000
     48     -11.0803      1.00000
     49     -10.6586      1.00000
     50     -10.5893      1.00000
     51     -10.5236      1.00000
     52     -10.2589      1.00000
     53     -10.2499      1.00000
     54     -10.1236      1.00000
     55     -10.0496      1.00000
     56     -10.0415      1.00000
     57      -9.7704      1.00000
     58      -9.7063      1.00000
     59      -9.6808      1.00000
     60      -9.6312      1.00000
     61      -9.6276      1.00000
     62      -9.5891      1.00000
     63      -9.2952      1.00000
     64      -9.2861      1.00000
     65      -9.2538      1.00000
     66      -9.0874      1.00000
     67      -8.8980      1.00000
     68      -8.8842      1.00000
     69      -8.7259      1.00000
     70      -8.5894      1.00000
     71      -8.5146      1.00000
     72      -8.3319      1.00000
     73      -8.3034      1.00000
     74      -8.2650      1.00000
     75      -8.2337      1.00000
     76      -8.1957      1.00000
     77      -8.1866      1.00000
     78      -8.1713      1.00000
     79      -8.1012      1.00000
     80      -7.6894      1.00000
     81      -7.3555      1.00000
     82      -7.3105      1.00000
     83      -7.2653      1.00000
     84      -7.1874      1.00000
     85      -7.1253      1.00000
     86      -7.0775      1.00000
     87      -6.9078      1.00000
     88      -6.8834      1.00000
     89      -6.5496      1.00000
     90      -6.4930      1.00000
     91      -6.2099      1.00000
     92      -6.0694      1.00000
     93      -5.9418      1.00000
     94      -5.7145      1.00000
     95      -5.6334      1.00000
     96      -5.4527      1.00000
     97      -5.3051      1.00000
     98      -5.2348      1.00000
     99      -5.1528      1.00000
    100      -5.1522      1.00000
    101      -4.5207      1.00000
    102      -4.4697      1.00000
    103      -4.1409      1.00000
    104      -3.8333      1.00000
    105      -3.7572      1.00000
    106      -3.6807      1.00000
    107      -1.8713      0.00000
    108      -1.8245      0.00000
    109      -1.2778      0.00000
    110      -1.0364      0.00000
    111      -1.0124      0.00000
    112      -0.7131      0.00000
    113      -0.6401      0.00000
    114      -0.5886      0.00000
    115      -0.5463      0.00000
    116      -0.2049      0.00000
    117       0.2521      0.00000
    118       0.2785      0.00000
    119       0.7550      0.00000
    120       0.9407      0.00000
    121       1.1309      0.00000
    122       1.2242      0.00000
    123       1.3177      0.00000
    124       1.4080      0.00000
    125       1.5964      0.00000
    126       1.6329      0.00000
    127       1.6944      0.00000
    128       1.8218      0.00000
    129       1.9110      0.00000
    130       2.0046      0.00000
    131       2.1031      0.00000
    132       2.3244      0.00000
    133       2.3941      0.00000
    134       2.4267      0.00000
    135       2.5323      0.00000
    136       2.6309      0.00000
    137       2.7545      0.00000
    138       2.8142      0.00000
    139       2.8276      0.00000
    140       2.8849      0.00000
    141       3.0382      0.00000
    142       3.0852      0.00000
    143       3.1789      0.00000
    144       3.2313      0.00000
    145       3.3786      0.00000
    146       3.4181      0.00000
    147       3.4757      0.00000
    148       3.5699      0.00000
    149       3.5946      0.00000
    150       3.6251      0.00000
    151       3.6477      0.00000
    152       3.7381      0.00000
    153       3.7661      0.00000
    154       3.7791      0.00000
    155       3.8038      0.00000
    156       3.8881      0.00000
    157       3.9709      0.00000
    158       3.9994      0.00000
    159       4.1697      0.00000
    160       4.2326      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2495      1.00000
      2     -21.8950      1.00000
      3     -21.8248      1.00000
      4     -21.3131      1.00000
      5     -21.2829      1.00000
      6     -20.7717      1.00000
      7     -20.7062      1.00000
      8     -20.5576      1.00000
      9     -20.0100      1.00000
     10     -20.0027      1.00000
     11     -19.6491      1.00000
     12     -19.6249      1.00000
     13     -18.9305      1.00000
     14     -18.9222      1.00000
     15     -18.5716      1.00000
     16     -18.5577      1.00000
     17     -18.3951      1.00000
     18     -17.6157      1.00000
     19     -17.5597      1.00000
     20     -17.5546      1.00000
     21     -17.5133      1.00000
     22     -17.0567      1.00000
     23     -17.0390      1.00000
     24     -16.8920      1.00000
     25     -15.9302      1.00000
     26     -15.8685      1.00000
     27     -15.5175      1.00000
     28     -15.5166      1.00000
     29     -15.2292      1.00000
     30     -14.7954      1.00000
     31     -14.7681      1.00000
     32     -14.5160      1.00000
     33     -14.4721      1.00000
     34     -14.1024      1.00000
     35     -14.0914      1.00000
     36     -13.0768      1.00000
     37     -13.0340      1.00000
     38     -12.9677      1.00000
     39     -12.9555      1.00000
     40     -12.6459      1.00000
     41     -12.6395      1.00000
     42     -12.2749      1.00000
     43     -12.2438      1.00000
     44     -11.5875      1.00000
     45     -11.5610      1.00000
     46     -11.5073      1.00000
     47     -10.9046      1.00000
     48     -10.8517      1.00000
     49     -10.6212      1.00000
     50     -10.5596      1.00000
     51     -10.4851      1.00000
     52     -10.4342      1.00000
     53     -10.4245      1.00000
     54     -10.3715      1.00000
     55     -10.2947      1.00000
     56     -10.0660      1.00000
     57      -9.8346      1.00000
     58      -9.5489      1.00000
     59      -9.4893      1.00000
     60      -9.4704      1.00000
     61      -9.3469      1.00000
     62      -9.3315      1.00000
     63      -9.3112      1.00000
     64      -9.3090      1.00000
     65      -9.2153      1.00000
     66      -9.1120      1.00000
     67      -9.0810      1.00000
     68      -9.0503      1.00000
     69      -8.8481      1.00000
     70      -8.7934      1.00000
     71      -8.7745      1.00000
     72      -8.5283      1.00000
     73      -8.4760      1.00000
     74      -8.2221      1.00000
     75      -8.1106      1.00000
     76      -8.0997      1.00000
     77      -7.8083      1.00000
     78      -7.7841      1.00000
     79      -7.7816      1.00000
     80      -7.6742      1.00000
     81      -7.6320      1.00000
     82      -7.6308      1.00000
     83      -7.4011      1.00000
     84      -7.3255      1.00000
     85      -7.1994      1.00000
     86      -6.8398      1.00000
     87      -6.8293      1.00000
     88      -6.6612      1.00000
     89      -6.5393      1.00000
     90      -6.3447      1.00000
     91      -6.3077      1.00000
     92      -6.1849      1.00000
     93      -6.1474      1.00000
     94      -5.9780      1.00000
     95      -5.5721      1.00000
     96      -5.4267      1.00000
     97      -5.2594      1.00000
     98      -5.2476      1.00000
     99      -5.1497      1.00000
    100      -4.6957      1.00000
    101      -4.6651      1.00000
    102      -4.3492      1.00000
    103      -4.3136      1.00000
    104      -3.9634      1.00000
    105      -3.8261      1.00000
    106      -3.3906      1.00000
    107      -2.2206      0.00000
    108      -1.3770      0.00000
    109      -1.2871      0.00000
    110      -1.1737      0.00000
    111      -1.0783      0.00000
    112      -0.8943      0.00000
    113      -0.7685      0.00000
    114      -0.7576      0.00000
    115      -0.2212      0.00000
    116       0.1129      0.00000
    117       0.2637      0.00000
    118       0.3459      0.00000
    119       0.7291      0.00000
    120       0.9039      0.00000
    121       0.9708      0.00000
    122       1.0910      0.00000
    123       1.2014      0.00000
    124       1.5262      0.00000
    125       1.5568      0.00000
    126       1.7067      0.00000
    127       1.8375      0.00000
    128       1.8616      0.00000
    129       1.9652      0.00000
    130       1.9889      0.00000
    131       2.1557      0.00000
    132       2.2603      0.00000
    133       2.4496      0.00000
    134       2.4613      0.00000
    135       2.5064      0.00000
    136       2.6657      0.00000
    137       2.6844      0.00000
    138       2.7268      0.00000
    139       2.7399      0.00000
    140       2.8848      0.00000
    141       3.0168      0.00000
    142       3.0775      0.00000
    143       3.1949      0.00000
    144       3.2489      0.00000
    145       3.2514      0.00000
    146       3.2612      0.00000
    147       3.3518      0.00000
    148       3.4753      0.00000
    149       3.5222      0.00000
    150       3.6929      0.00000
    151       3.7433      0.00000
    152       3.7703      0.00000
    153       3.8303      0.00000
    154       3.8710      0.00000
    155       3.9361      0.00000
    156       3.9828      0.00000
    157       4.0223      0.00000
    158       4.0400      0.00000
    159       4.0504      0.00000
    160       4.1131      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1433      1.00000
      2     -22.0485      1.00000
      3     -21.8883      1.00000
      4     -21.3361      1.00000
      5     -20.9831      1.00000
      6     -20.9449      1.00000
      7     -20.4346      1.00000
      8     -20.3922      1.00000
      9     -20.2280      1.00000
     10     -20.2067      1.00000
     11     -19.8904      1.00000
     12     -19.8229      1.00000
     13     -18.8159      1.00000
     14     -18.7450      1.00000
     15     -18.2909      1.00000
     16     -18.2378      1.00000
     17     -18.0870      1.00000
     18     -18.0670      1.00000
     19     -17.7625      1.00000
     20     -17.7204      1.00000
     21     -17.1898      1.00000
     22     -17.1708      1.00000
     23     -17.1006      1.00000
     24     -17.0648      1.00000
     25     -16.0393      1.00000
     26     -15.8240      1.00000
     27     -15.8009      1.00000
     28     -15.7655      1.00000
     29     -15.1745      1.00000
     30     -14.4919      1.00000
     31     -14.4594      1.00000
     32     -14.2186      1.00000
     33     -13.8962      1.00000
     34     -13.8910      1.00000
     35     -13.7568      1.00000
     36     -13.7366      1.00000
     37     -13.5524      1.00000
     38     -13.5040      1.00000
     39     -13.3015      1.00000
     40     -12.5657      1.00000
     41     -12.1256      1.00000
     42     -12.0669      1.00000
     43     -12.0110      1.00000
     44     -11.9527      1.00000
     45     -11.6116      1.00000
     46     -11.5889      1.00000
     47     -11.0853      1.00000
     48     -11.0526      1.00000
     49     -10.7531      1.00000
     50     -10.6647      1.00000
     51     -10.5257      1.00000
     52     -10.1497      1.00000
     53     -10.1392      1.00000
     54     -10.0976      1.00000
     55      -9.9539      1.00000
     56      -9.9490      1.00000
     57      -9.9183      1.00000
     58      -9.7381      1.00000
     59      -9.7324      1.00000
     60      -9.7011      1.00000
     61      -9.6912      1.00000
     62      -9.4293      1.00000
     63      -9.3639      1.00000
     64      -9.0861      1.00000
     65      -9.0076      1.00000
     66      -8.9754      1.00000
     67      -8.8885      1.00000
     68      -8.8125      1.00000
     69      -8.6584      1.00000
     70      -8.6359      1.00000
     71      -8.5785      1.00000
     72      -8.4789      1.00000
     73      -8.4681      1.00000
     74      -8.3987      1.00000
     75      -8.3951      1.00000
     76      -8.1849      1.00000
     77      -8.1147      1.00000
     78      -7.9783      1.00000
     79      -7.9158      1.00000
     80      -7.8475      1.00000
     81      -7.6178      1.00000
     82      -7.5314      1.00000
     83      -7.4692      1.00000
     84      -7.2553      1.00000
     85      -6.9347      1.00000
     86      -6.8583      1.00000
     87      -6.8118      1.00000
     88      -6.5736      1.00000
     89      -6.4670      1.00000
     90      -6.4207      1.00000
     91      -6.3576      1.00000
     92      -6.0514      1.00000
     93      -5.8777      1.00000
     94      -5.7536      1.00000
     95      -5.7225      1.00000
     96      -5.4765      1.00000
     97      -5.3459      1.00000
     98      -5.1808      1.00000
     99      -5.1568      1.00000
    100      -5.1552      1.00000
    101      -4.7071      1.00000
    102      -4.4402      1.00000
    103      -4.2541      1.00000
    104      -3.9944      1.00000
    105      -3.8249      1.00000
    106      -3.1570      1.00000
    107      -2.4637      0.00000
    108      -1.3793      0.00000
    109      -1.2414      0.00000
    110      -1.1468      0.00000
    111      -1.1150      0.00000
    112      -0.5649      0.00000
    113      -0.4349      0.00000
    114      -0.4305      0.00000
    115      -0.3104      0.00000
    116      -0.1908      0.00000
    117       0.0617      0.00000
    118       0.1159      0.00000
    119       0.5397      0.00000
    120       0.6836      0.00000
    121       0.8668      0.00000
    122       0.9621      0.00000
    123       1.1055      0.00000
    124       1.4903      0.00000
    125       1.6566      0.00000
    126       1.7928      0.00000
    127       1.8674      0.00000
    128       2.0857      0.00000
    129       2.1367      0.00000
    130       2.1916      0.00000
    131       2.2132      0.00000
    132       2.3398      0.00000
    133       2.3586      0.00000
    134       2.4838      0.00000
    135       2.5762      0.00000
    136       2.6633      0.00000
    137       2.8762      0.00000
    138       2.9371      0.00000
    139       2.9616      0.00000
    140       2.9876      0.00000
    141       3.0350      0.00000
    142       3.1454      0.00000
    143       3.1809      0.00000
    144       3.2385      0.00000
    145       3.2855      0.00000
    146       3.3296      0.00000
    147       3.3478      0.00000
    148       3.3768      0.00000
    149       3.4006      0.00000
    150       3.4910      0.00000
    151       3.5421      0.00000
    152       3.6241      0.00000
    153       3.6908      0.00000
    154       3.7039      0.00000
    155       3.7193      0.00000
    156       3.9160      0.00000
    157       3.9312      0.00000
    158       4.0494      0.00000
    159       4.0802      0.00000
    160       4.1914      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2493      1.00000
      2     -21.8966      1.00000
      3     -21.8232      1.00000
      4     -21.3176      1.00000
      5     -21.2790      1.00000
      6     -20.7729      1.00000
      7     -20.7041      1.00000
      8     -20.5560      1.00000
      9     -20.0241      1.00000
     10     -19.9919      1.00000
     11     -19.6516      1.00000
     12     -19.6206      1.00000
     13     -18.9445      1.00000
     14     -18.9100      1.00000
     15     -18.5852      1.00000
     16     -18.5480      1.00000
     17     -18.3932      1.00000
     18     -17.6028      1.00000
     19     -17.5716      1.00000
     20     -17.5423      1.00000
     21     -17.5095      1.00000
     22     -17.0753      1.00000
     23     -17.0286      1.00000
     24     -16.9011      1.00000
     25     -15.9462      1.00000
     26     -15.8525      1.00000
     27     -15.5342      1.00000
     28     -15.5078      1.00000
     29     -15.2101      1.00000
     30     -14.8146      1.00000
     31     -14.7625      1.00000
     32     -14.5103      1.00000
     33     -14.4685      1.00000
     34     -14.0972      1.00000
     35     -14.0940      1.00000
     36     -13.1052      1.00000
     37     -13.0308      1.00000
     38     -12.9573      1.00000
     39     -12.9503      1.00000
     40     -12.6563      1.00000
     41     -12.6281      1.00000
     42     -12.2753      1.00000
     43     -12.2483      1.00000
     44     -11.5736      1.00000
     45     -11.5542      1.00000
     46     -11.5017      1.00000
     47     -10.8785      1.00000
     48     -10.8696      1.00000
     49     -10.6812      1.00000
     50     -10.5257      1.00000
     51     -10.5206      1.00000
     52     -10.4345      1.00000
     53     -10.4169      1.00000
     54     -10.3707      1.00000
     55     -10.2886      1.00000
     56     -10.0615      1.00000
     57      -9.8333      1.00000
     58      -9.5592      1.00000
     59      -9.4851      1.00000
     60      -9.4447      1.00000
     61      -9.3566      1.00000
     62      -9.3398      1.00000
     63      -9.3084      1.00000
     64      -9.3031      1.00000
     65      -9.2071      1.00000
     66      -9.1000      1.00000
     67      -9.0690      1.00000
     68      -9.0498      1.00000
     69      -8.8511      1.00000
     70      -8.7977      1.00000
     71      -8.7785      1.00000
     72      -8.5279      1.00000
     73      -8.4972      1.00000
     74      -8.2270      1.00000
     75      -8.1300      1.00000
     76      -8.0935      1.00000
     77      -7.8067      1.00000
     78      -7.7678      1.00000
     79      -7.7404      1.00000
     80      -7.7037      1.00000
     81      -7.6358      1.00000
     82      -7.6250      1.00000
     83      -7.3882      1.00000
     84      -7.3447      1.00000
     85      -7.2189      1.00000
     86      -6.8437      1.00000
     87      -6.8211      1.00000
     88      -6.6395      1.00000
     89      -6.5300      1.00000
     90      -6.3415      1.00000
     91      -6.2732      1.00000
     92      -6.1959      1.00000
     93      -6.1324      1.00000
     94      -6.0211      1.00000
     95      -5.6356      1.00000
     96      -5.5087      1.00000
     97      -5.2982      1.00000
     98      -5.1566      1.00000
     99      -5.0398      1.00000
    100      -4.7256      1.00000
    101      -4.6857      1.00000
    102      -4.3680      1.00000
    103      -4.1844      1.00000
    104      -4.0074      1.00000
    105      -3.8244      1.00000
    106      -3.4848      1.00000
    107      -2.1650      0.00000
    108      -1.3838      0.00000
    109      -1.2359      0.00000
    110      -1.1854      0.00000
    111      -1.0146      0.00000
    112      -0.9561      0.00000
    113      -0.7977      0.00000
    114      -0.7525      0.00000
    115      -0.3678      0.00000
    116       0.2450      0.00000
    117       0.2763      0.00000
    118       0.3637      0.00000
    119       0.6951      0.00000
    120       0.8678      0.00000
    121       0.9655      0.00000
    122       1.1217      0.00000
    123       1.2306      0.00000
    124       1.4511      0.00000
    125       1.5480      0.00000
    126       1.7785      0.00000
    127       1.8496      0.00000
    128       1.8816      0.00000
    129       1.9784      0.00000
    130       2.0244      0.00000
    131       2.1934      0.00000
    132       2.2044      0.00000
    133       2.3964      0.00000
    134       2.4506      0.00000
    135       2.5511      0.00000
    136       2.6574      0.00000
    137       2.6843      0.00000
    138       2.7238      0.00000
    139       2.7631      0.00000
    140       2.8456      0.00000
    141       2.9600      0.00000
    142       3.0746      0.00000
    143       3.1889      0.00000
    144       3.2336      0.00000
    145       3.2506      0.00000
    146       3.2891      0.00000
    147       3.3248      0.00000
    148       3.4744      0.00000
    149       3.5019      0.00000
    150       3.7031      0.00000
    151       3.7167      0.00000
    152       3.7697      0.00000
    153       3.8550      0.00000
    154       3.8694      0.00000
    155       3.8949      0.00000
    156       3.9934      0.00000
    157       3.9982      0.00000
    158       4.0450      0.00000
    159       4.0601      0.00000
    160       4.0837      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3213      1.00000
      2     -21.7631      1.00000
      3     -21.5694      1.00000
      4     -21.5421      1.00000
      5     -21.2067      1.00000
      6     -21.1676      1.00000
      7     -20.9873      1.00000
      8     -20.1001      1.00000
      9     -20.0612      1.00000
     10     -19.5476      1.00000
     11     -19.5276      1.00000
     12     -19.3461      1.00000
     13     -19.0293      1.00000
     14     -18.9894      1.00000
     15     -18.9791      1.00000
     16     -18.9732      1.00000
     17     -18.2971      1.00000
     18     -18.2837      1.00000
     19     -17.9473      1.00000
     20     -17.0014      1.00000
     21     -16.9604      1.00000
     22     -16.8836      1.00000
     23     -16.8707      1.00000
     24     -16.4170      1.00000
     25     -16.3944      1.00000
     26     -15.5421      1.00000
     27     -15.5388      1.00000
     28     -15.1739      1.00000
     29     -15.1723      1.00000
     30     -15.1318      1.00000
     31     -15.0374      1.00000
     32     -15.0019      1.00000
     33     -14.6345      1.00000
     34     -14.6276      1.00000
     35     -13.6637      1.00000
     36     -13.6539      1.00000
     37     -13.1716      1.00000
     38     -12.5733      1.00000
     39     -12.5138      1.00000
     40     -12.3868      1.00000
     41     -12.3862      1.00000
     42     -12.0360      1.00000
     43     -12.0320      1.00000
     44     -11.6561      1.00000
     45     -11.6160      1.00000
     46     -11.2064      1.00000
     47     -11.1578      1.00000
     48     -10.9558      1.00000
     49     -10.9431      1.00000
     50     -10.8615      1.00000
     51     -10.8294      1.00000
     52     -10.6246      1.00000
     53     -10.1467      1.00000
     54     -10.0851      1.00000
     55     -10.0256      1.00000
     56      -9.9465      1.00000
     57      -9.6323      1.00000
     58      -9.6301      1.00000
     59      -9.6039      1.00000
     60      -9.5412      1.00000
     61      -9.5040      1.00000
     62      -9.4804      1.00000
     63      -9.2731      1.00000
     64      -9.2361      1.00000
     65      -9.2080      1.00000
     66      -9.1806      1.00000
     67      -9.0636      1.00000
     68      -9.0476      1.00000
     69      -9.0440      1.00000
     70      -8.8781      1.00000
     71      -8.8097      1.00000
     72      -8.5355      1.00000
     73      -8.5335      1.00000
     74      -8.4998      1.00000
     75      -8.0312      1.00000
     76      -7.8323      1.00000
     77      -7.8007      1.00000
     78      -7.7751      1.00000
     79      -7.7038      1.00000
     80      -7.6849      1.00000
     81      -7.4127      1.00000
     82      -7.2881      1.00000
     83      -7.2522      1.00000
     84      -7.2036      1.00000
     85      -7.0819      1.00000
     86      -7.0756      1.00000
     87      -6.9388      1.00000
     88      -6.7117      1.00000
     89      -6.6749      1.00000
     90      -6.6299      1.00000
     91      -6.5581      1.00000
     92      -6.0715      1.00000
     93      -6.0319      1.00000
     94      -6.0013      1.00000
     95      -5.9387      1.00000
     96      -5.8000      1.00000
     97      -5.1792      1.00000
     98      -4.8933      1.00000
     99      -4.7936      1.00000
    100      -4.6113      1.00000
    101      -4.5124      1.00000
    102      -4.1396      1.00000
    103      -4.0917      1.00000
    104      -3.9315      1.00000
    105      -3.9159      1.00000
    106      -3.8238      1.00000
    107      -1.7522      0.00000
    108      -1.6967      0.00000
    109      -1.4107      0.00000
    110      -1.3714      0.00000
    111      -1.2650      0.00000
    112      -1.2362      0.00000
    113      -0.6255      0.00000
    114      -0.5987      0.00000
    115      -0.1903      0.00000
    116       0.0408      0.00000
    117       0.5795      0.00000
    118       0.7400      0.00000
    119       0.8492      0.00000
    120       0.9263      0.00000
    121       1.1676      0.00000
    122       1.2088      0.00000
    123       1.2442      0.00000
    124       1.4131      0.00000
    125       1.5950      0.00000
    126       1.6302      0.00000
    127       1.6998      0.00000
    128       1.8027      0.00000
    129       1.9217      0.00000
    130       1.9400      0.00000
    131       2.1399      0.00000
    132       2.1678      0.00000
    133       2.2572      0.00000
    134       2.2937      0.00000
    135       2.5364      0.00000
    136       2.5506      0.00000
    137       2.6333      0.00000
    138       2.7565      0.00000
    139       2.8012      0.00000
    140       2.8447      0.00000
    141       2.8932      0.00000
    142       2.9401      0.00000
    143       3.0071      0.00000
    144       3.0216      0.00000
    145       3.0775      0.00000
    146       3.2999      0.00000
    147       3.3668      0.00000
    148       3.4181      0.00000
    149       3.4725      0.00000
    150       3.5973      0.00000
    151       3.6538      0.00000
    152       3.6620      0.00000
    153       3.6756      0.00000
    154       3.8841      0.00000
    155       3.9699      0.00000
    156       4.0171      0.00000
    157       4.0671      0.00000
    158       4.2292      0.00000
    159       4.2527      0.00000
    160       4.2581      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1423      1.00000
      2     -22.0500      1.00000
      3     -21.8877      1.00000
      4     -21.3370      1.00000
      5     -20.9782      1.00000
      6     -20.9488      1.00000
      7     -20.4294      1.00000
      8     -20.3976      1.00000
      9     -20.2174      1.00000
     10     -20.2157      1.00000
     11     -19.8891      1.00000
     12     -19.8257      1.00000
     13     -18.8189      1.00000
     14     -18.7485      1.00000
     15     -18.2670      1.00000
     16     -18.2529      1.00000
     17     -18.0814      1.00000
     18     -18.0750      1.00000
     19     -17.7470      1.00000
     20     -17.7313      1.00000
     21     -17.1958      1.00000
     22     -17.1727      1.00000
     23     -17.0895      1.00000
     24     -17.0693      1.00000
     25     -16.0553      1.00000
     26     -15.8099      1.00000
     27     -15.8003      1.00000
     28     -15.7787      1.00000
     29     -15.1599      1.00000
     30     -14.4868      1.00000
     31     -14.4654      1.00000
     32     -14.2049      1.00000
     33     -13.9171      1.00000
     34     -13.8875      1.00000
     35     -13.7598      1.00000
     36     -13.7396      1.00000
     37     -13.5372      1.00000
     38     -13.5114      1.00000
     39     -13.3029      1.00000
     40     -12.5779      1.00000
     41     -12.1020      1.00000
     42     -12.0779      1.00000
     43     -11.9998      1.00000
     44     -11.9524      1.00000
     45     -11.6060      1.00000
     46     -11.5985      1.00000
     47     -11.0849      1.00000
     48     -11.0621      1.00000
     49     -10.7329      1.00000
     50     -10.6659      1.00000
     51     -10.5579      1.00000
     52     -10.1406      1.00000
     53     -10.1360      1.00000
     54     -10.1023      1.00000
     55      -9.9670      1.00000
     56      -9.9262      1.00000
     57      -9.9227      1.00000
     58      -9.7512      1.00000
     59      -9.7299      1.00000
     60      -9.6980      1.00000
     61      -9.6954      1.00000
     62      -9.4015      1.00000
     63      -9.3903      1.00000
     64      -9.0693      1.00000
     65      -8.9829      1.00000
     66      -8.9822      1.00000
     67      -8.9061      1.00000
     68      -8.8134      1.00000
     69      -8.6501      1.00000
     70      -8.6345      1.00000
     71      -8.5482      1.00000
     72      -8.5027      1.00000
     73      -8.4836      1.00000
     74      -8.3951      1.00000
     75      -8.3831      1.00000
     76      -8.2105      1.00000
     77      -8.1026      1.00000
     78      -8.0080      1.00000
     79      -7.9024      1.00000
     80      -7.8439      1.00000
     81      -7.6221      1.00000
     82      -7.5346      1.00000
     83      -7.4572      1.00000
     84      -7.2522      1.00000
     85      -6.9428      1.00000
     86      -6.8691      1.00000
     87      -6.8103      1.00000
     88      -6.4783      1.00000
     89      -6.4689      1.00000
     90      -6.4103      1.00000
     91      -6.3609      1.00000
     92      -6.1878      1.00000
     93      -5.8588      1.00000
     94      -5.7383      1.00000
     95      -5.7121      1.00000
     96      -5.5229      1.00000
     97      -5.3292      1.00000
     98      -5.1728      1.00000
     99      -5.1681      1.00000
    100      -5.1348      1.00000
    101      -4.6958      1.00000
    102      -4.3487      1.00000
    103      -4.2788      1.00000
    104      -4.0270      1.00000
    105      -3.8259      1.00000
    106      -3.2338      1.00000
    107      -2.4059      0.00000
    108      -1.3458      0.00000
    109      -1.2441      0.00000
    110      -1.1540      0.00000
    111      -1.1088      0.00000
    112      -0.5840      0.00000
    113      -0.5218      0.00000
    114      -0.4341      0.00000
    115      -0.2751      0.00000
    116      -0.0718      0.00000
    117      -0.0117      0.00000
    118       0.0598      0.00000
    119       0.5833      0.00000
    120       0.7101      0.00000
    121       0.8058      0.00000
    122       0.9373      0.00000
    123       1.1770      0.00000
    124       1.5020      0.00000
    125       1.6156      0.00000
    126       1.8489      0.00000
    127       1.9985      0.00000
    128       2.0464      0.00000
    129       2.1050      0.00000
    130       2.1467      0.00000
    131       2.2618      0.00000
    132       2.2846      0.00000
    133       2.3478      0.00000
    134       2.4592      0.00000
    135       2.6069      0.00000
    136       2.6952      0.00000
    137       2.8123      0.00000
    138       2.9147      0.00000
    139       2.9417      0.00000
    140       3.0075      0.00000
    141       3.0427      0.00000
    142       3.1519      0.00000
    143       3.1622      0.00000
    144       3.2196      0.00000
    145       3.2958      0.00000
    146       3.3063      0.00000
    147       3.3507      0.00000
    148       3.3692      0.00000
    149       3.4110      0.00000
    150       3.4345      0.00000
    151       3.5518      0.00000
    152       3.6043      0.00000
    153       3.7004      0.00000
    154       3.7197      0.00000
    155       3.8400      0.00000
    156       3.8975      0.00000
    157       3.9274      0.00000
    158       3.9553      0.00000
    159       4.1376      0.00000
    160       4.1740      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2152      1.00000
      2     -22.0102      1.00000
      3     -21.6481      1.00000
      4     -21.6167      1.00000
      5     -20.9116      1.00000
      6     -20.8708      1.00000
      7     -20.5409      1.00000
      8     -20.5083      1.00000
      9     -20.5014      1.00000
     10     -19.9639      1.00000
     11     -19.4423      1.00000
     12     -19.4205      1.00000
     13     -19.2416      1.00000
     14     -19.2345      1.00000
     15     -18.3776      1.00000
     16     -18.3423      1.00000
     17     -17.8601      1.00000
     18     -17.8441      1.00000
     19     -17.6926      1.00000
     20     -17.6565      1.00000
     21     -17.3735      1.00000
     22     -17.3593      1.00000
     23     -17.2682      1.00000
     24     -16.4146      1.00000
     25     -16.3912      1.00000
     26     -15.9061      1.00000
     27     -15.3449      1.00000
     28     -15.3401      1.00000
     29     -15.0324      1.00000
     30     -15.0228      1.00000
     31     -14.7773      1.00000
     32     -14.7751      1.00000
     33     -14.2385      1.00000
     34     -14.1879      1.00000
     35     -13.3883      1.00000
     36     -13.3342      1.00000
     37     -13.1121      1.00000
     38     -13.1041      1.00000
     39     -12.9193      1.00000
     40     -12.9137      1.00000
     41     -12.5463      1.00000
     42     -12.5386      1.00000
     43     -12.1341      1.00000
     44     -11.5150      1.00000
     45     -11.4708      1.00000
     46     -11.2460      1.00000
     47     -11.2146      1.00000
     48     -11.0868      1.00000
     49     -10.7049      1.00000
     50     -10.5963      1.00000
     51     -10.5095      1.00000
     52     -10.2524      1.00000
     53     -10.2483      1.00000
     54     -10.1225      1.00000
     55     -10.0549      1.00000
     56     -10.0401      1.00000
     57      -9.7855      1.00000
     58      -9.6878      1.00000
     59      -9.6747      1.00000
     60      -9.6386      1.00000
     61      -9.6288      1.00000
     62      -9.5873      1.00000
     63      -9.2964      1.00000
     64      -9.2844      1.00000
     65      -9.2542      1.00000
     66      -9.0649      1.00000
     67      -8.8954      1.00000
     68      -8.8847      1.00000
     69      -8.7199      1.00000
     70      -8.5816      1.00000
     71      -8.5272      1.00000
     72      -8.3516      1.00000
     73      -8.3056      1.00000
     74      -8.2445      1.00000
     75      -8.2384      1.00000
     76      -8.1951      1.00000
     77      -8.1824      1.00000
     78      -8.1705      1.00000
     79      -8.1081      1.00000
     80      -7.6906      1.00000
     81      -7.4169      1.00000
     82      -7.3438      1.00000
     83      -7.2594      1.00000
     84      -7.1690      1.00000
     85      -7.1113      1.00000
     86      -7.0050      1.00000
     87      -6.9049      1.00000
     88      -6.8484      1.00000
     89      -6.5426      1.00000
     90      -6.4988      1.00000
     91      -6.2103      1.00000
     92      -6.2022      1.00000
     93      -5.8953      1.00000
     94      -5.6734      1.00000
     95      -5.6075      1.00000
     96      -5.5812      1.00000
     97      -5.2539      1.00000
     98      -5.2317      1.00000
     99      -5.1655      1.00000
    100      -5.1353      1.00000
    101      -4.5985      1.00000
    102      -4.2490      1.00000
    103      -4.0435      1.00000
    104      -3.8851      1.00000
    105      -3.8392      1.00000
    106      -3.8006      1.00000
    107      -1.8083      0.00000
    108      -1.7813      0.00000
    109      -1.2258      0.00000
    110      -1.1758      0.00000
    111      -0.9744      0.00000
    112      -0.7350      0.00000
    113      -0.6504      0.00000
    114      -0.5942      0.00000
    115      -0.5498      0.00000
    116      -0.1551      0.00000
    117       0.1761      0.00000
    118       0.2879      0.00000
    119       0.7012      0.00000
    120       0.9435      0.00000
    121       1.1683      0.00000
    122       1.2776      0.00000
    123       1.3395      0.00000
    124       1.5052      0.00000
    125       1.6040      0.00000
    126       1.6248      0.00000
    127       1.6906      0.00000
    128       1.7713      0.00000
    129       1.8527      0.00000
    130       2.0731      0.00000
    131       2.1575      0.00000
    132       2.3180      0.00000
    133       2.3856      0.00000
    134       2.4216      0.00000
    135       2.5481      0.00000
    136       2.6194      0.00000
    137       2.6845      0.00000
    138       2.7443      0.00000
    139       2.8082      0.00000
    140       2.9049      0.00000
    141       3.0467      0.00000
    142       3.0571      0.00000
    143       3.1748      0.00000
    144       3.2744      0.00000
    145       3.3724      0.00000
    146       3.4058      0.00000
    147       3.4547      0.00000
    148       3.5444      0.00000
    149       3.5668      0.00000
    150       3.6284      0.00000
    151       3.6579      0.00000
    152       3.7009      0.00000
    153       3.7806      0.00000
    154       3.7934      0.00000
    155       3.8167      0.00000
    156       3.8854      0.00000
    157       3.9004      0.00000
    158       3.9702      0.00000
    159       4.1846      0.00000
    160       4.2235      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3580      1.00000
      2     -21.5378      1.00000
      3     -21.4086      1.00000
      4     -21.4074      1.00000
      5     -21.3764      1.00000
      6     -21.3672      1.00000
      7     -21.3603      1.00000
      8     -19.6472      1.00000
      9     -19.5736      1.00000
     10     -19.5665      1.00000
     11     -19.5598      1.00000
     12     -19.5415      1.00000
     13     -19.5389      1.00000
     14     -18.7290      1.00000
     15     -18.6808      1.00000
     16     -18.6734      1.00000
     17     -18.6600      1.00000
     18     -18.6445      1.00000
     19     -18.6428      1.00000
     20     -16.5866      1.00000
     21     -16.5274      1.00000
     22     -16.5249      1.00000
     23     -16.5120      1.00000
     24     -16.4875      1.00000
     25     -16.4860      1.00000
     26     -15.5595      1.00000
     27     -15.5275      1.00000
     28     -15.5267      1.00000
     29     -15.5011      1.00000
     30     -15.4959      1.00000
     31     -15.4901      1.00000
     32     -14.2069      1.00000
     33     -14.1813      1.00000
     34     -14.1684      1.00000
     35     -14.1661      1.00000
     36     -14.1608      1.00000
     37     -14.1496      1.00000
     38     -11.8836      1.00000
     39     -11.8085      1.00000
     40     -11.7928      1.00000
     41     -11.7925      1.00000
     42     -11.7892      1.00000
     43     -11.7836      1.00000
     44     -11.7058      1.00000
     45     -11.6989      1.00000
     46     -11.6736      1.00000
     47     -11.6591      1.00000
     48     -11.6585      1.00000
     49     -11.6516      1.00000
     50     -10.6731      1.00000
     51     -10.3298      1.00000
     52     -10.3218      1.00000
     53     -10.3064      1.00000
     54     -10.3049      1.00000
     55     -10.2920      1.00000
     56     -10.2791      1.00000
     57      -9.9266      1.00000
     58      -9.3738      1.00000
     59      -9.3603      1.00000
     60      -9.3015      1.00000
     61      -9.2932      1.00000
     62      -9.2867      1.00000
     63      -9.0923      1.00000
     64      -9.0553      1.00000
     65      -9.0499      1.00000
     66      -9.0276      1.00000
     67      -9.0075      1.00000
     68      -9.0023      1.00000
     69      -9.0011      1.00000
     70      -8.9960      1.00000
     71      -8.9923      1.00000
     72      -8.9728      1.00000
     73      -8.9654      1.00000
     74      -8.9545      1.00000
     75      -8.4963      1.00000
     76      -7.5125      1.00000
     77      -7.4110      1.00000
     78      -7.4109      1.00000
     79      -7.3997      1.00000
     80      -7.3841      1.00000
     81      -7.3645      1.00000
     82      -7.3418      1.00000
     83      -7.3112      1.00000
     84      -7.2692      1.00000
     85      -7.2073      1.00000
     86      -7.1809      1.00000
     87      -7.1808      1.00000
     88      -7.0751      1.00000
     89      -6.5082      1.00000
     90      -6.4615      1.00000
     91      -6.3556      1.00000
     92      -6.2945      1.00000
     93      -6.2886      1.00000
     94      -6.2875      1.00000
     95      -5.8971      1.00000
     96      -5.8855      1.00000
     97      -5.0438      1.00000
     98      -4.9350      1.00000
     99      -4.5377      1.00000
    100      -4.3413      1.00000
    101      -4.3185      1.00000
    102      -4.3177      1.00000
    103      -4.1164      1.00000
    104      -3.9118      1.00000
    105      -3.9020      1.00000
    106      -3.8297      1.00000
    107      -1.6819      0.00000
    108      -1.6682      0.00000
    109      -1.5373      0.00000
    110      -1.5355      0.00000
    111      -1.5235      0.00000
    112      -1.5095      0.00000
    113      -0.5877      0.00000
    114       0.1332      0.00000
    115       0.2063      0.00000
    116       0.3247      0.00000
    117       0.3263      0.00000
    118       0.3337      0.00000
    119       0.4944      0.00000
    120       0.5904      0.00000
    121       1.2575      0.00000
    122       1.2662      0.00000
    123       1.5167      0.00000
    124       1.7930      0.00000
    125       1.7994      0.00000
    126       1.8026      0.00000
    127       1.8069      0.00000
    128       1.9447      0.00000
    129       1.9747      0.00000
    130       2.0320      0.00000
    131       2.0456      0.00000
    132       2.0507      0.00000
    133       2.0546      0.00000
    134       2.0566      0.00000
    135       2.2987      0.00000
    136       2.3226      0.00000
    137       2.6022      0.00000
    138       2.6096      0.00000
    139       2.6357      0.00000
    140       2.7125      0.00000
    141       2.8565      0.00000
    142       3.0255      0.00000
    143       3.0556      0.00000
    144       3.0835      0.00000
    145       3.0914      0.00000
    146       3.0928      0.00000
    147       3.0945      0.00000
    148       3.2219      0.00000
    149       3.4418      0.00000
    150       3.5344      0.00000
    151       3.7864      0.00000
    152       3.9390      0.00000
    153       3.9395      0.00000
    154       3.9449      0.00000
    155       3.9523      0.00000
    156       3.9958      0.00000
    157       4.1740      0.00000
    158       4.2596      0.00000
    159       4.2835      0.00000
    160       4.2841      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     -21.5721      1.00000
      4     -21.5393      1.00000
      5     -21.2091      1.00000
      6     -21.1644      1.00000
      7     -20.9887      1.00000
      8     -20.1030      1.00000
      9     -20.0590      1.00000
     10     -19.5474      1.00000
     11     -19.5229      1.00000
     12     -19.3504      1.00000
     13     -19.0259      1.00000
     14     -18.9907      1.00000
     15     -18.9827      1.00000
     16     -18.9705      1.00000
     17     -18.2985      1.00000
     18     -18.2792      1.00000
     19     -17.9532      1.00000
     20     -17.0105      1.00000
     21     -16.9606      1.00000
     22     -16.8797      1.00000
     23     -16.8695      1.00000
     24     -16.4056      1.00000
     25     -16.3908      1.00000
     26     -15.5528      1.00000
     27     -15.5370      1.00000
     28     -15.1986      1.00000
     29     -15.1702      1.00000
     30     -15.1158      1.00000
     31     -15.0287      1.00000
     32     -15.0040      1.00000
     33     -14.6371      1.00000
     34     -14.6254      1.00000
     35     -13.6681      1.00000
     36     -13.6528      1.00000
     37     -13.1705      1.00000
     38     -12.5515      1.00000
     39     -12.5184      1.00000
     40     -12.3921      1.00000
     41     -12.3792      1.00000
     42     -12.0578      1.00000
     43     -12.0350      1.00000
     44     -11.6599      1.00000
     45     -11.6180      1.00000
     46     -11.1808      1.00000
     47     -11.1574      1.00000
     48     -10.9655      1.00000
     49     -10.9418      1.00000
     50     -10.8742      1.00000
     51     -10.8381      1.00000
     52     -10.6027      1.00000
     53     -10.0939      1.00000
     54     -10.0896      1.00000
     55     -10.0462      1.00000
     56      -9.9715      1.00000
     57      -9.6548      1.00000
     58      -9.6302      1.00000
     59      -9.5930      1.00000
     60      -9.5303      1.00000
     61      -9.5110      1.00000
     62      -9.4801      1.00000
     63      -9.2650      1.00000
     64      -9.2421      1.00000
     65      -9.2217      1.00000
     66      -9.1669      1.00000
     67      -9.0695      1.00000
     68      -9.0480      1.00000
     69      -9.0415      1.00000
     70      -8.8838      1.00000
     71      -8.8067      1.00000
     72      -8.5772      1.00000
     73      -8.5227      1.00000
     74      -8.4595      1.00000
     75      -8.0357      1.00000
     76      -7.8115      1.00000
     77      -7.8076      1.00000
     78      -7.7931      1.00000
     79      -7.7009      1.00000
     80      -7.6915      1.00000
     81      -7.3627      1.00000
     82      -7.2745      1.00000
     83      -7.2647      1.00000
     84      -7.2160      1.00000
     85      -7.1732      1.00000
     86      -7.0093      1.00000
     87      -6.9476      1.00000
     88      -6.7466      1.00000
     89      -6.6729      1.00000
     90      -6.5951      1.00000
     91      -6.5602      1.00000
     92      -6.0507      1.00000
     93      -6.0472      1.00000
     94      -6.0218      1.00000
     95      -5.9595      1.00000
     96      -5.7371      1.00000
     97      -5.1532      1.00000
     98      -4.9884      1.00000
     99      -4.7187      1.00000
    100      -4.6115      1.00000
    101      -4.4395      1.00000
    102      -4.3734      1.00000
    103      -4.1216      1.00000
    104      -3.8679      1.00000
    105      -3.8301      1.00000
    106      -3.7911      1.00000
    107      -1.7856      0.00000
    108      -1.7390      0.00000
    109      -1.3950      0.00000
    110      -1.3464      0.00000
    111      -1.2651      0.00000
    112      -1.2263      0.00000
    113      -0.7461      0.00000
    114      -0.3804      0.00000
    115      -0.2205      0.00000
    116      -0.0200      0.00000
    117       0.5858      0.00000
    118       0.7351      0.00000
    119       0.7639      0.00000
    120       1.0495      0.00000
    121       1.1412      0.00000
    122       1.2489      0.00000
    123       1.2671      0.00000
    124       1.4099      0.00000
    125       1.4746      0.00000
    126       1.5762      0.00000
    127       1.7535      0.00000
    128       1.8376      0.00000
    129       1.8954      0.00000
    130       1.9571      0.00000
    131       2.1009      0.00000
    132       2.2268      0.00000
    133       2.2449      0.00000
    134       2.2884      0.00000
    135       2.4851      0.00000
    136       2.6053      0.00000
    137       2.6320      0.00000
    138       2.7605      0.00000
    139       2.7888      0.00000
    140       2.8561      0.00000
    141       2.8642      0.00000
    142       2.8918      0.00000
    143       2.9551      0.00000
    144       3.0720      0.00000
    145       3.2759      0.00000
    146       3.2954      0.00000
    147       3.3728      0.00000
    148       3.4050      0.00000
    149       3.4614      0.00000
    150       3.5781      0.00000
    151       3.6319      0.00000
    152       3.6659      0.00000
    153       3.7032      0.00000
    154       3.8990      0.00000
    155       3.9342      0.00000
    156       3.9767      0.00000
    157       4.0761      0.00000
    158       4.1944      0.00000
    159       4.2386      0.00000
    160       4.2913      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2156      1.00000
      2     -22.0094      1.00000
      3     -21.6508      1.00000
      4     -21.6137      1.00000
      5     -20.9143      1.00000
      6     -20.8681      1.00000
      7     -20.5470      1.00000
      8     -20.5078      1.00000
      9     -20.4974      1.00000
     10     -19.9650      1.00000
     11     -19.4436      1.00000
     12     -19.4166      1.00000
     13     -19.2429      1.00000
     14     -19.2285      1.00000
     15     -18.3853      1.00000
     16     -18.3411      1.00000
     17     -17.8611      1.00000
     18     -17.8401      1.00000
     19     -17.6990      1.00000
     20     -17.6565      1.00000
     21     -17.3732      1.00000
     22     -17.3570      1.00000
     23     -17.2755      1.00000
     24     -16.4021      1.00000
     25     -16.3873      1.00000
     26     -15.8978      1.00000
     27     -15.3535      1.00000
     28     -15.3383      1.00000
     29     -15.0356      1.00000
     30     -15.0220      1.00000
     31     -14.8004      1.00000
     32     -14.7758      1.00000
     33     -14.2228      1.00000
     34     -14.1908      1.00000
     35     -13.3717      1.00000
     36     -13.3381      1.00000
     37     -13.1206      1.00000
     38     -13.1032      1.00000
     39     -12.9176      1.00000
     40     -12.9042      1.00000
     41     -12.5574      1.00000
     42     -12.5395      1.00000
     43     -12.1340      1.00000
     44     -11.5225      1.00000
     45     -11.4749      1.00000
     46     -11.2544      1.00000
     47     -11.2208      1.00000
     48     -11.0803      1.00000
     49     -10.6586      1.00000
     50     -10.5893      1.00000
     51     -10.5236      1.00000
     52     -10.2589      1.00000
     53     -10.2499      1.00000
     54     -10.1236      1.00000
     55     -10.0496      1.00000
     56     -10.0415      1.00000
     57      -9.7704      1.00000
     58      -9.7063      1.00000
     59      -9.6808      1.00000
     60      -9.6312      1.00000
     61      -9.6276      1.00000
     62      -9.5891      1.00000
     63      -9.2952      1.00000
     64      -9.2861      1.00000
     65      -9.2538      1.00000
     66      -9.0874      1.00000
     67      -8.8980      1.00000
     68      -8.8842      1.00000
     69      -8.7259      1.00000
     70      -8.5894      1.00000
     71      -8.5146      1.00000
     72      -8.3319      1.00000
     73      -8.3034      1.00000
     74      -8.2650      1.00000
     75      -8.2337      1.00000
     76      -8.1957      1.00000
     77      -8.1866      1.00000
     78      -8.1713      1.00000
     79      -8.1012      1.00000
     80      -7.6894      1.00000
     81      -7.3555      1.00000
     82      -7.3105      1.00000
     83      -7.2653      1.00000
     84      -7.1874      1.00000
     85      -7.1253      1.00000
     86      -7.0775      1.00000
     87      -6.9078      1.00000
     88      -6.8834      1.00000
     89      -6.5496      1.00000
     90      -6.4930      1.00000
     91      -6.2099      1.00000
     92      -6.0694      1.00000
     93      -5.9418      1.00000
     94      -5.7145      1.00000
     95      -5.6334      1.00000
     96      -5.4527      1.00000
     97      -5.3051      1.00000
     98      -5.2348      1.00000
     99      -5.1528      1.00000
    100      -5.1522      1.00000
    101      -4.5207      1.00000
    102      -4.4697      1.00000
    103      -4.1409      1.00000
    104      -3.8333      1.00000
    105      -3.7572      1.00000
    106      -3.6807      1.00000
    107      -1.8713      0.00000
    108      -1.8245      0.00000
    109      -1.2778      0.00000
    110      -1.0364      0.00000
    111      -1.0124      0.00000
    112      -0.7131      0.00000
    113      -0.6401      0.00000
    114      -0.5886      0.00000
    115      -0.5463      0.00000
    116      -0.2049      0.00000
    117       0.2521      0.00000
    118       0.2785      0.00000
    119       0.7550      0.00000
    120       0.9407      0.00000
    121       1.1309      0.00000
    122       1.2242      0.00000
    123       1.3177      0.00000
    124       1.4080      0.00000
    125       1.5964      0.00000
    126       1.6329      0.00000
    127       1.6944      0.00000
    128       1.8218      0.00000
    129       1.9110      0.00000
    130       2.0046      0.00000
    131       2.1031      0.00000
    132       2.3244      0.00000
    133       2.3941      0.00000
    134       2.4267      0.00000
    135       2.5323      0.00000
    136       2.6309      0.00000
    137       2.7545      0.00000
    138       2.8142      0.00000
    139       2.8276      0.00000
    140       2.8849      0.00000
    141       3.0382      0.00000
    142       3.0852      0.00000
    143       3.1789      0.00000
    144       3.2313      0.00000
    145       3.3786      0.00000
    146       3.4181      0.00000
    147       3.4757      0.00000
    148       3.5699      0.00000
    149       3.5946      0.00000
    150       3.6251      0.00000
    151       3.6477      0.00000
    152       3.7381      0.00000
    153       3.7661      0.00000
    154       3.7791      0.00000
    155       3.8038      0.00000
    156       3.8881      0.00000
    157       3.9709      0.00000
    158       3.9994      0.00000
    159       4.1697      0.00000
    160       4.2326      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2495      1.00000
      2     -21.8950      1.00000
      3     -21.8248      1.00000
      4     -21.3131      1.00000
      5     -21.2829      1.00000
      6     -20.7717      1.00000
      7     -20.7062      1.00000
      8     -20.5576      1.00000
      9     -20.0100      1.00000
     10     -20.0027      1.00000
     11     -19.6491      1.00000
     12     -19.6249      1.00000
     13     -18.9305      1.00000
     14     -18.9222      1.00000
     15     -18.5716      1.00000
     16     -18.5577      1.00000
     17     -18.3951      1.00000
     18     -17.6157      1.00000
     19     -17.5597      1.00000
     20     -17.5546      1.00000
     21     -17.5133      1.00000
     22     -17.0567      1.00000
     23     -17.0390      1.00000
     24     -16.8920      1.00000
     25     -15.9302      1.00000
     26     -15.8685      1.00000
     27     -15.5175      1.00000
     28     -15.5166      1.00000
     29     -15.2292      1.00000
     30     -14.7954      1.00000
     31     -14.7681      1.00000
     32     -14.5160      1.00000
     33     -14.4721      1.00000
     34     -14.1024      1.00000
     35     -14.0914      1.00000
     36     -13.0768      1.00000
     37     -13.0340      1.00000
     38     -12.9677      1.00000
     39     -12.9555      1.00000
     40     -12.6459      1.00000
     41     -12.6395      1.00000
     42     -12.2749      1.00000
     43     -12.2438      1.00000
     44     -11.5875      1.00000
     45     -11.5610      1.00000
     46     -11.5073      1.00000
     47     -10.9046      1.00000
     48     -10.8517      1.00000
     49     -10.6212      1.00000
     50     -10.5596      1.00000
     51     -10.4851      1.00000
     52     -10.4342      1.00000
     53     -10.4245      1.00000
     54     -10.3715      1.00000
     55     -10.2947      1.00000
     56     -10.0660      1.00000
     57      -9.8346      1.00000
     58      -9.5489      1.00000
     59      -9.4893      1.00000
     60      -9.4704      1.00000
     61      -9.3469      1.00000
     62      -9.3315      1.00000
     63      -9.3112      1.00000
     64      -9.3090      1.00000
     65      -9.2153      1.00000
     66      -9.1120      1.00000
     67      -9.0810      1.00000
     68      -9.0503      1.00000
     69      -8.8481      1.00000
     70      -8.7934      1.00000
     71      -8.7745      1.00000
     72      -8.5283      1.00000
     73      -8.4760      1.00000
     74      -8.2221      1.00000
     75      -8.1106      1.00000
     76      -8.0997      1.00000
     77      -7.8083      1.00000
     78      -7.7841      1.00000
     79      -7.7816      1.00000
     80      -7.6742      1.00000
     81      -7.6320      1.00000
     82      -7.6308      1.00000
     83      -7.4011      1.00000
     84      -7.3255      1.00000
     85      -7.1994      1.00000
     86      -6.8398      1.00000
     87      -6.8293      1.00000
     88      -6.6612      1.00000
     89      -6.5393      1.00000
     90      -6.3447      1.00000
     91      -6.3077      1.00000
     92      -6.1849      1.00000
     93      -6.1474      1.00000
     94      -5.9780      1.00000
     95      -5.5721      1.00000
     96      -5.4267      1.00000
     97      -5.2594      1.00000
     98      -5.2476      1.00000
     99      -5.1497      1.00000
    100      -4.6957      1.00000
    101      -4.6651      1.00000
    102      -4.3492      1.00000
    103      -4.3136      1.00000
    104      -3.9634      1.00000
    105      -3.8261      1.00000
    106      -3.3906      1.00000
    107      -2.2206      0.00000
    108      -1.3770      0.00000
    109      -1.2871      0.00000
    110      -1.1737      0.00000
    111      -1.0783      0.00000
    112      -0.8943      0.00000
    113      -0.7685      0.00000
    114      -0.7576      0.00000
    115      -0.2212      0.00000
    116       0.1129      0.00000
    117       0.2637      0.00000
    118       0.3459      0.00000
    119       0.7291      0.00000
    120       0.9039      0.00000
    121       0.9708      0.00000
    122       1.0910      0.00000
    123       1.2014      0.00000
    124       1.5262      0.00000
    125       1.5568      0.00000
    126       1.7067      0.00000
    127       1.8375      0.00000
    128       1.8616      0.00000
    129       1.9652      0.00000
    130       1.9889      0.00000
    131       2.1557      0.00000
    132       2.2603      0.00000
    133       2.4496      0.00000
    134       2.4613      0.00000
    135       2.5064      0.00000
    136       2.6657      0.00000
    137       2.6844      0.00000
    138       2.7268      0.00000
    139       2.7399      0.00000
    140       2.8848      0.00000
    141       3.0168      0.00000
    142       3.0775      0.00000
    143       3.1949      0.00000
    144       3.2489      0.00000
    145       3.2514      0.00000
    146       3.2612      0.00000
    147       3.3518      0.00000
    148       3.4753      0.00000
    149       3.5222      0.00000
    150       3.6929      0.00000
    151       3.7433      0.00000
    152       3.7703      0.00000
    153       3.8303      0.00000
    154       3.8710      0.00000
    155       3.9361      0.00000
    156       3.9828      0.00000
    157       4.0223      0.00000
    158       4.0400      0.00000
    159       4.0504      0.00000
    160       4.1128      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1433      1.00000
      2     -22.0485      1.00000
      3     -21.8883      1.00000
      4     -21.3361      1.00000
      5     -20.9831      1.00000
      6     -20.9449      1.00000
      7     -20.4346      1.00000
      8     -20.3922      1.00000
      9     -20.2280      1.00000
     10     -20.2067      1.00000
     11     -19.8904      1.00000
     12     -19.8229      1.00000
     13     -18.8159      1.00000
     14     -18.7450      1.00000
     15     -18.2909      1.00000
     16     -18.2378      1.00000
     17     -18.0870      1.00000
     18     -18.0670      1.00000
     19     -17.7625      1.00000
     20     -17.7204      1.00000
     21     -17.1898      1.00000
     22     -17.1708      1.00000
     23     -17.1006      1.00000
     24     -17.0648      1.00000
     25     -16.0393      1.00000
     26     -15.8240      1.00000
     27     -15.8009      1.00000
     28     -15.7655      1.00000
     29     -15.1745      1.00000
     30     -14.4919      1.00000
     31     -14.4594      1.00000
     32     -14.2186      1.00000
     33     -13.8962      1.00000
     34     -13.8910      1.00000
     35     -13.7568      1.00000
     36     -13.7366      1.00000
     37     -13.5524      1.00000
     38     -13.5040      1.00000
     39     -13.3015      1.00000
     40     -12.5657      1.00000
     41     -12.1256      1.00000
     42     -12.0669      1.00000
     43     -12.0110      1.00000
     44     -11.9527      1.00000
     45     -11.6116      1.00000
     46     -11.5889      1.00000
     47     -11.0853      1.00000
     48     -11.0526      1.00000
     49     -10.7531      1.00000
     50     -10.6647      1.00000
     51     -10.5257      1.00000
     52     -10.1497      1.00000
     53     -10.1392      1.00000
     54     -10.0976      1.00000
     55      -9.9539      1.00000
     56      -9.9490      1.00000
     57      -9.9183      1.00000
     58      -9.7381      1.00000
     59      -9.7324      1.00000
     60      -9.7011      1.00000
     61      -9.6912      1.00000
     62      -9.4293      1.00000
     63      -9.3639      1.00000
     64      -9.0861      1.00000
     65      -9.0076      1.00000
     66      -8.9754      1.00000
     67      -8.8885      1.00000
     68      -8.8125      1.00000
     69      -8.6584      1.00000
     70      -8.6359      1.00000
     71      -8.5785      1.00000
     72      -8.4789      1.00000
     73      -8.4681      1.00000
     74      -8.3987      1.00000
     75      -8.3951      1.00000
     76      -8.1849      1.00000
     77      -8.1147      1.00000
     78      -7.9783      1.00000
     79      -7.9158      1.00000
     80      -7.8475      1.00000
     81      -7.6178      1.00000
     82      -7.5314      1.00000
     83      -7.4692      1.00000
     84      -7.2553      1.00000
     85      -6.9347      1.00000
     86      -6.8583      1.00000
     87      -6.8118      1.00000
     88      -6.5736      1.00000
     89      -6.4670      1.00000
     90      -6.4207      1.00000
     91      -6.3576      1.00000
     92      -6.0514      1.00000
     93      -5.8777      1.00000
     94      -5.7536      1.00000
     95      -5.7225      1.00000
     96      -5.4765      1.00000
     97      -5.3459      1.00000
     98      -5.1808      1.00000
     99      -5.1568      1.00000
    100      -5.1552      1.00000
    101      -4.7071      1.00000
    102      -4.4402      1.00000
    103      -4.2541      1.00000
    104      -3.9944      1.00000
    105      -3.8249      1.00000
    106      -3.1570      1.00000
    107      -2.4637      0.00000
    108      -1.3793      0.00000
    109      -1.2414      0.00000
    110      -1.1468      0.00000
    111      -1.1150      0.00000
    112      -0.5649      0.00000
    113      -0.4349      0.00000
    114      -0.4305      0.00000
    115      -0.3104      0.00000
    116      -0.1908      0.00000
    117       0.0617      0.00000
    118       0.1159      0.00000
    119       0.5397      0.00000
    120       0.6836      0.00000
    121       0.8668      0.00000
    122       0.9621      0.00000
    123       1.1055      0.00000
    124       1.4903      0.00000
    125       1.6566      0.00000
    126       1.7928      0.00000
    127       1.8674      0.00000
    128       2.0857      0.00000
    129       2.1367      0.00000
    130       2.1916      0.00000
    131       2.2132      0.00000
    132       2.3398      0.00000
    133       2.3586      0.00000
    134       2.4838      0.00000
    135       2.5762      0.00000
    136       2.6633      0.00000
    137       2.8762      0.00000
    138       2.9371      0.00000
    139       2.9616      0.00000
    140       2.9876      0.00000
    141       3.0350      0.00000
    142       3.1454      0.00000
    143       3.1809      0.00000
    144       3.2385      0.00000
    145       3.2855      0.00000
    146       3.3296      0.00000
    147       3.3478      0.00000
    148       3.3768      0.00000
    149       3.4006      0.00000
    150       3.4910      0.00000
    151       3.5421      0.00000
    152       3.6241      0.00000
    153       3.6908      0.00000
    154       3.7039      0.00000
    155       3.7193      0.00000
    156       3.9160      0.00000
    157       3.9312      0.00000
    158       4.0494      0.00000
    159       4.0802      0.00000
    160       4.1914      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2493      1.00000
      2     -21.8966      1.00000
      3     -21.8232      1.00000
      4     -21.3176      1.00000
      5     -21.2790      1.00000
      6     -20.7729      1.00000
      7     -20.7041      1.00000
      8     -20.5560      1.00000
      9     -20.0241      1.00000
     10     -19.9919      1.00000
     11     -19.6516      1.00000
     12     -19.6206      1.00000
     13     -18.9445      1.00000
     14     -18.9100      1.00000
     15     -18.5852      1.00000
     16     -18.5480      1.00000
     17     -18.3932      1.00000
     18     -17.6028      1.00000
     19     -17.5716      1.00000
     20     -17.5423      1.00000
     21     -17.5095      1.00000
     22     -17.0753      1.00000
     23     -17.0286      1.00000
     24     -16.9011      1.00000
     25     -15.9462      1.00000
     26     -15.8525      1.00000
     27     -15.5342      1.00000
     28     -15.5078      1.00000
     29     -15.2101      1.00000
     30     -14.8146      1.00000
     31     -14.7625      1.00000
     32     -14.5103      1.00000
     33     -14.4685      1.00000
     34     -14.0972      1.00000
     35     -14.0940      1.00000
     36     -13.1052      1.00000
     37     -13.0308      1.00000
     38     -12.9573      1.00000
     39     -12.9503      1.00000
     40     -12.6563      1.00000
     41     -12.6281      1.00000
     42     -12.2753      1.00000
     43     -12.2483      1.00000
     44     -11.5736      1.00000
     45     -11.5542      1.00000
     46     -11.5017      1.00000
     47     -10.8785      1.00000
     48     -10.8696      1.00000
     49     -10.6812      1.00000
     50     -10.5257      1.00000
     51     -10.5206      1.00000
     52     -10.4345      1.00000
     53     -10.4169      1.00000
     54     -10.3707      1.00000
     55     -10.2886      1.00000
     56     -10.0615      1.00000
     57      -9.8333      1.00000
     58      -9.5592      1.00000
     59      -9.4851      1.00000
     60      -9.4447      1.00000
     61      -9.3566      1.00000
     62      -9.3398      1.00000
     63      -9.3084      1.00000
     64      -9.3031      1.00000
     65      -9.2071      1.00000
     66      -9.1000      1.00000
     67      -9.0690      1.00000
     68      -9.0498      1.00000
     69      -8.8511      1.00000
     70      -8.7977      1.00000
     71      -8.7785      1.00000
     72      -8.5279      1.00000
     73      -8.4972      1.00000
     74      -8.2270      1.00000
     75      -8.1300      1.00000
     76      -8.0935      1.00000
     77      -7.8067      1.00000
     78      -7.7678      1.00000
     79      -7.7404      1.00000
     80      -7.7037      1.00000
     81      -7.6358      1.00000
     82      -7.6250      1.00000
     83      -7.3882      1.00000
     84      -7.3447      1.00000
     85      -7.2189      1.00000
     86      -6.8437      1.00000
     87      -6.8211      1.00000
     88      -6.6395      1.00000
     89      -6.5300      1.00000
     90      -6.3415      1.00000
     91      -6.2732      1.00000
     92      -6.1959      1.00000
     93      -6.1324      1.00000
     94      -6.0211      1.00000
     95      -5.6356      1.00000
     96      -5.5087      1.00000
     97      -5.2982      1.00000
     98      -5.1566      1.00000
     99      -5.0398      1.00000
    100      -4.7256      1.00000
    101      -4.6857      1.00000
    102      -4.3680      1.00000
    103      -4.1844      1.00000
    104      -4.0074      1.00000
    105      -3.8244      1.00000
    106      -3.4848      1.00000
    107      -2.1650      0.00000
    108      -1.3838      0.00000
    109      -1.2359      0.00000
    110      -1.1854      0.00000
    111      -1.0146      0.00000
    112      -0.9561      0.00000
    113      -0.7977      0.00000
    114      -0.7525      0.00000
    115      -0.3678      0.00000
    116       0.2450      0.00000
    117       0.2763      0.00000
    118       0.3637      0.00000
    119       0.6951      0.00000
    120       0.8678      0.00000
    121       0.9655      0.00000
    122       1.1217      0.00000
    123       1.2306      0.00000
    124       1.4511      0.00000
    125       1.5480      0.00000
    126       1.7785      0.00000
    127       1.8496      0.00000
    128       1.8816      0.00000
    129       1.9784      0.00000
    130       2.0244      0.00000
    131       2.1934      0.00000
    132       2.2044      0.00000
    133       2.3964      0.00000
    134       2.4506      0.00000
    135       2.5511      0.00000
    136       2.6574      0.00000
    137       2.6843      0.00000
    138       2.7238      0.00000
    139       2.7631      0.00000
    140       2.8456      0.00000
    141       2.9600      0.00000
    142       3.0746      0.00000
    143       3.1889      0.00000
    144       3.2336      0.00000
    145       3.2506      0.00000
    146       3.2891      0.00000
    147       3.3248      0.00000
    148       3.4744      0.00000
    149       3.5019      0.00000
    150       3.7031      0.00000
    151       3.7167      0.00000
    152       3.7697      0.00000
    153       3.8550      0.00000
    154       3.8694      0.00000
    155       3.8949      0.00000
    156       3.9934      0.00000
    157       3.9982      0.00000
    158       4.0450      0.00000
    159       4.0601      0.00000
    160       4.0837      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3213      1.00000
      2     -21.7631      1.00000
      3     -21.5694      1.00000
      4     -21.5421      1.00000
      5     -21.2067      1.00000
      6     -21.1676      1.00000
      7     -20.9873      1.00000
      8     -20.1001      1.00000
      9     -20.0612      1.00000
     10     -19.5476      1.00000
     11     -19.5276      1.00000
     12     -19.3461      1.00000
     13     -19.0293      1.00000
     14     -18.9894      1.00000
     15     -18.9791      1.00000
     16     -18.9732      1.00000
     17     -18.2971      1.00000
     18     -18.2837      1.00000
     19     -17.9473      1.00000
     20     -17.0014      1.00000
     21     -16.9604      1.00000
     22     -16.8836      1.00000
     23     -16.8707      1.00000
     24     -16.4170      1.00000
     25     -16.3944      1.00000
     26     -15.5421      1.00000
     27     -15.5388      1.00000
     28     -15.1739      1.00000
     29     -15.1723      1.00000
     30     -15.1318      1.00000
     31     -15.0374      1.00000
     32     -15.0019      1.00000
     33     -14.6345      1.00000
     34     -14.6276      1.00000
     35     -13.6637      1.00000
     36     -13.6539      1.00000
     37     -13.1716      1.00000
     38     -12.5733      1.00000
     39     -12.5138      1.00000
     40     -12.3868      1.00000
     41     -12.3862      1.00000
     42     -12.0360      1.00000
     43     -12.0320      1.00000
     44     -11.6561      1.00000
     45     -11.6160      1.00000
     46     -11.2064      1.00000
     47     -11.1578      1.00000
     48     -10.9558      1.00000
     49     -10.9431      1.00000
     50     -10.8615      1.00000
     51     -10.8294      1.00000
     52     -10.6246      1.00000
     53     -10.1467      1.00000
     54     -10.0851      1.00000
     55     -10.0256      1.00000
     56      -9.9465      1.00000
     57      -9.6323      1.00000
     58      -9.6301      1.00000
     59      -9.6039      1.00000
     60      -9.5412      1.00000
     61      -9.5040      1.00000
     62      -9.4804      1.00000
     63      -9.2731      1.00000
     64      -9.2361      1.00000
     65      -9.2080      1.00000
     66      -9.1806      1.00000
     67      -9.0636      1.00000
     68      -9.0476      1.00000
     69      -9.0440      1.00000
     70      -8.8781      1.00000
     71      -8.8097      1.00000
     72      -8.5355      1.00000
     73      -8.5335      1.00000
     74      -8.4998      1.00000
     75      -8.0312      1.00000
     76      -7.8323      1.00000
     77      -7.8007      1.00000
     78      -7.7751      1.00000
     79      -7.7038      1.00000
     80      -7.6849      1.00000
     81      -7.4127      1.00000
     82      -7.2881      1.00000
     83      -7.2522      1.00000
     84      -7.2036      1.00000
     85      -7.0819      1.00000
     86      -7.0756      1.00000
     87      -6.9388      1.00000
     88      -6.7117      1.00000
     89      -6.6749      1.00000
     90      -6.6299      1.00000
     91      -6.5581      1.00000
     92      -6.0715      1.00000
     93      -6.0319      1.00000
     94      -6.0013      1.00000
     95      -5.9387      1.00000
     96      -5.8000      1.00000
     97      -5.1792      1.00000
     98      -4.8933      1.00000
     99      -4.7936      1.00000
    100      -4.6113      1.00000
    101      -4.5124      1.00000
    102      -4.1396      1.00000
    103      -4.0917      1.00000
    104      -3.9315      1.00000
    105      -3.9159      1.00000
    106      -3.8238      1.00000
    107      -1.7522      0.00000
    108      -1.6967      0.00000
    109      -1.4107      0.00000
    110      -1.3714      0.00000
    111      -1.2650      0.00000
    112      -1.2362      0.00000
    113      -0.6255      0.00000
    114      -0.5987      0.00000
    115      -0.1903      0.00000
    116       0.0408      0.00000
    117       0.5795      0.00000
    118       0.7400      0.00000
    119       0.8492      0.00000
    120       0.9263      0.00000
    121       1.1676      0.00000
    122       1.2088      0.00000
    123       1.2442      0.00000
    124       1.4131      0.00000
    125       1.5950      0.00000
    126       1.6302      0.00000
    127       1.6998      0.00000
    128       1.8027      0.00000
    129       1.9217      0.00000
    130       1.9400      0.00000
    131       2.1399      0.00000
    132       2.1678      0.00000
    133       2.2572      0.00000
    134       2.2937      0.00000
    135       2.5364      0.00000
    136       2.5506      0.00000
    137       2.6333      0.00000
    138       2.7565      0.00000
    139       2.8012      0.00000
    140       2.8447      0.00000
    141       2.8932      0.00000
    142       2.9401      0.00000
    143       3.0071      0.00000
    144       3.0216      0.00000
    145       3.0775      0.00000
    146       3.2999      0.00000
    147       3.3668      0.00000
    148       3.4181      0.00000
    149       3.4725      0.00000
    150       3.5973      0.00000
    151       3.6538      0.00000
    152       3.6620      0.00000
    153       3.6756      0.00000
    154       3.8841      0.00000
    155       3.9699      0.00000
    156       4.0171      0.00000
    157       4.0671      0.00000
    158       4.2292      0.00000
    159       4.2527      0.00000
    160       4.2581      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1423      1.00000
      2     -22.0500      1.00000
      3     -21.8877      1.00000
      4     -21.3370      1.00000
      5     -20.9782      1.00000
      6     -20.9488      1.00000
      7     -20.4294      1.00000
      8     -20.3976      1.00000
      9     -20.2174      1.00000
     10     -20.2157      1.00000
     11     -19.8891      1.00000
     12     -19.8257      1.00000
     13     -18.8189      1.00000
     14     -18.7485      1.00000
     15     -18.2670      1.00000
     16     -18.2529      1.00000
     17     -18.0814      1.00000
     18     -18.0750      1.00000
     19     -17.7470      1.00000
     20     -17.7313      1.00000
     21     -17.1958      1.00000
     22     -17.1727      1.00000
     23     -17.0895      1.00000
     24     -17.0693      1.00000
     25     -16.0553      1.00000
     26     -15.8099      1.00000
     27     -15.8003      1.00000
     28     -15.7787      1.00000
     29     -15.1599      1.00000
     30     -14.4868      1.00000
     31     -14.4654      1.00000
     32     -14.2049      1.00000
     33     -13.9171      1.00000
     34     -13.8875      1.00000
     35     -13.7598      1.00000
     36     -13.7396      1.00000
     37     -13.5372      1.00000
     38     -13.5114      1.00000
     39     -13.3029      1.00000
     40     -12.5779      1.00000
     41     -12.1020      1.00000
     42     -12.0779      1.00000
     43     -11.9998      1.00000
     44     -11.9524      1.00000
     45     -11.6060      1.00000
     46     -11.5985      1.00000
     47     -11.0849      1.00000
     48     -11.0621      1.00000
     49     -10.7329      1.00000
     50     -10.6659      1.00000
     51     -10.5579      1.00000
     52     -10.1406      1.00000
     53     -10.1360      1.00000
     54     -10.1023      1.00000
     55      -9.9670      1.00000
     56      -9.9262      1.00000
     57      -9.9227      1.00000
     58      -9.7512      1.00000
     59      -9.7299      1.00000
     60      -9.6980      1.00000
     61      -9.6954      1.00000
     62      -9.4015      1.00000
     63      -9.3903      1.00000
     64      -9.0693      1.00000
     65      -8.9829      1.00000
     66      -8.9822      1.00000
     67      -8.9061      1.00000
     68      -8.8134      1.00000
     69      -8.6501      1.00000
     70      -8.6345      1.00000
     71      -8.5482      1.00000
     72      -8.5027      1.00000
     73      -8.4836      1.00000
     74      -8.3951      1.00000
     75      -8.3831      1.00000
     76      -8.2105      1.00000
     77      -8.1026      1.00000
     78      -8.0080      1.00000
     79      -7.9024      1.00000
     80      -7.8439      1.00000
     81      -7.6221      1.00000
     82      -7.5346      1.00000
     83      -7.4572      1.00000
     84      -7.2522      1.00000
     85      -6.9428      1.00000
     86      -6.8691      1.00000
     87      -6.8103      1.00000
     88      -6.4783      1.00000
     89      -6.4689      1.00000
     90      -6.4103      1.00000
     91      -6.3609      1.00000
     92      -6.1878      1.00000
     93      -5.8588      1.00000
     94      -5.7383      1.00000
     95      -5.7121      1.00000
     96      -5.5229      1.00000
     97      -5.3292      1.00000
     98      -5.1728      1.00000
     99      -5.1681      1.00000
    100      -5.1348      1.00000
    101      -4.6958      1.00000
    102      -4.3487      1.00000
    103      -4.2788      1.00000
    104      -4.0270      1.00000
    105      -3.8259      1.00000
    106      -3.2338      1.00000
    107      -2.4059      0.00000
    108      -1.3458      0.00000
    109      -1.2441      0.00000
    110      -1.1540      0.00000
    111      -1.1088      0.00000
    112      -0.5840      0.00000
    113      -0.5218      0.00000
    114      -0.4341      0.00000
    115      -0.2751      0.00000
    116      -0.0718      0.00000
    117      -0.0117      0.00000
    118       0.0598      0.00000
    119       0.5833      0.00000
    120       0.7101      0.00000
    121       0.8058      0.00000
    122       0.9373      0.00000
    123       1.1770      0.00000
    124       1.5020      0.00000
    125       1.6156      0.00000
    126       1.8489      0.00000
    127       1.9985      0.00000
    128       2.0464      0.00000
    129       2.1050      0.00000
    130       2.1467      0.00000
    131       2.2618      0.00000
    132       2.2846      0.00000
    133       2.3478      0.00000
    134       2.4592      0.00000
    135       2.6069      0.00000
    136       2.6952      0.00000
    137       2.8123      0.00000
    138       2.9147      0.00000
    139       2.9417      0.00000
    140       3.0075      0.00000
    141       3.0427      0.00000
    142       3.1519      0.00000
    143       3.1622      0.00000
    144       3.2196      0.00000
    145       3.2958      0.00000
    146       3.3063      0.00000
    147       3.3507      0.00000
    148       3.3692      0.00000
    149       3.4110      0.00000
    150       3.4345      0.00000
    151       3.5518      0.00000
    152       3.6043      0.00000
    153       3.7004      0.00000
    154       3.7197      0.00000
    155       3.8400      0.00000
    156       3.8975      0.00000
    157       3.9274      0.00000
    158       3.9553      0.00000
    159       4.1376      0.00000
    160       4.1740      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2152      1.00000
      2     -22.0102      1.00000
      3     -21.6481      1.00000
      4     -21.6167      1.00000
      5     -20.9116      1.00000
      6     -20.8708      1.00000
      7     -20.5409      1.00000
      8     -20.5083      1.00000
      9     -20.5014      1.00000
     10     -19.9639      1.00000
     11     -19.4423      1.00000
     12     -19.4205      1.00000
     13     -19.2416      1.00000
     14     -19.2345      1.00000
     15     -18.3776      1.00000
     16     -18.3423      1.00000
     17     -17.8601      1.00000
     18     -17.8441      1.00000
     19     -17.6926      1.00000
     20     -17.6565      1.00000
     21     -17.3735      1.00000
     22     -17.3593      1.00000
     23     -17.2682      1.00000
     24     -16.4146      1.00000
     25     -16.3912      1.00000
     26     -15.9061      1.00000
     27     -15.3449      1.00000
     28     -15.3401      1.00000
     29     -15.0324      1.00000
     30     -15.0228      1.00000
     31     -14.7773      1.00000
     32     -14.7751      1.00000
     33     -14.2385      1.00000
     34     -14.1879      1.00000
     35     -13.3883      1.00000
     36     -13.3342      1.00000
     37     -13.1121      1.00000
     38     -13.1041      1.00000
     39     -12.9193      1.00000
     40     -12.9137      1.00000
     41     -12.5463      1.00000
     42     -12.5386      1.00000
     43     -12.1341      1.00000
     44     -11.5150      1.00000
     45     -11.4708      1.00000
     46     -11.2460      1.00000
     47     -11.2146      1.00000
     48     -11.0868      1.00000
     49     -10.7049      1.00000
     50     -10.5963      1.00000
     51     -10.5095      1.00000
     52     -10.2524      1.00000
     53     -10.2483      1.00000
     54     -10.1225      1.00000
     55     -10.0549      1.00000
     56     -10.0401      1.00000
     57      -9.7855      1.00000
     58      -9.6878      1.00000
     59      -9.6747      1.00000
     60      -9.6386      1.00000
     61      -9.6288      1.00000
     62      -9.5873      1.00000
     63      -9.2964      1.00000
     64      -9.2844      1.00000
     65      -9.2542      1.00000
     66      -9.0649      1.00000
     67      -8.8954      1.00000
     68      -8.8847      1.00000
     69      -8.7199      1.00000
     70      -8.5816      1.00000
     71      -8.5272      1.00000
     72      -8.3516      1.00000
     73      -8.3056      1.00000
     74      -8.2445      1.00000
     75      -8.2384      1.00000
     76      -8.1951      1.00000
     77      -8.1824      1.00000
     78      -8.1705      1.00000
     79      -8.1081      1.00000
     80      -7.6906      1.00000
     81      -7.4169      1.00000
     82      -7.3438      1.00000
     83      -7.2594      1.00000
     84      -7.1690      1.00000
     85      -7.1113      1.00000
     86      -7.0050      1.00000
     87      -6.9049      1.00000
     88      -6.8484      1.00000
     89      -6.5426      1.00000
     90      -6.4988      1.00000
     91      -6.2103      1.00000
     92      -6.2022      1.00000
     93      -5.8953      1.00000
     94      -5.6734      1.00000
     95      -5.6075      1.00000
     96      -5.5812      1.00000
     97      -5.2539      1.00000
     98      -5.2317      1.00000
     99      -5.1655      1.00000
    100      -5.1353      1.00000
    101      -4.5985      1.00000
    102      -4.2490      1.00000
    103      -4.0435      1.00000
    104      -3.8851      1.00000
    105      -3.8392      1.00000
    106      -3.8006      1.00000
    107      -1.8083      0.00000
    108      -1.7813      0.00000
    109      -1.2258      0.00000
    110      -1.1758      0.00000
    111      -0.9744      0.00000
    112      -0.7350      0.00000
    113      -0.6504      0.00000
    114      -0.5942      0.00000
    115      -0.5498      0.00000
    116      -0.1551      0.00000
    117       0.1761      0.00000
    118       0.2879      0.00000
    119       0.7012      0.00000
    120       0.9435      0.00000
    121       1.1683      0.00000
    122       1.2776      0.00000
    123       1.3395      0.00000
    124       1.5052      0.00000
    125       1.6040      0.00000
    126       1.6248      0.00000
    127       1.6906      0.00000
    128       1.7713      0.00000
    129       1.8527      0.00000
    130       2.0731      0.00000
    131       2.1575      0.00000
    132       2.3180      0.00000
    133       2.3856      0.00000
    134       2.4216      0.00000
    135       2.5481      0.00000
    136       2.6194      0.00000
    137       2.6845      0.00000
    138       2.7443      0.00000
    139       2.8082      0.00000
    140       2.9049      0.00000
    141       3.0467      0.00000
    142       3.0571      0.00000
    143       3.1748      0.00000
    144       3.2744      0.00000
    145       3.3724      0.00000
    146       3.4058      0.00000
    147       3.4547      0.00000
    148       3.5444      0.00000
    149       3.5668      0.00000
    150       3.6284      0.00000
    151       3.6579      0.00000
    152       3.7009      0.00000
    153       3.7806      0.00000
    154       3.7934      0.00000
    155       3.8167      0.00000
    156       3.8854      0.00000
    157       3.9004      0.00000
    158       3.9702      0.00000
    159       4.1846      0.00000
    160       4.2235      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0389   -7.2579    3.9828   -1.1318   -0.1851   17.3730    0.4897   -0.8147    0.7707   -0.4764
x    -3.1262   -0.0253   -0.0208   -0.0261    0.0909   -3.0537    0.0304   -0.0243    0.0084    0.0018
x    -0.0953   -0.0028    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   204.0389    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     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    0.0619    0.0183
y     0.0232   -3.2431   -0.1786    0.1698   -2.4132   -0.6650
z   204.0389    1.7440    0.2927    0.0880    0.0005    0.0706   -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    0.0988    0.0006   -0.0010   -0.0001   -0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0012   -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  -16.6071
z     0.1447    0.2354   -0.0294    0.0575   -0.0952    0.0006
 total charge-density along one line
x   212.0000  -10.0891    5.9297   -1.9408   -0.4207   19.2924   -0.6600    0.2077    0.0656   -0.1058
x    -2.7062   -0.0090    0.0016   -0.0450    0.0967   -2.3451    0.0478   -0.0343    0.0117    0.0024
x    -0.0854   -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  -10.0891    5.9297   -1.9408   -0.4207   19.2924   -0.6600    0.2077    0.0656   -0.1058
y    -2.7062   -0.0090    0.0016   -0.0450    0.0967   -2.3451    0.0478   -0.0343    0.0117    0.0024
y    -0.0854   -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 -205.3295  188.9257 -170.1960  154.0315 -140.2684  126.3282 -110.8571   94.6120  -78.9718
z    64.6307  -51.7151   40.4798  -31.4032   24.6501  -19.7167   15.7435  -12.1387    8.8656   -6.1911
z     4.2595   -2.9294    1.9403   -1.1415    0.5354   -0.1516   -0.0620    0.2136   -0.3680    0.5018
z    -0.5565    0.5181   -0.4346    0.3667   -0.3345    0.3162   -0.2845    0.2369   -0.1901    0.1569
z    -0.1349    0.1146   -0.0921    0.0715   -0.0576    0.0500   -0.0441    0.0370   -0.0295    0.0239
z    -0.0208    0.0186   -0.0160    0.0129   -0.0103    0.0084   -0.0068    0.0053   -0.0039    0.0028
z    -0.0020    0.0012   -0.0004   -0.0002    0.0004   -0.0004    0.0004   -0.0006    0.0007   -0.0007
z     0.0004   -0.0002    0.0001    0.0000    0.0000    0.0001   -0.0002    0.0003   -0.0003    0.0003
z    -0.0002    0.0002   -0.0002    0.0002   -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0000   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.939   0.000   0.041   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.267   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   0.237
  0.000  -0.101   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  -0.101   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  -0.101   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   0.593   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  -0.233  -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   0.107   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   0.559   0.000  -0.057   0.699  -0.291   0.000   0.088   0.000   0.000
  0.000   0.260   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  -0.109   0.031   0.000  -0.068   0.000   0.000
 -0.026   0.000  -0.233   0.000   0.011   0.192   0.000   0.699   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   0.191   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   0.088   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   0.275   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   1.781   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   1.783   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   1.783   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   2.647
 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       44.833  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  113.50: CPU time   57.31
    FORLOC:  VPU time    1.24: CPU time    1.24
    FORNL :  VPU time  441.86: CPU time  221.59
    STRESS:  VPU time 1356.67: CPU time  682.71
    FORCOR:  VPU time    8.57: CPU time    8.57
    FORHAR:  VPU time    2.29: CPU time    2.28
    MIXING:  VPU time    0.15: CPU time    0.16
 d Force = 0.2879620E-04[ 0.183E-04, 0.393E-04]  d Energy = 0.3741036E-04-0.861E-05
 d Force = 0.9668570E+00[ 0.967E+00, 0.967E+00]  d Ewald  = 0.1427792E+01-0.461E+00


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.645122 eV

  energy  without entropy=     -471.645122  energy(sigma->0) =     -471.645122
 

  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    40733.05  40749.16 -47433.33     13.95      0.00      0.00
  Hartree  40198.70  40201.89 -39451.70      2.76      0.00      0.00
  E(xc)     -779.76   -779.57   -807.28      0.17      0.00      0.00
  Local   -83224.90 -83238.03  84202.36    -11.37      0.00      0.00
  n-local   -215.85   -215.75   -203.92     -0.16      0.00      0.00
  augment     22.09     20.53     17.37     -1.36      0.00      0.00
  Kinetic   3168.93   3171.56   3582.25     -6.18      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.03     -0.05     -0.33     -0.02      0.00      0.00
  in kB       -0.02     -0.03     -0.20     -0.01      0.00      0.00
  external pressure =       -0.08 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
    12.346729522  0.001721249  0.000000000     0.080986592  0.046742647  0.000000000
    -6.171880758 10.693437868  0.000000000    -0.000013036  0.093507771  0.000000000
     0.000000000  0.000000000 19.979321702     0.000000000  0.000000000  0.050051749

  length of vectors
    12.346729642 12.346729346 19.979321702     0.093507770  0.093507772  0.050051749


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.409E-05 -.458E-04 -.960E+03   0.431E-05 -.274E-04 0.968E+03   0.848E-21 0.143E-23 -.789E+01   -.614E-07 0.287E-07 0.119E-01
   -.175E+02 -.304E+02 -.136E+03   0.184E+02 0.318E+02 0.138E+03   -.828E+00 -.143E+01 -.258E+01   -.175E-03 -.304E-03 -.857E-03
   0.175E+02 0.304E+02 -.136E+03   -.184E+02 -.318E+02 0.138E+03   0.828E+00 0.143E+01 -.258E+01   0.175E-03 0.304E-03 -.857E-03
   -.195E+01 0.112E+01 0.179E+02   0.196E+01 -.113E+01 -.179E+02   -.925E-02 0.534E-02 -.466E-02   0.118E-03 -.709E-04 0.138E-02
   0.577E+01 0.687E+01 0.206E+02   -.577E+01 -.690E+01 -.206E+02   0.651E-02 0.330E-01 -.155E-01   0.198E-04 -.101E-02 0.140E-02
   0.112E+02 0.504E+01 0.186E+02   -.112E+02 -.505E+01 -.185E+02   0.257E-01 0.728E-02 -.540E-01   -.109E-02 0.193E-02 -.380E-03
   0.453E+01 -.101E+01 0.163E+02   -.455E+01 0.103E+01 -.163E+02   0.201E-01 -.173E-01 -.320E-02   -.185E-03 0.542E-03 0.113E-03
   -.289E+01 -.239E+01 0.153E+02   0.291E+01 0.241E+01 -.153E+02   -.149E-01 -.151E-01 0.172E-02   0.113E-02 -.106E-04 -.464E-03
   0.626E+00 0.370E+01 0.153E+02   -.632E+00 -.372E+01 -.153E+02   0.567E-02 0.205E-01 0.172E-02   0.570E-03 -.981E-03 -.468E-03
   0.274E+01 0.181E+02 0.249E+02   -.275E+01 -.182E+02 -.248E+02   0.915E-02 0.111E+00 -.651E-02   -.547E-03 0.171E-02 -.216E-03
   0.214E+02 0.226E+02 0.393E+02   -.215E+02 -.228E+02 -.393E+02   0.118E+00 0.228E+00 -.203E-01   -.257E-02 -.159E-02 -.124E-02
   0.265E+02 -.447E+01 0.264E+02   -.267E+02 0.459E+01 -.264E+02   0.235E+00 -.119E+00 -.580E-01   -.129E-02 -.188E-03 -.589E-03
   0.914E+01 -.528E+01 0.155E+02   -.916E+01 0.529E+01 -.155E+02   0.182E-01 -.105E-01 0.443E-02   0.131E-02 -.760E-03 -.613E-04
   0.314E+01 -.342E+01 0.163E+02   -.316E+01 0.343E+01 -.163E+02   0.251E-01 -.873E-02 -.320E-02   -.564E-03 -.115E-03 0.104E-03
   -.602E+01 0.131E+02 0.199E+02   0.603E+01 -.132E+02 -.199E+02   -.665E-02 0.744E-01 -.901E-02   -.780E-03 -.117E-02 -.310E-03
   -.122E+02 0.334E+02 0.453E+02   0.123E+02 -.341E+02 -.456E+02   -.900E-01 0.679E+00 0.344E+00   0.514E-03 -.186E-02 -.101E-02
   0.263E+02 -.152E+02 0.689E+02   -.273E+02 0.158E+02 -.709E+02   0.968E+00 -.559E+00 0.210E+01   -.223E-02 0.128E-02 -.230E-02
   0.171E+02 -.207E+02 0.264E+02   -.173E+02 0.208E+02 -.264E+02   0.221E+00 -.144E+00 -.580E-01   -.485E-03 0.120E-02 -.594E-03
   0.125E+01 -.122E+02 0.186E+02   -.125E+01 0.123E+02 -.185E+02   0.655E-02 -.259E-01 -.540E-01   -.221E-02 -.231E-04 -.386E-03
   -.386E+01 0.156E+01 0.145E+02   0.386E+01 -.156E+01 -.145E+02   -.651E-02 0.234E-02 -.395E-01   0.209E-03 -.970E-03 -.160E-03
   -.182E+02 0.105E+02 0.205E+02   0.182E+02 -.105E+02 -.204E+02   -.654E-01 0.378E-01 -.129E+00   0.252E-02 -.145E-02 -.436E-03
   -.351E+02 -.612E+01 0.453E+02   0.357E+02 0.638E+01 -.456E+02   -.633E+00 -.261E+00 0.344E+00   0.188E-02 0.487E-03 -.101E-02
   -.885E+01 -.298E+02 0.393E+02   0.899E+01 0.300E+02 -.393E+02   -.139E+00 -.216E+00 -.203E-01   0.925E-04 0.301E-02 -.124E-02
   -.306E+01 -.843E+01 0.206E+02   0.309E+01 0.845E+01 -.206E+02   -.254E-01 -.222E-01 -.155E-01   0.886E-03 0.486E-03 0.140E-02
   0.126E+01 -.726E+00 0.152E+02   -.126E+01 0.725E+00 -.152E+02   -.130E-02 0.748E-03 -.336E-01   -.227E-03 0.133E-03 -.204E-03
   -.328E+01 0.256E+01 0.145E+02   0.328E+01 -.256E+01 -.145E+02   -.528E-02 0.446E-02 -.395E-01   0.947E-03 0.309E-03 -.155E-03
   -.144E+02 -.135E+01 0.199E+02   0.145E+02 0.138E+01 -.199E+02   -.677E-01 -.314E-01 -.901E-02   0.627E-03 0.126E-02 -.302E-03
   -.143E+02 -.114E+02 0.249E+02   0.144E+02 0.115E+02 -.248E+02   -.914E-01 -.633E-01 -.651E-02   -.176E-02 -.388E-03 -.213E-03
   0.306E+01 0.843E+01 0.206E+02   -.309E+01 -.845E+01 -.206E+02   0.254E-01 0.222E-01 -.155E-01   -.886E-03 -.486E-03 0.140E-02
   0.143E+02 0.114E+02 0.249E+02   -.144E+02 -.115E+02 -.248E+02   0.914E-01 0.633E-01 -.651E-02   0.176E-02 0.388E-03 -.213E-03
   0.144E+02 0.135E+01 0.199E+02   -.145E+02 -.138E+01 -.199E+02   0.677E-01 0.314E-01 -.901E-02   -.627E-03 -.126E-02 -.302E-03
   0.328E+01 -.256E+01 0.145E+02   -.328E+01 0.256E+01 -.145E+02   0.528E-02 -.446E-02 -.395E-01   -.947E-03 -.309E-03 -.155E-03
   -.126E+01 0.726E+00 0.152E+02   0.126E+01 -.725E+00 -.152E+02   0.130E-02 -.748E-03 -.336E-01   0.227E-03 -.133E-03 -.204E-03
   -.125E+01 0.122E+02 0.186E+02   0.125E+01 -.123E+02 -.185E+02   -.655E-02 0.259E-01 -.540E-01   0.221E-02 0.231E-04 -.386E-03
   0.885E+01 0.298E+02 0.393E+02   -.899E+01 -.300E+02 -.393E+02   0.139E+00 0.216E+00 -.203E-01   -.925E-04 -.301E-02 -.124E-02
   0.351E+02 0.612E+01 0.453E+02   -.357E+02 -.638E+01 -.456E+02   0.633E+00 0.261E+00 0.344E+00   -.188E-02 -.487E-03 -.101E-02
   0.182E+02 -.105E+02 0.205E+02   -.182E+02 0.105E+02 -.204E+02   0.654E-01 -.378E-01 -.129E+00   -.252E-02 0.145E-02 -.436E-03
   0.386E+01 -.156E+01 0.145E+02   -.386E+01 0.156E+01 -.145E+02   0.651E-02 -.234E-02 -.395E-01   -.209E-03 0.970E-03 -.160E-03
   -.314E+01 0.342E+01 0.163E+02   0.316E+01 -.343E+01 -.163E+02   -.251E-01 0.873E-02 -.320E-02   0.564E-03 0.115E-03 0.104E-03
   -.171E+02 0.207E+02 0.264E+02   0.173E+02 -.208E+02 -.264E+02   -.221E+00 0.144E+00 -.580E-01   0.485E-03 -.120E-02 -.594E-03
   -.263E+02 0.152E+02 0.689E+02   0.273E+02 -.158E+02 -.709E+02   -.968E+00 0.559E+00 0.210E+01   0.223E-02 -.128E-02 -.230E-02
   0.122E+02 -.334E+02 0.453E+02   -.123E+02 0.341E+02 -.456E+02   0.900E-01 -.679E+00 0.344E+00   -.514E-03 0.186E-02 -.101E-02
   0.602E+01 -.131E+02 0.199E+02   -.603E+01 0.132E+02 -.199E+02   0.665E-02 -.744E-01 -.901E-02   0.780E-03 0.117E-02 -.310E-03
   -.626E+00 -.370E+01 0.153E+02   0.632E+00 0.372E+01 -.153E+02   -.567E-02 -.205E-01 0.172E-02   -.570E-03 0.981E-03 -.468E-03
   -.914E+01 0.528E+01 0.155E+02   0.916E+01 -.529E+01 -.155E+02   -.182E-01 0.105E-01 0.443E-02   -.131E-02 0.760E-03 -.613E-04
   -.265E+02 0.447E+01 0.264E+02   0.267E+02 -.459E+01 -.264E+02   -.235E+00 0.119E+00 -.580E-01   0.129E-02 0.188E-03 -.589E-03
   -.214E+02 -.226E+02 0.393E+02   0.215E+02 0.228E+02 -.393E+02   -.118E+00 -.228E+00 -.203E-01   0.257E-02 0.159E-02 -.124E-02
   -.274E+01 -.181E+02 0.249E+02   0.275E+01 0.182E+02 -.248E+02   -.915E-02 -.111E+00 -.651E-02   0.547E-03 -.171E-02 -.216E-03
   0.195E+01 -.112E+01 0.179E+02   -.196E+01 0.113E+01 -.179E+02   0.925E-02 -.534E-02 -.466E-02   -.118E-03 0.709E-04 0.138E-02
   0.289E+01 0.239E+01 0.153E+02   -.291E+01 -.241E+01 -.153E+02   0.149E-01 0.151E-01 0.172E-02   -.113E-02 0.106E-04 -.464E-03
   -.453E+01 0.101E+01 0.163E+02   0.455E+01 -.103E+01 -.163E+02   -.201E-01 0.173E-01 -.320E-02   0.185E-03 -.542E-03 0.113E-03
   -.112E+02 -.504E+01 0.186E+02   0.112E+02 0.505E+01 -.185E+02   -.257E-01 -.728E-02 -.540E-01   0.109E-02 -.193E-02 -.380E-03
   -.577E+01 -.687E+01 0.206E+02   0.577E+01 0.690E+01 -.206E+02   -.651E-02 -.330E-01 -.155E-01   -.198E-04 0.101E-02 0.140E-02
 -----------------------------------------------------------------------------------------------
   -.183E-02 0.314E-03 0.864E+01   -.366E-12 -.179E-12 0.316E-12   0.168E-15 -.229E-15 -.862E+01   -.881E-07 0.474E-07 -.448E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85285      6.06036     12.32466         0.000000      0.000000      0.022126
      2.26086      6.76706     13.64376         0.001025      0.001775     -0.004963
      1.44484      5.35366     13.64376        -0.001025     -0.001775     -0.004963
      0.00058     -0.00034      9.93717        -0.000467      0.000270     -0.003290
     11.11155      2.13928      9.93938         0.000991     -0.000476      0.000186
      9.87612      4.27871      9.95407         0.000791     -0.002012     -0.000049
      8.64289      6.41784      9.95424         0.000289     -0.000179     -0.001111
     -4.93587      8.55483      9.94790        -0.001100     -0.000960     -0.000625
      2.47009     -0.00111      9.94790         0.000281      0.001433     -0.000625
      1.23471      2.13596      9.95351         0.000082      0.000438      0.000426
     -0.00394      4.27459      9.98497         0.001882     -0.001151     -0.002830
     -1.23825      6.41557      9.99149        -0.000839     -0.001196     -0.000926
     -2.46694      8.55439      9.96241         0.001080     -0.000623     -0.000768
      4.93828      0.00128      9.95424         0.000300     -0.000161     -0.001111
      3.70471      2.13644      9.96266        -0.001006      0.000472      0.001105
      2.47056      4.26287     10.02979         0.001975     -0.000169     -0.001484
      1.22840      6.42088     10.10152         0.002611     -0.001507      0.011291
     -0.00032      8.55973      9.99149         0.000617      0.001325     -0.000926
      7.40744      0.00284      9.95407         0.002138      0.000321     -0.000049
      6.17308      2.13997      9.95454         0.000084     -0.001060      0.001261
      4.94012      4.27793      9.98548        -0.001389      0.000802     -0.002324
      3.71838      6.42415     10.02979         0.001134     -0.001626     -0.001484
      2.47097      8.56127      9.98497         0.001938     -0.001054     -0.002830
      9.87796      0.00264      9.93938         0.000907     -0.000620      0.000186
      8.64217      2.14055      9.94332         0.000826     -0.000477     -0.002914
      7.40812      4.27913      9.95454         0.000960      0.000458      0.001261
      6.17700      6.41857      9.96266        -0.000912      0.000636      0.001105
      4.94241      8.55789      9.95351        -0.000338     -0.000290      0.000426
     -0.00038      1.42464      9.93938        -0.000907      0.000620      0.000186
     -1.23670      3.56284      9.95351         0.000338      0.000290      0.000426
     -2.47130      5.70216      9.96266         0.000912     -0.000636      0.001105
     -3.70242      7.84159      9.95454        -0.000960     -0.000458      0.001261
     -4.93647      9.98017      9.94332        -0.000826      0.000477     -0.002914
      2.47014      1.42445      9.95407        -0.002138     -0.000321     -0.000049
      1.23473      3.55945      9.98497        -0.001938      0.001054     -0.002830
     -0.01268      5.69657     10.02979        -0.001134      0.001626     -0.001484
     -1.23442      7.84279      9.98548         0.001389     -0.000802     -0.002324
     -2.46738      9.98075      9.95454        -0.000084      0.001060      0.001261
      4.93930      1.42601      9.95424        -0.000300      0.000161     -0.001111
      3.70602      3.56099      9.99149        -0.000617     -0.001325     -0.000926
      2.47730      5.69984     10.10152        -0.002611      0.001507      0.011291
      1.23514      7.85785     10.02979        -0.001975      0.000169     -0.001484
      0.00099      9.98428      9.96266         0.001006     -0.000472      0.001105
      7.40749      1.42839      9.94790        -0.000281     -0.001433     -0.000625
      6.17265      3.56633      9.96241        -0.001080      0.000623     -0.000768
      4.94395      5.70516      9.99149         0.000839      0.001196     -0.000926
      3.70964      7.84613      9.98497        -0.001882      0.001151     -0.002830
      2.47099      9.98476      9.95351        -0.000082     -0.000438      0.000426
      9.87700      1.42762      9.93717         0.000467     -0.000270     -0.003290
      8.64157      3.56589      9.94790         0.001100      0.000960     -0.000625
      7.40954      5.70460      9.95424        -0.000289      0.000179     -0.001111
      6.17631      7.84373      9.95407        -0.000791      0.002012     -0.000049
      4.94088      9.98316      9.93938        -0.000991      0.000476      0.000186
 -----------------------------------------------------------------------------------
    total drift:                               -0.001831      0.000314      0.006732


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


 Conjugate gradient step on ions:
 trial-energy change:   -0.000037  1 .order   -0.000030   -0.000040   -0.000020
  (g-gl).g = 0.154E-03      g.g   = 0.176E-03  gl.gl    = 0.243E-03
 g(Force)  = 0.158E-03   g(Stress)= 0.180E-04 ortho     = 0.897E-05
 gamma     =   0.63201
 trial     =   0.22141
 opt step  =   0.43558  (harmonic =   0.43558) maximal distance =0.00171995
 next E    =  -471.645124   (d E  =  -0.00004)


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


    WAVPRE:  VPU time    1.94: CPU time    1.94
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.34: CPU time    1.34
    ORTHCH:  VPU time  183.33: CPU time   91.80
     LOOP+:  VPU time 5444.11: CPU time 2798.15


----------------------------------------- Iteration   19(   1)  ---------------------------------------


    POTLOK:  VPU time    9.05: CPU time    9.01
    SETDIJ:  VPU time    0.33: CPU time    0.33
    EDDAV :  VPU time 1769.44: CPU time  912.92
 BZINTS: Fermi energy: -3.082247;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  113.39: CPU time   57.26
    MIXING:  VPU time    0.13: CPU time    0.13
    ------------------------------------------
      LOOP:  VPU time 1892.40: CPU time  979.68

 eigenvalue-minimisations  :  5808
 total energy-change (2. order) :-0.4716451E+03  (-0.4887265E-03)
 number of electron  212.0000066 magnetization    0.0000000
 augmentation part     7.9610652 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.14846E-02    rms(broyden)= 0.14843E-02
  rms(prec ) = 0.15865E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34047.51727297
  -1/2 Hartree   DENC   =    -40947.53495429
  -V(xc)+E(xc)   XCENC  =       726.62262651
  PAW double counting   =      4093.14224162    -4131.51748994
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.31468872
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64513824 eV

  energy without entropy =     -471.64513824  energy(sigma->0) =     -471.64513824


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




----------------------------------------- Iteration   19(   2)  ---------------------------------------


    POTLOK:  VPU time    9.01: CPU time    9.00
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1467.53: CPU time  758.32
 BZINTS: Fermi energy: -3.083098;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1476.96: CPU time  767.70

 eigenvalue-minimisations  :  4416
 total energy-change (2. order) :-0.4534202E-05  (-0.8316721E-05)
 number of electron  212.0000066 magnetization    0.0000000
 augmentation part     7.9610652 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34047.51727297
  -1/2 Hartree   DENC   =    -40947.50383490
  -V(xc)+E(xc)   XCENC  =       726.62245841
  PAW double counting   =      4093.12348031    -4131.49837392
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.34599925
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64514278 eV

  energy without entropy =     -471.64514278  energy(sigma->0) =     -471.64514278


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




 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 -58.5334       2 -39.9789       3 -39.9789       4 -58.2444       5 -58.2492
       6 -58.2564       7 -58.2473       8 -58.2452       9 -58.2452      10 -58.2614
      11 -58.3160      12 -58.2928      13 -58.2503      14 -58.2473      15 -58.2581
      16 -58.4378      17 -58.7307      18 -58.2928      19 -58.2564      20 -58.2506
      21 -58.2777      22 -58.4378      23 -58.3161      24 -58.2492      25 -58.2439
      26 -58.2506      27 -58.2581      28 -58.2614      29 -58.2491      30 -58.2613
      31 -58.2580      32 -58.2505      33 -58.2438      34 -58.2563      35 -58.3159
      36 -58.4377      37 -58.2776      38 -58.2505      39 -58.2472      40 -58.2927
      41 -58.7306      42 -58.4378      43 -58.2580      44 -58.2451      45 -58.2502
      46 -58.2927      47 -58.3160      48 -58.2613      49 -58.2443      50 -58.2451
      51 -58.2472      52 -58.2564      53 -58.2491
 
 
 
 E-fermi :  -3.0831     XC(G=0):  -2.3517     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     -22.3578      1.00000
      2     -21.5374      1.00000
      3     -21.4085      1.00000
      4     -21.4073      1.00000
      5     -21.3763      1.00000
      6     -21.3671      1.00000
      7     -21.3601      1.00000
      8     -19.6468      1.00000
      9     -19.5735      1.00000
     10     -19.5665      1.00000
     11     -19.5598      1.00000
     12     -19.5413      1.00000
     13     -19.5387      1.00000
     14     -18.7288      1.00000
     15     -18.6804      1.00000
     16     -18.6736      1.00000
     17     -18.6599      1.00000
     18     -18.6442      1.00000
     19     -18.6428      1.00000
     20     -16.5866      1.00000
     21     -16.5272      1.00000
     22     -16.5245      1.00000
     23     -16.5120      1.00000
     24     -16.4874      1.00000
     25     -16.4858      1.00000
     26     -15.5591      1.00000
     27     -15.5270      1.00000
     28     -15.5264      1.00000
     29     -15.5011      1.00000
     30     -15.4963      1.00000
     31     -15.4901      1.00000
     32     -14.2068      1.00000
     33     -14.1812      1.00000
     34     -14.1679      1.00000
     35     -14.1660      1.00000
     36     -14.1607      1.00000
     37     -14.1496      1.00000
     38     -11.8830      1.00000
     39     -11.8081      1.00000
     40     -11.7928      1.00000
     41     -11.7923      1.00000
     42     -11.7894      1.00000
     43     -11.7837      1.00000
     44     -11.7057      1.00000
     45     -11.6987      1.00000
     46     -11.6736      1.00000
     47     -11.6589      1.00000
     48     -11.6587      1.00000
     49     -11.6513      1.00000
     50     -10.6724      1.00000
     51     -10.3298      1.00000
     52     -10.3217      1.00000
     53     -10.3063      1.00000
     54     -10.3049      1.00000
     55     -10.2917      1.00000
     56     -10.2789      1.00000
     57      -9.9259      1.00000
     58      -9.3736      1.00000
     59      -9.3602      1.00000
     60      -9.3014      1.00000
     61      -9.2931      1.00000
     62      -9.2866      1.00000
     63      -9.0920      1.00000
     64      -9.0548      1.00000
     65      -9.0500      1.00000
     66      -9.0274      1.00000
     67      -9.0071      1.00000
     68      -9.0028      1.00000
     69      -9.0008      1.00000
     70      -8.9960      1.00000
     71      -8.9920      1.00000
     72      -8.9728      1.00000
     73      -8.9660      1.00000
     74      -8.9540      1.00000
     75      -8.4951      1.00000
     76      -7.5132      1.00000
     77      -7.4107      1.00000
     78      -7.4104      1.00000
     79      -7.3990      1.00000
     80      -7.3846      1.00000
     81      -7.3638      1.00000
     82      -7.3423      1.00000
     83      -7.3114      1.00000
     84      -7.2687      1.00000
     85      -7.2072      1.00000
     86      -7.1807      1.00000
     87      -7.1807      1.00000
     88      -7.0763      1.00000
     89      -6.5076      1.00000
     90      -6.4613      1.00000
     91      -6.3558      1.00000
     92      -6.2946      1.00000
     93      -6.2887      1.00000
     94      -6.2873      1.00000
     95      -5.8973      1.00000
     96      -5.8852      1.00000
     97      -5.0425      1.00000
     98      -4.9348      1.00000
     99      -4.5370      1.00000
    100      -4.3413      1.00000
    101      -4.3183      1.00000
    102      -4.3176      1.00000
    103      -4.1167      1.00000
    104      -3.9114      1.00000
    105      -3.9020      1.00000
    106      -3.8282      1.00000
    107      -1.6817      0.00000
    108      -1.6680      0.00000
    109      -1.5374      0.00000
    110      -1.5360      0.00000
    111      -1.5232      0.00000
    112      -1.5096      0.00000
    113      -0.5874      0.00000
    114       0.1329      0.00000
    115       0.2064      0.00000
    116       0.3248      0.00000
    117       0.3263      0.00000
    118       0.3335      0.00000
    119       0.4946      0.00000
    120       0.5913      0.00000
    121       1.2577      0.00000
    122       1.2667      0.00000
    123       1.5172      0.00000
    124       1.7879      0.00000
    125       1.8003      0.00000
    126       1.8035      0.00000
    127       1.8078      0.00000
    128       1.9449      0.00000
    129       1.9757      0.00000
    130       2.0321      0.00000
    131       2.0454      0.00000
    132       2.0505      0.00000
    133       2.0547      0.00000
    134       2.0570      0.00000
    135       2.3000      0.00000
    136       2.3215      0.00000
    137       2.6039      0.00000
    138       2.6114      0.00000
    139       2.6374      0.00000
    140       2.7081      0.00000
    141       2.8578      0.00000
    142       3.0221      0.00000
    143       3.0526      0.00000
    144       3.0771      0.00000
    145       3.0812      0.00000
    146       3.0858      0.00000
    147       3.0893      0.00000
    148       3.2208      0.00000
    149       3.4385      0.00000
    150       3.5346      0.00000
    151       3.7853      0.00000
    152       3.9349      0.00000
    153       3.9349      0.00000
    154       3.9402      0.00000
    155       3.9506      0.00000
    156       3.9959      0.00000
    157       4.1723      0.00000
    158       4.2592      0.00000
    159       4.2835      0.00000
    160       4.2839      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3212      1.00000
      2     -21.7625      1.00000
      3     -21.5720      1.00000
      4     -21.5392      1.00000
      5     -21.2089      1.00000
      6     -21.1642      1.00000
      7     -20.9885      1.00000
      8     -20.1028      1.00000
      9     -20.0589      1.00000
     10     -19.5473      1.00000
     11     -19.5227      1.00000
     12     -19.3502      1.00000
     13     -19.0257      1.00000
     14     -18.9905      1.00000
     15     -18.9826      1.00000
     16     -18.9704      1.00000
     17     -18.2983      1.00000
     18     -18.2791      1.00000
     19     -17.9531      1.00000
     20     -17.0104      1.00000
     21     -16.9605      1.00000
     22     -16.8796      1.00000
     23     -16.8693      1.00000
     24     -16.4055      1.00000
     25     -16.3906      1.00000
     26     -15.5528      1.00000
     27     -15.5367      1.00000
     28     -15.1985      1.00000
     29     -15.1700      1.00000
     30     -15.1156      1.00000
     31     -15.0284      1.00000
     32     -15.0040      1.00000
     33     -14.6370      1.00000
     34     -14.6253      1.00000
     35     -13.6680      1.00000
     36     -13.6527      1.00000
     37     -13.1703      1.00000
     38     -12.5512      1.00000
     39     -12.5184      1.00000
     40     -12.3920      1.00000
     41     -12.3790      1.00000
     42     -12.0576      1.00000
     43     -12.0349      1.00000
     44     -11.6598      1.00000
     45     -11.6179      1.00000
     46     -11.1808      1.00000
     47     -11.1571      1.00000
     48     -10.9653      1.00000
     49     -10.9415      1.00000
     50     -10.8741      1.00000
     51     -10.8380      1.00000
     52     -10.6022      1.00000
     53     -10.0937      1.00000
     54     -10.0893      1.00000
     55     -10.0459      1.00000
     56      -9.9712      1.00000
     57      -9.6548      1.00000
     58      -9.6300      1.00000
     59      -9.5930      1.00000
     60      -9.5301      1.00000
     61      -9.5110      1.00000
     62      -9.4800      1.00000
     63      -9.2647      1.00000
     64      -9.2419      1.00000
     65      -9.2216      1.00000
     66      -9.1669      1.00000
     67      -9.0694      1.00000
     68      -9.0478      1.00000
     69      -9.0414      1.00000
     70      -8.8837      1.00000
     71      -8.8066      1.00000
     72      -8.5770      1.00000
     73      -8.5225      1.00000
     74      -8.4588      1.00000
     75      -8.0355      1.00000
     76      -7.8112      1.00000
     77      -7.8074      1.00000
     78      -7.7931      1.00000
     79      -7.7007      1.00000
     80      -7.6914      1.00000
     81      -7.3637      1.00000
     82      -7.2743      1.00000
     83      -7.2646      1.00000
     84      -7.2163      1.00000
     85      -7.1732      1.00000
     86      -7.0094      1.00000
     87      -6.9476      1.00000
     88      -6.7461      1.00000
     89      -6.6728      1.00000
     90      -6.5952      1.00000
     91      -6.5602      1.00000
     92      -6.0505      1.00000
     93      -6.0469      1.00000
     94      -6.0217      1.00000
     95      -5.9595      1.00000
     96      -5.7371      1.00000
     97      -5.1523      1.00000
     98      -4.9881      1.00000
     99      -4.7184      1.00000
    100      -4.6114      1.00000
    101      -4.4392      1.00000
    102      -4.3731      1.00000
    103      -4.1215      1.00000
    104      -3.8677      1.00000
    105      -3.8289      1.00000
    106      -3.7909      1.00000
    107      -1.7855      0.00000
    108      -1.7390      0.00000
    109      -1.3948      0.00000
    110      -1.3466      0.00000
    111      -1.2649      0.00000
    112      -1.2264      0.00000
    113      -0.7459      0.00000
    114      -0.3804      0.00000
    115      -0.2206      0.00000
    116      -0.0200      0.00000
    117       0.5864      0.00000
    118       0.7354      0.00000
    119       0.7641      0.00000
    120       1.0497      0.00000
    121       1.1412      0.00000
    122       1.2491      0.00000
    123       1.2674      0.00000
    124       1.4104      0.00000
    125       1.4754      0.00000
    126       1.5768      0.00000
    127       1.7520      0.00000
    128       1.8371      0.00000
    129       1.8945      0.00000
    130       1.9572      0.00000
    131       2.0995      0.00000
    132       2.2281      0.00000
    133       2.2453      0.00000
    134       2.2891      0.00000
    135       2.4858      0.00000
    136       2.6039      0.00000
    137       2.6283      0.00000
    138       2.7613      0.00000
    139       2.7834      0.00000
    140       2.8523      0.00000
    141       2.8624      0.00000
    142       2.8908      0.00000
    143       2.9523      0.00000
    144       3.0733      0.00000
    145       3.2760      0.00000
    146       3.2933      0.00000
    147       3.3679      0.00000
    148       3.3995      0.00000
    149       3.4598      0.00000
    150       3.5741      0.00000
    151       3.6266      0.00000
    152       3.6647      0.00000
    153       3.7016      0.00000
    154       3.8979      0.00000
    155       3.9322      0.00000
    156       3.9763      0.00000
    157       4.0743      0.00000
    158       4.1928      0.00000
    159       4.2367      0.00000
    160       4.2900      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2154      1.00000
      2     -22.0093      1.00000
      3     -21.6506      1.00000
      4     -21.6136      1.00000
      5     -20.9141      1.00000
      6     -20.8680      1.00000
      7     -20.5468      1.00000
      8     -20.5076      1.00000
      9     -20.4973      1.00000
     10     -19.9648      1.00000
     11     -19.4434      1.00000
     12     -19.4165      1.00000
     13     -19.2428      1.00000
     14     -19.2283      1.00000
     15     -18.3851      1.00000
     16     -18.3410      1.00000
     17     -17.8609      1.00000
     18     -17.8399      1.00000
     19     -17.6989      1.00000
     20     -17.6564      1.00000
     21     -17.3730      1.00000
     22     -17.3569      1.00000
     23     -17.2754      1.00000
     24     -16.4019      1.00000
     25     -16.3872      1.00000
     26     -15.8976      1.00000
     27     -15.3534      1.00000
     28     -15.3381      1.00000
     29     -15.0355      1.00000
     30     -15.0218      1.00000
     31     -14.8004      1.00000
     32     -14.7757      1.00000
     33     -14.2225      1.00000
     34     -14.1908      1.00000
     35     -13.3714      1.00000
     36     -13.3381      1.00000
     37     -13.1205      1.00000
     38     -13.1031      1.00000
     39     -12.9175      1.00000
     40     -12.9040      1.00000
     41     -12.5573      1.00000
     42     -12.5394      1.00000
     43     -12.1338      1.00000
     44     -11.5224      1.00000
     45     -11.4748      1.00000
     46     -11.2543      1.00000
     47     -11.2206      1.00000
     48     -11.0801      1.00000
     49     -10.6582      1.00000
     50     -10.5890      1.00000
     51     -10.5233      1.00000
     52     -10.2586      1.00000
     53     -10.2498      1.00000
     54     -10.1234      1.00000
     55     -10.0496      1.00000
     56     -10.0413      1.00000
     57      -9.7701      1.00000
     58      -9.7059      1.00000
     59      -9.6807      1.00000
     60      -9.6313      1.00000
     61      -9.6274      1.00000
     62      -9.5890      1.00000
     63      -9.2950      1.00000
     64      -9.2859      1.00000
     65      -9.2538      1.00000
     66      -9.0868      1.00000
     67      -8.8978      1.00000
     68      -8.8843      1.00000
     69      -8.7258      1.00000
     70      -8.5889      1.00000
     71      -8.5146      1.00000
     72      -8.3317      1.00000
     73      -8.3033      1.00000
     74      -8.2651      1.00000
     75      -8.2334      1.00000
     76      -8.1958      1.00000
     77      -8.1864      1.00000
     78      -8.1712      1.00000
     79      -8.1006      1.00000
     80      -7.6893      1.00000
     81      -7.3563      1.00000
     82      -7.3103      1.00000
     83      -7.2655      1.00000
     84      -7.1871      1.00000
     85      -7.1254      1.00000
     86      -7.0775      1.00000
     87      -6.9076      1.00000
     88      -6.8834      1.00000
     89      -6.5496      1.00000
     90      -6.4928      1.00000
     91      -6.2098      1.00000
     92      -6.0691      1.00000
     93      -5.9415      1.00000
     94      -5.7141      1.00000
     95      -5.6333      1.00000
     96      -5.4525      1.00000
     97      -5.3049      1.00000
     98      -5.2348      1.00000
     99      -5.1527      1.00000
    100      -5.1522      1.00000
    101      -4.5200      1.00000
    102      -4.4695      1.00000
    103      -4.1403      1.00000
    104      -3.8319      1.00000
    105      -3.7570      1.00000
    106      -3.6808      1.00000
    107      -1.8713      0.00000
    108      -1.8245      0.00000
    109      -1.2774      0.00000
    110      -1.0366      0.00000
    111      -1.0123      0.00000
    112      -0.7129      0.00000
    113      -0.6403      0.00000
    114      -0.5886      0.00000
    115      -0.5463      0.00000
    116      -0.2050      0.00000
    117       0.2522      0.00000
    118       0.2785      0.00000
    119       0.7557      0.00000
    120       0.9412      0.00000
    121       1.1311      0.00000
    122       1.2247      0.00000
    123       1.3180      0.00000
    124       1.4083      0.00000
    125       1.5971      0.00000
    126       1.6331      0.00000
    127       1.6954      0.00000
    128       1.8211      0.00000
    129       1.9116      0.00000
    130       2.0058      0.00000
    131       2.0960      0.00000
    132       2.3192      0.00000
    133       2.3943      0.00000
    134       2.4276      0.00000
    135       2.5325      0.00000
    136       2.6313      0.00000
    137       2.7489      0.00000
    138       2.8074      0.00000
    139       2.8281      0.00000
    140       2.8835      0.00000
    141       3.0363      0.00000
    142       3.0860      0.00000
    143       3.1797      0.00000
    144       3.2306      0.00000
    145       3.3768      0.00000
    146       3.4182      0.00000
    147       3.4754      0.00000
    148       3.5682      0.00000
    149       3.5940      0.00000
    150       3.6249      0.00000
    151       3.6475      0.00000
    152       3.7372      0.00000
    153       3.7631      0.00000
    154       3.7782      0.00000
    155       3.7976      0.00000
    156       3.8867      0.00000
    157       3.9715      0.00000
    158       3.9984      0.00000
    159       4.1692      0.00000
    160       4.2289      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2493      1.00000
      2     -21.8947      1.00000
      3     -21.8247      1.00000
      4     -21.3129      1.00000
      5     -21.2828      1.00000
      6     -20.7715      1.00000
      7     -20.7061      1.00000
      8     -20.5574      1.00000
      9     -20.0098      1.00000
     10     -20.0027      1.00000
     11     -19.6489      1.00000
     12     -19.6248      1.00000
     13     -18.9303      1.00000
     14     -18.9222      1.00000
     15     -18.5713      1.00000
     16     -18.5577      1.00000
     17     -18.3949      1.00000
     18     -17.6155      1.00000
     19     -17.5597      1.00000
     20     -17.5545      1.00000
     21     -17.5131      1.00000
     22     -17.0563      1.00000
     23     -17.0391      1.00000
     24     -16.8918      1.00000
     25     -15.9300      1.00000
     26     -15.8684      1.00000
     27     -15.5175      1.00000
     28     -15.5163      1.00000
     29     -15.2293      1.00000
     30     -14.7949      1.00000
     31     -14.7681      1.00000
     32     -14.5158      1.00000
     33     -14.4719      1.00000
     34     -14.1025      1.00000
     35     -14.0912      1.00000
     36     -13.0765      1.00000
     37     -13.0336      1.00000
     38     -12.9676      1.00000
     39     -12.9554      1.00000
     40     -12.6456      1.00000
     41     -12.6395      1.00000
     42     -12.2748      1.00000
     43     -12.2436      1.00000
     44     -11.5874      1.00000
     45     -11.5610      1.00000
     46     -11.5073      1.00000
     47     -10.9045      1.00000
     48     -10.8515      1.00000
     49     -10.6207      1.00000
     50     -10.5591      1.00000
     51     -10.4849      1.00000
     52     -10.4341      1.00000
     53     -10.4244      1.00000
     54     -10.3712      1.00000
     55     -10.2944      1.00000
     56     -10.0657      1.00000
     57      -9.8345      1.00000
     58      -9.5484      1.00000
     59      -9.4893      1.00000
     60      -9.4699      1.00000
     61      -9.3469      1.00000
     62      -9.3314      1.00000
     63      -9.3110      1.00000
     64      -9.3088      1.00000
     65      -9.2152      1.00000
     66      -9.1119      1.00000
     67      -9.0811      1.00000
     68      -9.0503      1.00000
     69      -8.8477      1.00000
     70      -8.7935      1.00000
     71      -8.7743      1.00000
     72      -8.5282      1.00000
     73      -8.4757      1.00000
     74      -8.2216      1.00000
     75      -8.1108      1.00000
     76      -8.0994      1.00000
     77      -7.8080      1.00000
     78      -7.7839      1.00000
     79      -7.7813      1.00000
     80      -7.6739      1.00000
     81      -7.6315      1.00000
     82      -7.6309      1.00000
     83      -7.4017      1.00000
     84      -7.3254      1.00000
     85      -7.2008      1.00000
     86      -6.8401      1.00000
     87      -6.8289      1.00000
     88      -6.6605      1.00000
     89      -6.5392      1.00000
     90      -6.3444      1.00000
     91      -6.3075      1.00000
     92      -6.1850      1.00000
     93      -6.1475      1.00000
     94      -5.9780      1.00000
     95      -5.5720      1.00000
     96      -5.4267      1.00000
     97      -5.2594      1.00000
     98      -5.2466      1.00000
     99      -5.1495      1.00000
    100      -4.6954      1.00000
    101      -4.6651      1.00000
    102      -4.3493      1.00000
    103      -4.3128      1.00000
    104      -3.9630      1.00000
    105      -3.8246      1.00000
    106      -3.3907      1.00000
    107      -2.2207      0.00000
    108      -1.3771      0.00000
    109      -1.2870      0.00000
    110      -1.1735      0.00000
    111      -1.0781      0.00000
    112      -0.8942      0.00000
    113      -0.7684      0.00000
    114      -0.7578      0.00000
    115      -0.2212      0.00000
    116       0.1125      0.00000
    117       0.2639      0.00000
    118       0.3460      0.00000
    119       0.7299      0.00000
    120       0.9040      0.00000
    121       0.9710      0.00000
    122       1.0914      0.00000
    123       1.2019      0.00000
    124       1.5268      0.00000
    125       1.5582      0.00000
    126       1.7066      0.00000
    127       1.8376      0.00000
    128       1.8618      0.00000
    129       1.9617      0.00000
    130       1.9904      0.00000
    131       2.1528      0.00000
    132       2.2617      0.00000
    133       2.4499      0.00000
    134       2.4536      0.00000
    135       2.5028      0.00000
    136       2.6655      0.00000
    137       2.6845      0.00000
    138       2.7278      0.00000
    139       2.7388      0.00000
    140       2.8845      0.00000
    141       3.0175      0.00000
    142       3.0765      0.00000
    143       3.1921      0.00000
    144       3.2436      0.00000
    145       3.2473      0.00000
    146       3.2594      0.00000
    147       3.3492      0.00000
    148       3.4735      0.00000
    149       3.5234      0.00000
    150       3.6938      0.00000
    151       3.7415      0.00000
    152       3.7704      0.00000
    153       3.8283      0.00000
    154       3.8704      0.00000
    155       3.9367      0.00000
    156       3.9823      0.00000
    157       4.0193      0.00000
    158       4.0336      0.00000
    159       4.0470      0.00000
    160       4.1119      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1430      1.00000
      2     -22.0484      1.00000
      3     -21.8881      1.00000
      4     -21.3360      1.00000
      5     -20.9829      1.00000
      6     -20.9447      1.00000
      7     -20.4344      1.00000
      8     -20.3921      1.00000
      9     -20.2278      1.00000
     10     -20.2066      1.00000
     11     -19.8902      1.00000
     12     -19.8228      1.00000
     13     -18.8158      1.00000
     14     -18.7449      1.00000
     15     -18.2908      1.00000
     16     -18.2376      1.00000
     17     -18.0869      1.00000
     18     -18.0669      1.00000
     19     -17.7625      1.00000
     20     -17.7202      1.00000
     21     -17.1896      1.00000
     22     -17.1706      1.00000
     23     -17.1006      1.00000
     24     -17.0647      1.00000
     25     -16.0391      1.00000
     26     -15.8238      1.00000
     27     -15.8007      1.00000
     28     -15.7655      1.00000
     29     -15.1745      1.00000
     30     -14.4917      1.00000
     31     -14.4593      1.00000
     32     -14.2186      1.00000
     33     -13.8959      1.00000
     34     -13.8909      1.00000
     35     -13.7566      1.00000
     36     -13.7364      1.00000
     37     -13.5524      1.00000
     38     -13.5039      1.00000
     39     -13.3014      1.00000
     40     -12.5655      1.00000
     41     -12.1255      1.00000
     42     -12.0667      1.00000
     43     -12.0109      1.00000
     44     -11.9525      1.00000
     45     -11.6114      1.00000
     46     -11.5887      1.00000
     47     -11.0851      1.00000
     48     -11.0525      1.00000
     49     -10.7529      1.00000
     50     -10.6646      1.00000
     51     -10.5250      1.00000
     52     -10.1494      1.00000
     53     -10.1392      1.00000
     54     -10.0975      1.00000
     55      -9.9536      1.00000
     56      -9.9489      1.00000
     57      -9.9182      1.00000
     58      -9.7381      1.00000
     59      -9.7321      1.00000
     60      -9.7010      1.00000
     61      -9.6910      1.00000
     62      -9.4291      1.00000
     63      -9.3637      1.00000
     64      -9.0857      1.00000
     65      -9.0073      1.00000
     66      -8.9753      1.00000
     67      -8.8885      1.00000
     68      -8.8124      1.00000
     69      -8.6582      1.00000
     70      -8.6356      1.00000
     71      -8.5781      1.00000
     72      -8.4788      1.00000
     73      -8.4681      1.00000
     74      -8.3987      1.00000
     75      -8.3950      1.00000
     76      -8.1848      1.00000
     77      -8.1144      1.00000
     78      -7.9783      1.00000
     79      -7.9155      1.00000
     80      -7.8473      1.00000
     81      -7.6174      1.00000
     82      -7.5313      1.00000
     83      -7.4693      1.00000
     84      -7.2574      1.00000
     85      -6.9343      1.00000
     86      -6.8583      1.00000
     87      -6.8116      1.00000
     88      -6.5730      1.00000
     89      -6.4671      1.00000
     90      -6.4205      1.00000
     91      -6.3576      1.00000
     92      -6.0511      1.00000
     93      -5.8775      1.00000
     94      -5.7535      1.00000
     95      -5.7223      1.00000
     96      -5.4761      1.00000
     97      -5.3458      1.00000
     98      -5.1807      1.00000
     99      -5.1567      1.00000
    100      -5.1552      1.00000
    101      -4.7068      1.00000
    102      -4.4401      1.00000
    103      -4.2535      1.00000
    104      -3.9940      1.00000
    105      -3.8235      1.00000
    106      -3.1571      1.00000
    107      -2.4637      0.00000
    108      -1.3789      0.00000
    109      -1.2415      0.00000
    110      -1.1468      0.00000
    111      -1.1150      0.00000
    112      -0.5647      0.00000
    113      -0.4349      0.00000
    114      -0.4304      0.00000
    115      -0.3105      0.00000
    116      -0.1907      0.00000
    117       0.0616      0.00000
    118       0.1160      0.00000
    119       0.5397      0.00000
    120       0.6836      0.00000
    121       0.8675      0.00000
    122       0.9629      0.00000
    123       1.1061      0.00000
    124       1.4909      0.00000
    125       1.6575      0.00000
    126       1.7944      0.00000
    127       1.8682      0.00000
    128       2.0870      0.00000
    129       2.1278      0.00000
    130       2.1899      0.00000
    131       2.2119      0.00000
    132       2.3399      0.00000
    133       2.3538      0.00000
    134       2.4835      0.00000
    135       2.5742      0.00000
    136       2.6642      0.00000
    137       2.8769      0.00000
    138       2.9371      0.00000
    139       2.9618      0.00000
    140       2.9843      0.00000
    141       3.0333      0.00000
    142       3.1461      0.00000
    143       3.1756      0.00000
    144       3.2361      0.00000
    145       3.2862      0.00000
    146       3.3300      0.00000
    147       3.3480      0.00000
    148       3.3772      0.00000
    149       3.3979      0.00000
    150       3.4915      0.00000
    151       3.5410      0.00000
    152       3.6211      0.00000
    153       3.6863      0.00000
    154       3.7035      0.00000
    155       3.7156      0.00000
    156       3.9165      0.00000
    157       3.9298      0.00000
    158       4.0495      0.00000
    159       4.0814      0.00000
    160       4.1914      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2491      1.00000
      2     -21.8964      1.00000
      3     -21.8230      1.00000
      4     -21.3174      1.00000
      5     -21.2789      1.00000
      6     -20.7727      1.00000
      7     -20.7039      1.00000
      8     -20.5558      1.00000
      9     -20.0239      1.00000
     10     -19.9918      1.00000
     11     -19.6514      1.00000
     12     -19.6205      1.00000
     13     -18.9443      1.00000
     14     -18.9098      1.00000
     15     -18.5852      1.00000
     16     -18.5477      1.00000
     17     -18.3931      1.00000
     18     -17.6026      1.00000
     19     -17.5714      1.00000
     20     -17.5422      1.00000
     21     -17.5094      1.00000
     22     -17.0752      1.00000
     23     -17.0284      1.00000
     24     -16.9010      1.00000
     25     -15.9461      1.00000
     26     -15.8522      1.00000
     27     -15.5341      1.00000
     28     -15.5077      1.00000
     29     -15.2100      1.00000
     30     -14.8145      1.00000
     31     -14.7622      1.00000
     32     -14.5102      1.00000
     33     -14.4684      1.00000
     34     -14.0970      1.00000
     35     -14.0939      1.00000
     36     -13.1049      1.00000
     37     -13.0308      1.00000
     38     -12.9573      1.00000
     39     -12.9501      1.00000
     40     -12.6562      1.00000
     41     -12.6280      1.00000
     42     -12.2751      1.00000
     43     -12.2481      1.00000
     44     -11.5734      1.00000
     45     -11.5540      1.00000
     46     -11.5015      1.00000
     47     -10.8783      1.00000
     48     -10.8693      1.00000
     49     -10.6806      1.00000
     50     -10.5255      1.00000
     51     -10.5203      1.00000
     52     -10.4343      1.00000
     53     -10.4168      1.00000
     54     -10.3706      1.00000
     55     -10.2886      1.00000
     56     -10.0613      1.00000
     57      -9.8332      1.00000
     58      -9.5590      1.00000
     59      -9.4850      1.00000
     60      -9.4445      1.00000
     61      -9.3563      1.00000
     62      -9.3397      1.00000
     63      -9.3083      1.00000
     64      -9.3031      1.00000
     65      -9.2069      1.00000
     66      -9.0998      1.00000
     67      -9.0689      1.00000
     68      -9.0496      1.00000
     69      -8.8506      1.00000
     70      -8.7975      1.00000
     71      -8.7784      1.00000
     72      -8.5278      1.00000
     73      -8.4968      1.00000
     74      -8.2265      1.00000
     75      -8.1297      1.00000
     76      -8.0935      1.00000
     77      -7.8067      1.00000
     78      -7.7677      1.00000
     79      -7.7404      1.00000
     80      -7.7034      1.00000
     81      -7.6359      1.00000
     82      -7.6247      1.00000
     83      -7.3884      1.00000
     84      -7.3448      1.00000
     85      -7.2202      1.00000
     86      -6.8435      1.00000
     87      -6.8211      1.00000
     88      -6.6390      1.00000
     89      -6.5300      1.00000
     90      -6.3416      1.00000
     91      -6.2733      1.00000
     92      -6.1956      1.00000
     93      -6.1323      1.00000
     94      -6.0207      1.00000
     95      -5.6351      1.00000
     96      -5.5085      1.00000
     97      -5.2981      1.00000
     98      -5.1566      1.00000
     99      -5.0396      1.00000
    100      -4.7251      1.00000
    101      -4.6856      1.00000
    102      -4.3679      1.00000
    103      -4.1840      1.00000
    104      -4.0069      1.00000
    105      -3.8230      1.00000
    106      -3.4849      1.00000
    107      -2.1650      0.00000
    108      -1.3835      0.00000
    109      -1.2359      0.00000
    110      -1.1852      0.00000
    111      -1.0147      0.00000
    112      -0.9564      0.00000
    113      -0.7977      0.00000
    114      -0.7524      0.00000
    115      -0.3679      0.00000
    116       0.2451      0.00000
    117       0.2764      0.00000
    118       0.3637      0.00000
    119       0.6958      0.00000
    120       0.8679      0.00000
    121       0.9655      0.00000
    122       1.1222      0.00000
    123       1.2313      0.00000
    124       1.4514      0.00000
    125       1.5494      0.00000
    126       1.7786      0.00000
    127       1.8493      0.00000
    128       1.8799      0.00000
    129       1.9794      0.00000
    130       2.0234      0.00000
    131       2.1903      0.00000
    132       2.2057      0.00000
    133       2.3973      0.00000
    134       2.4418      0.00000
    135       2.5473      0.00000
    136       2.6575      0.00000
    137       2.6843      0.00000
    138       2.7246      0.00000
    139       2.7619      0.00000
    140       2.8459      0.00000
    141       2.9610      0.00000
    142       3.0732      0.00000
    143       3.1851      0.00000
    144       3.2303      0.00000
    145       3.2488      0.00000
    146       3.2855      0.00000
    147       3.3216      0.00000
    148       3.4731      0.00000
    149       3.5030      0.00000
    150       3.7013      0.00000
    151       3.7172      0.00000
    152       3.7696      0.00000
    153       3.8550      0.00000
    154       3.8685      0.00000
    155       3.8937      0.00000
    156       3.9922      0.00000
    157       3.9949      0.00000
    158       4.0390      0.00000
    159       4.0570      0.00000
    160       4.0832      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3211      1.00000
      2     -21.7629      1.00000
      3     -21.5692      1.00000
      4     -21.5420      1.00000
      5     -21.2065      1.00000
      6     -21.1675      1.00000
      7     -20.9871      1.00000
      8     -20.0999      1.00000
      9     -20.0611      1.00000
     10     -19.5472      1.00000
     11     -19.5277      1.00000
     12     -19.3460      1.00000
     13     -19.0289      1.00000
     14     -18.9892      1.00000
     15     -18.9789      1.00000
     16     -18.9733      1.00000
     17     -18.2968      1.00000
     18     -18.2838      1.00000
     19     -17.9472      1.00000
     20     -17.0012      1.00000
     21     -16.9602      1.00000
     22     -16.8834      1.00000
     23     -16.8707      1.00000
     24     -16.4169      1.00000
     25     -16.3942      1.00000
     26     -15.5419      1.00000
     27     -15.5386      1.00000
     28     -15.1739      1.00000
     29     -15.1719      1.00000
     30     -15.1318      1.00000
     31     -15.0371      1.00000
     32     -15.0022      1.00000
     33     -14.6345      1.00000
     34     -14.6273      1.00000
     35     -13.6637      1.00000
     36     -13.6536      1.00000
     37     -13.1716      1.00000
     38     -12.5729      1.00000
     39     -12.5141      1.00000
     40     -12.3868      1.00000
     41     -12.3860      1.00000
     42     -12.0360      1.00000
     43     -12.0316      1.00000
     44     -11.6558      1.00000
     45     -11.6157      1.00000
     46     -11.2059      1.00000
     47     -11.1580      1.00000
     48     -10.9555      1.00000
     49     -10.9431      1.00000
     50     -10.8613      1.00000
     51     -10.8292      1.00000
     52     -10.6240      1.00000
     53     -10.1465      1.00000
     54     -10.0850      1.00000
     55     -10.0256      1.00000
     56      -9.9463      1.00000
     57      -9.6320      1.00000
     58      -9.6300      1.00000
     59      -9.6037      1.00000
     60      -9.5412      1.00000
     61      -9.5036      1.00000
     62      -9.4804      1.00000
     63      -9.2729      1.00000
     64      -9.2361      1.00000
     65      -9.2079      1.00000
     66      -9.1803      1.00000
     67      -9.0635      1.00000
     68      -9.0476      1.00000
     69      -9.0439      1.00000
     70      -8.8780      1.00000
     71      -8.8095      1.00000
     72      -8.5347      1.00000
     73      -8.5337      1.00000
     74      -8.4989      1.00000
     75      -8.0312      1.00000
     76      -7.8321      1.00000
     77      -7.8002      1.00000
     78      -7.7749      1.00000
     79      -7.7034      1.00000
     80      -7.6852      1.00000
     81      -7.4140      1.00000
     82      -7.2877      1.00000
     83      -7.2526      1.00000
     84      -7.2033      1.00000
     85      -7.0815      1.00000
     86      -7.0765      1.00000
     87      -6.9386      1.00000
     88      -6.7113      1.00000
     89      -6.6747      1.00000
     90      -6.6300      1.00000
     91      -6.5581      1.00000
     92      -6.0714      1.00000
     93      -6.0318      1.00000
     94      -6.0011      1.00000
     95      -5.9387      1.00000
     96      -5.7996      1.00000
     97      -5.1785      1.00000
     98      -4.8930      1.00000
     99      -4.7932      1.00000
    100      -4.6111      1.00000
    101      -4.5122      1.00000
    102      -4.1392      1.00000
    103      -4.0916      1.00000
    104      -3.9316      1.00000
    105      -3.9156      1.00000
    106      -3.8224      1.00000
    107      -1.7522      0.00000
    108      -1.6965      0.00000
    109      -1.4106      0.00000
    110      -1.3713      0.00000
    111      -1.2649      0.00000
    112      -1.2366      0.00000
    113      -0.6252      0.00000
    114      -0.5989      0.00000
    115      -0.1903      0.00000
    116       0.0407      0.00000
    117       0.5802      0.00000
    118       0.7401      0.00000
    119       0.8494      0.00000
    120       0.9266      0.00000
    121       1.1673      0.00000
    122       1.2091      0.00000
    123       1.2444      0.00000
    124       1.4141      0.00000
    125       1.5951      0.00000
    126       1.6307      0.00000
    127       1.7008      0.00000
    128       1.7996      0.00000
    129       1.9210      0.00000
    130       1.9403      0.00000
    131       2.1390      0.00000
    132       2.1689      0.00000
    133       2.2573      0.00000
    134       2.2942      0.00000
    135       2.5374      0.00000
    136       2.5521      0.00000
    137       2.6265      0.00000
    138       2.7559      0.00000
    139       2.7962      0.00000
    140       2.8392      0.00000
    141       2.8930      0.00000
    142       2.9371      0.00000
    143       3.0074      0.00000
    144       3.0228      0.00000
    145       3.0786      0.00000
    146       3.2981      0.00000
    147       3.3609      0.00000
    148       3.4129      0.00000
    149       3.4701      0.00000
    150       3.5926      0.00000
    151       3.6529      0.00000
    152       3.6566      0.00000
    153       3.6749      0.00000
    154       3.8830      0.00000
    155       3.9673      0.00000
    156       4.0140      0.00000
    157       4.0678      0.00000
    158       4.2271      0.00000
    159       4.2520      0.00000
    160       4.2574      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1420      1.00000
      2     -22.0499      1.00000
      3     -21.8876      1.00000
      4     -21.3369      1.00000
      5     -20.9780      1.00000
      6     -20.9488      1.00000
      7     -20.4292      1.00000
      8     -20.3975      1.00000
      9     -20.2172      1.00000
     10     -20.2157      1.00000
     11     -19.8889      1.00000
     12     -19.8256      1.00000
     13     -18.8186      1.00000
     14     -18.7484      1.00000
     15     -18.2666      1.00000
     16     -18.2530      1.00000
     17     -18.0812      1.00000
     18     -18.0750      1.00000
     19     -17.7467      1.00000
     20     -17.7314      1.00000
     21     -17.1956      1.00000
     22     -17.1727      1.00000
     23     -17.0894      1.00000
     24     -17.0691      1.00000
     25     -16.0552      1.00000
     26     -15.8096      1.00000
     27     -15.8001      1.00000
     28     -15.7787      1.00000
     29     -15.1597      1.00000
     30     -14.4865      1.00000
     31     -14.4652      1.00000
     32     -14.2047      1.00000
     33     -13.9170      1.00000
     34     -13.8873      1.00000
     35     -13.7600      1.00000
     36     -13.7394      1.00000
     37     -13.5368      1.00000
     38     -13.5115      1.00000
     39     -13.3028      1.00000
     40     -12.5779      1.00000
     41     -12.1016      1.00000
     42     -12.0779      1.00000
     43     -11.9994      1.00000
     44     -11.9524      1.00000
     45     -11.6059      1.00000
     46     -11.5985      1.00000
     47     -11.0844      1.00000
     48     -11.0620      1.00000
     49     -10.7324      1.00000
     50     -10.6659      1.00000
     51     -10.5571      1.00000
     52     -10.1406      1.00000
     53     -10.1358      1.00000
     54     -10.1022      1.00000
     55      -9.9670      1.00000
     56      -9.9260      1.00000
     57      -9.9227      1.00000
     58      -9.7508      1.00000
     59      -9.7299      1.00000
     60      -9.6981      1.00000
     61      -9.6955      1.00000
     62      -9.4011      1.00000
     63      -9.3900      1.00000
     64      -9.0690      1.00000
     65      -8.9829      1.00000
     66      -8.9819      1.00000
     67      -8.9058      1.00000
     68      -8.8133      1.00000
     69      -8.6499      1.00000
     70      -8.6345      1.00000
     71      -8.5478      1.00000
     72      -8.5024      1.00000
     73      -8.4832      1.00000
     74      -8.3952      1.00000
     75      -8.3829      1.00000
     76      -8.2103      1.00000
     77      -8.1023      1.00000
     78      -8.0079      1.00000
     79      -7.9022      1.00000
     80      -7.8438      1.00000
     81      -7.6221      1.00000
     82      -7.5345      1.00000
     83      -7.4569      1.00000
     84      -7.2540      1.00000
     85      -6.9431      1.00000
     86      -6.8688      1.00000
     87      -6.8106      1.00000
     88      -6.4784      1.00000
     89      -6.4682      1.00000
     90      -6.4105      1.00000
     91      -6.3607      1.00000
     92      -6.1865      1.00000
     93      -5.8588      1.00000
     94      -5.7382      1.00000
     95      -5.7121      1.00000
     96      -5.5222      1.00000
     97      -5.3291      1.00000
     98      -5.1727      1.00000
     99      -5.1682      1.00000
    100      -5.1348      1.00000
    101      -4.6956      1.00000
    102      -4.3487      1.00000
    103      -4.2781      1.00000
    104      -4.0264      1.00000
    105      -3.8244      1.00000
    106      -3.2339      1.00000
    107      -2.4060      0.00000
    108      -1.3454      0.00000
    109      -1.2443      0.00000
    110      -1.1538      0.00000
    111      -1.1090      0.00000
    112      -0.5838      0.00000
    113      -0.5219      0.00000
    114      -0.4339      0.00000
    115      -0.2752      0.00000
    116      -0.0721      0.00000
    117      -0.0119      0.00000
    118       0.0599      0.00000
    119       0.5836      0.00000
    120       0.7100      0.00000
    121       0.8064      0.00000
    122       0.9379      0.00000
    123       1.1778      0.00000
    124       1.5031      0.00000
    125       1.6162      0.00000
    126       1.8501      0.00000
    127       1.9993      0.00000
    128       2.0470      0.00000
    129       2.1062      0.00000
    130       2.1381      0.00000
    131       2.2562      0.00000
    132       2.2848      0.00000
    133       2.3462      0.00000
    134       2.4562      0.00000
    135       2.6065      0.00000
    136       2.6958      0.00000
    137       2.8139      0.00000
    138       2.9144      0.00000
    139       2.9416      0.00000
    140       3.0038      0.00000
    141       3.0407      0.00000
    142       3.1530      0.00000
    143       3.1576      0.00000
    144       3.2169      0.00000
    145       3.2963      0.00000
    146       3.3069      0.00000
    147       3.3511      0.00000
    148       3.3697      0.00000
    149       3.4118      0.00000
    150       3.4321      0.00000
    151       3.5493      0.00000
    152       3.6022      0.00000
    153       3.6948      0.00000
    154       3.7153      0.00000
    155       3.8413      0.00000
    156       3.8961      0.00000
    157       3.9283      0.00000
    158       3.9546      0.00000
    159       4.1391      0.00000
    160       4.1752      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2150      1.00000
      2     -22.0100      1.00000
      3     -21.6479      1.00000
      4     -21.6166      1.00000
      5     -20.9114      1.00000
      6     -20.8707      1.00000
      7     -20.5407      1.00000
      8     -20.5081      1.00000
      9     -20.5013      1.00000
     10     -19.9638      1.00000
     11     -19.4419      1.00000
     12     -19.4206      1.00000
     13     -19.2414      1.00000
     14     -19.2345      1.00000
     15     -18.3774      1.00000
     16     -18.3422      1.00000
     17     -17.8598      1.00000
     18     -17.8442      1.00000
     19     -17.6924      1.00000
     20     -17.6564      1.00000
     21     -17.3733      1.00000
     22     -17.3594      1.00000
     23     -17.2681      1.00000
     24     -16.4145      1.00000
     25     -16.3910      1.00000
     26     -15.9062      1.00000
     27     -15.3448      1.00000
     28     -15.3398      1.00000
     29     -15.0323      1.00000
     30     -15.0225      1.00000
     31     -14.7773      1.00000
     32     -14.7747      1.00000
     33     -14.2381      1.00000
     34     -14.1881      1.00000
     35     -13.3879      1.00000
     36     -13.3344      1.00000
     37     -13.1121      1.00000
     38     -13.1038      1.00000
     39     -12.9191      1.00000
     40     -12.9137      1.00000
     41     -12.5463      1.00000
     42     -12.5383      1.00000
     43     -12.1341      1.00000
     44     -11.5147      1.00000
     45     -11.4705      1.00000
     46     -11.2458      1.00000
     47     -11.2143      1.00000
     48     -11.0867      1.00000
     49     -10.7039      1.00000
     50     -10.5965      1.00000
     51     -10.5090      1.00000
     52     -10.2524      1.00000
     53     -10.2481      1.00000
     54     -10.1223      1.00000
     55     -10.0550      1.00000
     56     -10.0398      1.00000
     57      -9.7853      1.00000
     58      -9.6878      1.00000
     59      -9.6747      1.00000
     60      -9.6386      1.00000
     61      -9.6287      1.00000
     62      -9.5872      1.00000
     63      -9.2963      1.00000
     64      -9.2842      1.00000
     65      -9.2540      1.00000
     66      -9.0643      1.00000
     67      -8.8955      1.00000
     68      -8.8844      1.00000
     69      -8.7198      1.00000
     70      -8.5811      1.00000
     71      -8.5270      1.00000
     72      -8.3514      1.00000
     73      -8.3054      1.00000
     74      -8.2443      1.00000
     75      -8.2380      1.00000
     76      -8.1954      1.00000
     77      -8.1819      1.00000
     78      -8.1705      1.00000
     79      -8.1075      1.00000
     80      -7.6903      1.00000
     81      -7.4182      1.00000
     82      -7.3434      1.00000
     83      -7.2600      1.00000
     84      -7.1690      1.00000
     85      -7.1110      1.00000
     86      -7.0054      1.00000
     87      -6.9047      1.00000
     88      -6.8489      1.00000
     89      -6.5423      1.00000
     90      -6.4988      1.00000
     91      -6.2092      1.00000
     92      -6.2020      1.00000
     93      -5.8951      1.00000
     94      -5.6731      1.00000
     95      -5.6072      1.00000
     96      -5.5812      1.00000
     97      -5.2538      1.00000
     98      -5.2314      1.00000
     99      -5.1655      1.00000
    100      -5.1353      1.00000
    101      -4.5983      1.00000
    102      -4.2484      1.00000
    103      -4.0429      1.00000
    104      -3.8850      1.00000
    105      -3.8383      1.00000
    106      -3.8003      1.00000
    107      -1.8084      0.00000
    108      -1.7812      0.00000
    109      -1.2254      0.00000
    110      -1.1759      0.00000
    111      -0.9745      0.00000
    112      -0.7347      0.00000
    113      -0.6503      0.00000
    114      -0.5941      0.00000
    115      -0.5502      0.00000
    116      -0.1552      0.00000
    117       0.1763      0.00000
    118       0.2876      0.00000
    119       0.7020      0.00000
    120       0.9441      0.00000
    121       1.1684      0.00000
    122       1.2778      0.00000
    123       1.3400      0.00000
    124       1.5059      0.00000
    125       1.6048      0.00000
    126       1.6251      0.00000
    127       1.6911      0.00000
    128       1.7716      0.00000
    129       1.8531      0.00000
    130       2.0683      0.00000
    131       2.1552      0.00000
    132       2.3139      0.00000
    133       2.3870      0.00000
    134       2.4204      0.00000
    135       2.5486      0.00000
    136       2.6204      0.00000
    137       2.6845      0.00000
    138       2.7384      0.00000
    139       2.8018      0.00000
    140       2.9037      0.00000
    141       3.0445      0.00000
    142       3.0580      0.00000
    143       3.1751      0.00000
    144       3.2740      0.00000
    145       3.3737      0.00000
    146       3.4044      0.00000
    147       3.4541      0.00000
    148       3.5431      0.00000
    149       3.5656      0.00000
    150       3.6283      0.00000
    151       3.6579      0.00000
    152       3.7008      0.00000
    153       3.7755      0.00000
    154       3.7862      0.00000
    155       3.8171      0.00000
    156       3.8860      0.00000
    157       3.8983      0.00000
    158       3.9684      0.00000
    159       4.1845      0.00000
    160       4.2220      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3578      1.00000
      2     -21.5374      1.00000
      3     -21.4085      1.00000
      4     -21.4073      1.00000
      5     -21.3763      1.00000
      6     -21.3671      1.00000
      7     -21.3601      1.00000
      8     -19.6468      1.00000
      9     -19.5735      1.00000
     10     -19.5665      1.00000
     11     -19.5598      1.00000
     12     -19.5413      1.00000
     13     -19.5387      1.00000
     14     -18.7288      1.00000
     15     -18.6804      1.00000
     16     -18.6736      1.00000
     17     -18.6599      1.00000
     18     -18.6442      1.00000
     19     -18.6428      1.00000
     20     -16.5866      1.00000
     21     -16.5272      1.00000
     22     -16.5245      1.00000
     23     -16.5120      1.00000
     24     -16.4874      1.00000
     25     -16.4858      1.00000
     26     -15.5591      1.00000
     27     -15.5270      1.00000
     28     -15.5264      1.00000
     29     -15.5011      1.00000
     30     -15.4963      1.00000
     31     -15.4901      1.00000
     32     -14.2068      1.00000
     33     -14.1812      1.00000
     34     -14.1679      1.00000
     35     -14.1660      1.00000
     36     -14.1607      1.00000
     37     -14.1496      1.00000
     38     -11.8830      1.00000
     39     -11.8081      1.00000
     40     -11.7928      1.00000
     41     -11.7923      1.00000
     42     -11.7894      1.00000
     43     -11.7837      1.00000
     44     -11.7057      1.00000
     45     -11.6987      1.00000
     46     -11.6736      1.00000
     47     -11.6589      1.00000
     48     -11.6587      1.00000
     49     -11.6513      1.00000
     50     -10.6724      1.00000
     51     -10.3298      1.00000
     52     -10.3217      1.00000
     53     -10.3063      1.00000
     54     -10.3049      1.00000
     55     -10.2917      1.00000
     56     -10.2789      1.00000
     57      -9.9259      1.00000
     58      -9.3736      1.00000
     59      -9.3602      1.00000
     60      -9.3014      1.00000
     61      -9.2931      1.00000
     62      -9.2866      1.00000
     63      -9.0920      1.00000
     64      -9.0548      1.00000
     65      -9.0500      1.00000
     66      -9.0274      1.00000
     67      -9.0071      1.00000
     68      -9.0028      1.00000
     69      -9.0008      1.00000
     70      -8.9960      1.00000
     71      -8.9920      1.00000
     72      -8.9728      1.00000
     73      -8.9660      1.00000
     74      -8.9540      1.00000
     75      -8.4951      1.00000
     76      -7.5132      1.00000
     77      -7.4107      1.00000
     78      -7.4104      1.00000
     79      -7.3990      1.00000
     80      -7.3846      1.00000
     81      -7.3638      1.00000
     82      -7.3423      1.00000
     83      -7.3114      1.00000
     84      -7.2687      1.00000
     85      -7.2072      1.00000
     86      -7.1807      1.00000
     87      -7.1807      1.00000
     88      -7.0763      1.00000
     89      -6.5076      1.00000
     90      -6.4613      1.00000
     91      -6.3558      1.00000
     92      -6.2946      1.00000
     93      -6.2887      1.00000
     94      -6.2873      1.00000
     95      -5.8973      1.00000
     96      -5.8852      1.00000
     97      -5.0425      1.00000
     98      -4.9348      1.00000
     99      -4.5370      1.00000
    100      -4.3413      1.00000
    101      -4.3183      1.00000
    102      -4.3176      1.00000
    103      -4.1167      1.00000
    104      -3.9114      1.00000
    105      -3.9020      1.00000
    106      -3.8282      1.00000
    107      -1.6817      0.00000
    108      -1.6680      0.00000
    109      -1.5374      0.00000
    110      -1.5360      0.00000
    111      -1.5232      0.00000
    112      -1.5096      0.00000
    113      -0.5874      0.00000
    114       0.1329      0.00000
    115       0.2064      0.00000
    116       0.3248      0.00000
    117       0.3263      0.00000
    118       0.3335      0.00000
    119       0.4946      0.00000
    120       0.5913      0.00000
    121       1.2577      0.00000
    122       1.2667      0.00000
    123       1.5172      0.00000
    124       1.7879      0.00000
    125       1.8003      0.00000
    126       1.8035      0.00000
    127       1.8078      0.00000
    128       1.9449      0.00000
    129       1.9757      0.00000
    130       2.0321      0.00000
    131       2.0454      0.00000
    132       2.0505      0.00000
    133       2.0547      0.00000
    134       2.0570      0.00000
    135       2.3000      0.00000
    136       2.3215      0.00000
    137       2.6039      0.00000
    138       2.6114      0.00000
    139       2.6374      0.00000
    140       2.7081      0.00000
    141       2.8578      0.00000
    142       3.0221      0.00000
    143       3.0526      0.00000
    144       3.0771      0.00000
    145       3.0812      0.00000
    146       3.0858      0.00000
    147       3.0893      0.00000
    148       3.2208      0.00000
    149       3.4385      0.00000
    150       3.5346      0.00000
    151       3.7853      0.00000
    152       3.9349      0.00000
    153       3.9349      0.00000
    154       3.9402      0.00000
    155       3.9506      0.00000
    156       3.9959      0.00000
    157       4.1723      0.00000
    158       4.2592      0.00000
    159       4.2835      0.00000
    160       4.2839      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3212      1.00000
      2     -21.7625      1.00000
      3     -21.5720      1.00000
      4     -21.5392      1.00000
      5     -21.2089      1.00000
      6     -21.1642      1.00000
      7     -20.9885      1.00000
      8     -20.1028      1.00000
      9     -20.0589      1.00000
     10     -19.5473      1.00000
     11     -19.5227      1.00000
     12     -19.3502      1.00000
     13     -19.0257      1.00000
     14     -18.9905      1.00000
     15     -18.9826      1.00000
     16     -18.9704      1.00000
     17     -18.2983      1.00000
     18     -18.2791      1.00000
     19     -17.9531      1.00000
     20     -17.0104      1.00000
     21     -16.9605      1.00000
     22     -16.8796      1.00000
     23     -16.8693      1.00000
     24     -16.4055      1.00000
     25     -16.3906      1.00000
     26     -15.5528      1.00000
     27     -15.5367      1.00000
     28     -15.1985      1.00000
     29     -15.1700      1.00000
     30     -15.1156      1.00000
     31     -15.0284      1.00000
     32     -15.0040      1.00000
     33     -14.6370      1.00000
     34     -14.6253      1.00000
     35     -13.6680      1.00000
     36     -13.6527      1.00000
     37     -13.1703      1.00000
     38     -12.5512      1.00000
     39     -12.5184      1.00000
     40     -12.3920      1.00000
     41     -12.3790      1.00000
     42     -12.0576      1.00000
     43     -12.0349      1.00000
     44     -11.6598      1.00000
     45     -11.6179      1.00000
     46     -11.1808      1.00000
     47     -11.1571      1.00000
     48     -10.9653      1.00000
     49     -10.9415      1.00000
     50     -10.8741      1.00000
     51     -10.8380      1.00000
     52     -10.6022      1.00000
     53     -10.0937      1.00000
     54     -10.0893      1.00000
     55     -10.0459      1.00000
     56      -9.9712      1.00000
     57      -9.6548      1.00000
     58      -9.6300      1.00000
     59      -9.5930      1.00000
     60      -9.5301      1.00000
     61      -9.5110      1.00000
     62      -9.4800      1.00000
     63      -9.2647      1.00000
     64      -9.2419      1.00000
     65      -9.2216      1.00000
     66      -9.1669      1.00000
     67      -9.0694      1.00000
     68      -9.0478      1.00000
     69      -9.0414      1.00000
     70      -8.8837      1.00000
     71      -8.8066      1.00000
     72      -8.5770      1.00000
     73      -8.5225      1.00000
     74      -8.4588      1.00000
     75      -8.0355      1.00000
     76      -7.8112      1.00000
     77      -7.8074      1.00000
     78      -7.7931      1.00000
     79      -7.7007      1.00000
     80      -7.6914      1.00000
     81      -7.3637      1.00000
     82      -7.2743      1.00000
     83      -7.2646      1.00000
     84      -7.2163      1.00000
     85      -7.1732      1.00000
     86      -7.0094      1.00000
     87      -6.9476      1.00000
     88      -6.7461      1.00000
     89      -6.6728      1.00000
     90      -6.5952      1.00000
     91      -6.5602      1.00000
     92      -6.0505      1.00000
     93      -6.0469      1.00000
     94      -6.0217      1.00000
     95      -5.9595      1.00000
     96      -5.7371      1.00000
     97      -5.1523      1.00000
     98      -4.9881      1.00000
     99      -4.7184      1.00000
    100      -4.6114      1.00000
    101      -4.4392      1.00000
    102      -4.3731      1.00000
    103      -4.1215      1.00000
    104      -3.8677      1.00000
    105      -3.8289      1.00000
    106      -3.7909      1.00000
    107      -1.7855      0.00000
    108      -1.7390      0.00000
    109      -1.3948      0.00000
    110      -1.3466      0.00000
    111      -1.2649      0.00000
    112      -1.2264      0.00000
    113      -0.7459      0.00000
    114      -0.3804      0.00000
    115      -0.2206      0.00000
    116      -0.0200      0.00000
    117       0.5864      0.00000
    118       0.7354      0.00000
    119       0.7641      0.00000
    120       1.0497      0.00000
    121       1.1412      0.00000
    122       1.2491      0.00000
    123       1.2674      0.00000
    124       1.4104      0.00000
    125       1.4754      0.00000
    126       1.5768      0.00000
    127       1.7520      0.00000
    128       1.8371      0.00000
    129       1.8945      0.00000
    130       1.9572      0.00000
    131       2.0995      0.00000
    132       2.2281      0.00000
    133       2.2453      0.00000
    134       2.2891      0.00000
    135       2.4858      0.00000
    136       2.6039      0.00000
    137       2.6283      0.00000
    138       2.7613      0.00000
    139       2.7834      0.00000
    140       2.8524      0.00000
    141       2.8624      0.00000
    142       2.8908      0.00000
    143       2.9523      0.00000
    144       3.0733      0.00000
    145       3.2760      0.00000
    146       3.2933      0.00000
    147       3.3679      0.00000
    148       3.3995      0.00000
    149       3.4598      0.00000
    150       3.5741      0.00000
    151       3.6266      0.00000
    152       3.6647      0.00000
    153       3.7016      0.00000
    154       3.8979      0.00000
    155       3.9322      0.00000
    156       3.9763      0.00000
    157       4.0743      0.00000
    158       4.1929      0.00000
    159       4.2367      0.00000
    160       4.2900      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2154      1.00000
      2     -22.0093      1.00000
      3     -21.6506      1.00000
      4     -21.6136      1.00000
      5     -20.9141      1.00000
      6     -20.8680      1.00000
      7     -20.5468      1.00000
      8     -20.5076      1.00000
      9     -20.4973      1.00000
     10     -19.9648      1.00000
     11     -19.4434      1.00000
     12     -19.4165      1.00000
     13     -19.2428      1.00000
     14     -19.2283      1.00000
     15     -18.3851      1.00000
     16     -18.3410      1.00000
     17     -17.8609      1.00000
     18     -17.8399      1.00000
     19     -17.6989      1.00000
     20     -17.6564      1.00000
     21     -17.3730      1.00000
     22     -17.3569      1.00000
     23     -17.2754      1.00000
     24     -16.4019      1.00000
     25     -16.3872      1.00000
     26     -15.8976      1.00000
     27     -15.3534      1.00000
     28     -15.3381      1.00000
     29     -15.0355      1.00000
     30     -15.0218      1.00000
     31     -14.8004      1.00000
     32     -14.7757      1.00000
     33     -14.2225      1.00000
     34     -14.1908      1.00000
     35     -13.3714      1.00000
     36     -13.3381      1.00000
     37     -13.1205      1.00000
     38     -13.1031      1.00000
     39     -12.9175      1.00000
     40     -12.9040      1.00000
     41     -12.5573      1.00000
     42     -12.5394      1.00000
     43     -12.1338      1.00000
     44     -11.5224      1.00000
     45     -11.4748      1.00000
     46     -11.2543      1.00000
     47     -11.2206      1.00000
     48     -11.0801      1.00000
     49     -10.6582      1.00000
     50     -10.5890      1.00000
     51     -10.5233      1.00000
     52     -10.2586      1.00000
     53     -10.2498      1.00000
     54     -10.1234      1.00000
     55     -10.0496      1.00000
     56     -10.0413      1.00000
     57      -9.7701      1.00000
     58      -9.7059      1.00000
     59      -9.6807      1.00000
     60      -9.6313      1.00000
     61      -9.6274      1.00000
     62      -9.5890      1.00000
     63      -9.2950      1.00000
     64      -9.2859      1.00000
     65      -9.2538      1.00000
     66      -9.0868      1.00000
     67      -8.8978      1.00000
     68      -8.8843      1.00000
     69      -8.7258      1.00000
     70      -8.5889      1.00000
     71      -8.5146      1.00000
     72      -8.3317      1.00000
     73      -8.3033      1.00000
     74      -8.2651      1.00000
     75      -8.2334      1.00000
     76      -8.1958      1.00000
     77      -8.1864      1.00000
     78      -8.1712      1.00000
     79      -8.1006      1.00000
     80      -7.6893      1.00000
     81      -7.3563      1.00000
     82      -7.3103      1.00000
     83      -7.2655      1.00000
     84      -7.1871      1.00000
     85      -7.1254      1.00000
     86      -7.0775      1.00000
     87      -6.9076      1.00000
     88      -6.8834      1.00000
     89      -6.5496      1.00000
     90      -6.4928      1.00000
     91      -6.2098      1.00000
     92      -6.0691      1.00000
     93      -5.9415      1.00000
     94      -5.7141      1.00000
     95      -5.6333      1.00000
     96      -5.4525      1.00000
     97      -5.3049      1.00000
     98      -5.2348      1.00000
     99      -5.1527      1.00000
    100      -5.1522      1.00000
    101      -4.5200      1.00000
    102      -4.4695      1.00000
    103      -4.1403      1.00000
    104      -3.8319      1.00000
    105      -3.7570      1.00000
    106      -3.6808      1.00000
    107      -1.8713      0.00000
    108      -1.8245      0.00000
    109      -1.2774      0.00000
    110      -1.0366      0.00000
    111      -1.0123      0.00000
    112      -0.7129      0.00000
    113      -0.6403      0.00000
    114      -0.5886      0.00000
    115      -0.5463      0.00000
    116      -0.2050      0.00000
    117       0.2522      0.00000
    118       0.2785      0.00000
    119       0.7557      0.00000
    120       0.9412      0.00000
    121       1.1311      0.00000
    122       1.2247      0.00000
    123       1.3180      0.00000
    124       1.4083      0.00000
    125       1.5971      0.00000
    126       1.6331      0.00000
    127       1.6954      0.00000
    128       1.8211      0.00000
    129       1.9116      0.00000
    130       2.0058      0.00000
    131       2.0960      0.00000
    132       2.3192      0.00000
    133       2.3943      0.00000
    134       2.4276      0.00000
    135       2.5325      0.00000
    136       2.6313      0.00000
    137       2.7489      0.00000
    138       2.8074      0.00000
    139       2.8281      0.00000
    140       2.8835      0.00000
    141       3.0363      0.00000
    142       3.0860      0.00000
    143       3.1797      0.00000
    144       3.2306      0.00000
    145       3.3768      0.00000
    146       3.4182      0.00000
    147       3.4754      0.00000
    148       3.5682      0.00000
    149       3.5940      0.00000
    150       3.6249      0.00000
    151       3.6475      0.00000
    152       3.7372      0.00000
    153       3.7631      0.00000
    154       3.7782      0.00000
    155       3.7976      0.00000
    156       3.8867      0.00000
    157       3.9715      0.00000
    158       3.9984      0.00000
    159       4.1692      0.00000
    160       4.2289      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2493      1.00000
      2     -21.8947      1.00000
      3     -21.8247      1.00000
      4     -21.3129      1.00000
      5     -21.2828      1.00000
      6     -20.7715      1.00000
      7     -20.7061      1.00000
      8     -20.5574      1.00000
      9     -20.0098      1.00000
     10     -20.0027      1.00000
     11     -19.6489      1.00000
     12     -19.6248      1.00000
     13     -18.9303      1.00000
     14     -18.9222      1.00000
     15     -18.5713      1.00000
     16     -18.5577      1.00000
     17     -18.3949      1.00000
     18     -17.6155      1.00000
     19     -17.5597      1.00000
     20     -17.5545      1.00000
     21     -17.5131      1.00000
     22     -17.0563      1.00000
     23     -17.0391      1.00000
     24     -16.8918      1.00000
     25     -15.9300      1.00000
     26     -15.8684      1.00000
     27     -15.5175      1.00000
     28     -15.5163      1.00000
     29     -15.2293      1.00000
     30     -14.7949      1.00000
     31     -14.7681      1.00000
     32     -14.5158      1.00000
     33     -14.4719      1.00000
     34     -14.1025      1.00000
     35     -14.0912      1.00000
     36     -13.0765      1.00000
     37     -13.0336      1.00000
     38     -12.9676      1.00000
     39     -12.9554      1.00000
     40     -12.6456      1.00000
     41     -12.6395      1.00000
     42     -12.2748      1.00000
     43     -12.2436      1.00000
     44     -11.5874      1.00000
     45     -11.5610      1.00000
     46     -11.5073      1.00000
     47     -10.9045      1.00000
     48     -10.8515      1.00000
     49     -10.6207      1.00000
     50     -10.5591      1.00000
     51     -10.4849      1.00000
     52     -10.4341      1.00000
     53     -10.4244      1.00000
     54     -10.3712      1.00000
     55     -10.2944      1.00000
     56     -10.0657      1.00000
     57      -9.8345      1.00000
     58      -9.5484      1.00000
     59      -9.4893      1.00000
     60      -9.4699      1.00000
     61      -9.3469      1.00000
     62      -9.3314      1.00000
     63      -9.3110      1.00000
     64      -9.3088      1.00000
     65      -9.2152      1.00000
     66      -9.1119      1.00000
     67      -9.0811      1.00000
     68      -9.0503      1.00000
     69      -8.8477      1.00000
     70      -8.7935      1.00000
     71      -8.7743      1.00000
     72      -8.5282      1.00000
     73      -8.4757      1.00000
     74      -8.2216      1.00000
     75      -8.1108      1.00000
     76      -8.0994      1.00000
     77      -7.8080      1.00000
     78      -7.7839      1.00000
     79      -7.7813      1.00000
     80      -7.6739      1.00000
     81      -7.6315      1.00000
     82      -7.6309      1.00000
     83      -7.4017      1.00000
     84      -7.3254      1.00000
     85      -7.2008      1.00000
     86      -6.8401      1.00000
     87      -6.8289      1.00000
     88      -6.6605      1.00000
     89      -6.5392      1.00000
     90      -6.3444      1.00000
     91      -6.3075      1.00000
     92      -6.1850      1.00000
     93      -6.1475      1.00000
     94      -5.9780      1.00000
     95      -5.5720      1.00000
     96      -5.4267      1.00000
     97      -5.2594      1.00000
     98      -5.2466      1.00000
     99      -5.1495      1.00000
    100      -4.6954      1.00000
    101      -4.6651      1.00000
    102      -4.3493      1.00000
    103      -4.3128      1.00000
    104      -3.9630      1.00000
    105      -3.8246      1.00000
    106      -3.3907      1.00000
    107      -2.2207      0.00000
    108      -1.3771      0.00000
    109      -1.2870      0.00000
    110      -1.1735      0.00000
    111      -1.0781      0.00000
    112      -0.8942      0.00000
    113      -0.7684      0.00000
    114      -0.7578      0.00000
    115      -0.2212      0.00000
    116       0.1125      0.00000
    117       0.2639      0.00000
    118       0.3460      0.00000
    119       0.7299      0.00000
    120       0.9040      0.00000
    121       0.9710      0.00000
    122       1.0914      0.00000
    123       1.2019      0.00000
    124       1.5268      0.00000
    125       1.5582      0.00000
    126       1.7066      0.00000
    127       1.8376      0.00000
    128       1.8618      0.00000
    129       1.9617      0.00000
    130       1.9904      0.00000
    131       2.1528      0.00000
    132       2.2617      0.00000
    133       2.4499      0.00000
    134       2.4536      0.00000
    135       2.5028      0.00000
    136       2.6655      0.00000
    137       2.6845      0.00000
    138       2.7278      0.00000
    139       2.7388      0.00000
    140       2.8845      0.00000
    141       3.0175      0.00000
    142       3.0765      0.00000
    143       3.1921      0.00000
    144       3.2436      0.00000
    145       3.2473      0.00000
    146       3.2594      0.00000
    147       3.3492      0.00000
    148       3.4735      0.00000
    149       3.5234      0.00000
    150       3.6938      0.00000
    151       3.7415      0.00000
    152       3.7704      0.00000
    153       3.8283      0.00000
    154       3.8704      0.00000
    155       3.9367      0.00000
    156       3.9823      0.00000
    157       4.0193      0.00000
    158       4.0336      0.00000
    159       4.0470      0.00000
    160       4.1116      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1430      1.00000
      2     -22.0484      1.00000
      3     -21.8881      1.00000
      4     -21.3360      1.00000
      5     -20.9829      1.00000
      6     -20.9447      1.00000
      7     -20.4344      1.00000
      8     -20.3921      1.00000
      9     -20.2278      1.00000
     10     -20.2066      1.00000
     11     -19.8902      1.00000
     12     -19.8228      1.00000
     13     -18.8158      1.00000
     14     -18.7449      1.00000
     15     -18.2908      1.00000
     16     -18.2376      1.00000
     17     -18.0869      1.00000
     18     -18.0669      1.00000
     19     -17.7625      1.00000
     20     -17.7202      1.00000
     21     -17.1896      1.00000
     22     -17.1706      1.00000
     23     -17.1006      1.00000
     24     -17.0647      1.00000
     25     -16.0391      1.00000
     26     -15.8238      1.00000
     27     -15.8007      1.00000
     28     -15.7655      1.00000
     29     -15.1745      1.00000
     30     -14.4917      1.00000
     31     -14.4593      1.00000
     32     -14.2186      1.00000
     33     -13.8959      1.00000
     34     -13.8909      1.00000
     35     -13.7566      1.00000
     36     -13.7364      1.00000
     37     -13.5524      1.00000
     38     -13.5039      1.00000
     39     -13.3014      1.00000
     40     -12.5655      1.00000
     41     -12.1255      1.00000
     42     -12.0667      1.00000
     43     -12.0109      1.00000
     44     -11.9525      1.00000
     45     -11.6114      1.00000
     46     -11.5887      1.00000
     47     -11.0851      1.00000
     48     -11.0525      1.00000
     49     -10.7529      1.00000
     50     -10.6646      1.00000
     51     -10.5250      1.00000
     52     -10.1494      1.00000
     53     -10.1392      1.00000
     54     -10.0975      1.00000
     55      -9.9536      1.00000
     56      -9.9489      1.00000
     57      -9.9182      1.00000
     58      -9.7381      1.00000
     59      -9.7321      1.00000
     60      -9.7010      1.00000
     61      -9.6910      1.00000
     62      -9.4291      1.00000
     63      -9.3637      1.00000
     64      -9.0857      1.00000
     65      -9.0073      1.00000
     66      -8.9753      1.00000
     67      -8.8885      1.00000
     68      -8.8124      1.00000
     69      -8.6582      1.00000
     70      -8.6356      1.00000
     71      -8.5781      1.00000
     72      -8.4788      1.00000
     73      -8.4681      1.00000
     74      -8.3987      1.00000
     75      -8.3950      1.00000
     76      -8.1848      1.00000
     77      -8.1144      1.00000
     78      -7.9783      1.00000
     79      -7.9155      1.00000
     80      -7.8473      1.00000
     81      -7.6174      1.00000
     82      -7.5313      1.00000
     83      -7.4693      1.00000
     84      -7.2574      1.00000
     85      -6.9343      1.00000
     86      -6.8583      1.00000
     87      -6.8116      1.00000
     88      -6.5730      1.00000
     89      -6.4671      1.00000
     90      -6.4205      1.00000
     91      -6.3576      1.00000
     92      -6.0511      1.00000
     93      -5.8775      1.00000
     94      -5.7535      1.00000
     95      -5.7223      1.00000
     96      -5.4761      1.00000
     97      -5.3458      1.00000
     98      -5.1807      1.00000
     99      -5.1567      1.00000
    100      -5.1552      1.00000
    101      -4.7068      1.00000
    102      -4.4401      1.00000
    103      -4.2535      1.00000
    104      -3.9940      1.00000
    105      -3.8235      1.00000
    106      -3.1571      1.00000
    107      -2.4637      0.00000
    108      -1.3789      0.00000
    109      -1.2415      0.00000
    110      -1.1468      0.00000
    111      -1.1150      0.00000
    112      -0.5647      0.00000
    113      -0.4349      0.00000
    114      -0.4304      0.00000
    115      -0.3105      0.00000
    116      -0.1907      0.00000
    117       0.0616      0.00000
    118       0.1160      0.00000
    119       0.5397      0.00000
    120       0.6836      0.00000
    121       0.8675      0.00000
    122       0.9629      0.00000
    123       1.1061      0.00000
    124       1.4909      0.00000
    125       1.6575      0.00000
    126       1.7944      0.00000
    127       1.8682      0.00000
    128       2.0870      0.00000
    129       2.1278      0.00000
    130       2.1899      0.00000
    131       2.2120      0.00000
    132       2.3399      0.00000
    133       2.3538      0.00000
    134       2.4835      0.00000
    135       2.5742      0.00000
    136       2.6642      0.00000
    137       2.8769      0.00000
    138       2.9371      0.00000
    139       2.9618      0.00000
    140       2.9843      0.00000
    141       3.0333      0.00000
    142       3.1461      0.00000
    143       3.1756      0.00000
    144       3.2361      0.00000
    145       3.2862      0.00000
    146       3.3300      0.00000
    147       3.3480      0.00000
    148       3.3772      0.00000
    149       3.3979      0.00000
    150       3.4915      0.00000
    151       3.5410      0.00000
    152       3.6211      0.00000
    153       3.6863      0.00000
    154       3.7035      0.00000
    155       3.7156      0.00000
    156       3.9165      0.00000
    157       3.9298      0.00000
    158       4.0495      0.00000
    159       4.0814      0.00000
    160       4.1914      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2491      1.00000
      2     -21.8964      1.00000
      3     -21.8230      1.00000
      4     -21.3174      1.00000
      5     -21.2789      1.00000
      6     -20.7727      1.00000
      7     -20.7039      1.00000
      8     -20.5558      1.00000
      9     -20.0239      1.00000
     10     -19.9918      1.00000
     11     -19.6514      1.00000
     12     -19.6205      1.00000
     13     -18.9443      1.00000
     14     -18.9098      1.00000
     15     -18.5852      1.00000
     16     -18.5477      1.00000
     17     -18.3931      1.00000
     18     -17.6026      1.00000
     19     -17.5714      1.00000
     20     -17.5422      1.00000
     21     -17.5094      1.00000
     22     -17.0752      1.00000
     23     -17.0284      1.00000
     24     -16.9010      1.00000
     25     -15.9461      1.00000
     26     -15.8522      1.00000
     27     -15.5341      1.00000
     28     -15.5077      1.00000
     29     -15.2100      1.00000
     30     -14.8145      1.00000
     31     -14.7622      1.00000
     32     -14.5102      1.00000
     33     -14.4684      1.00000
     34     -14.0970      1.00000
     35     -14.0939      1.00000
     36     -13.1049      1.00000
     37     -13.0308      1.00000
     38     -12.9573      1.00000
     39     -12.9501      1.00000
     40     -12.6562      1.00000
     41     -12.6280      1.00000
     42     -12.2751      1.00000
     43     -12.2481      1.00000
     44     -11.5734      1.00000
     45     -11.5540      1.00000
     46     -11.5015      1.00000
     47     -10.8783      1.00000
     48     -10.8693      1.00000
     49     -10.6806      1.00000
     50     -10.5255      1.00000
     51     -10.5203      1.00000
     52     -10.4343      1.00000
     53     -10.4168      1.00000
     54     -10.3706      1.00000
     55     -10.2886      1.00000
     56     -10.0613      1.00000
     57      -9.8332      1.00000
     58      -9.5590      1.00000
     59      -9.4850      1.00000
     60      -9.4445      1.00000
     61      -9.3563      1.00000
     62      -9.3397      1.00000
     63      -9.3083      1.00000
     64      -9.3031      1.00000
     65      -9.2069      1.00000
     66      -9.0998      1.00000
     67      -9.0689      1.00000
     68      -9.0496      1.00000
     69      -8.8506      1.00000
     70      -8.7975      1.00000
     71      -8.7784      1.00000
     72      -8.5278      1.00000
     73      -8.4968      1.00000
     74      -8.2265      1.00000
     75      -8.1297      1.00000
     76      -8.0935      1.00000
     77      -7.8067      1.00000
     78      -7.7677      1.00000
     79      -7.7404      1.00000
     80      -7.7034      1.00000
     81      -7.6359      1.00000
     82      -7.6247      1.00000
     83      -7.3884      1.00000
     84      -7.3448      1.00000
     85      -7.2202      1.00000
     86      -6.8435      1.00000
     87      -6.8211      1.00000
     88      -6.6390      1.00000
     89      -6.5300      1.00000
     90      -6.3416      1.00000
     91      -6.2733      1.00000
     92      -6.1956      1.00000
     93      -6.1323      1.00000
     94      -6.0207      1.00000
     95      -5.6351      1.00000
     96      -5.5085      1.00000
     97      -5.2981      1.00000
     98      -5.1566      1.00000
     99      -5.0396      1.00000
    100      -4.7251      1.00000
    101      -4.6856      1.00000
    102      -4.3679      1.00000
    103      -4.1840      1.00000
    104      -4.0069      1.00000
    105      -3.8230      1.00000
    106      -3.4849      1.00000
    107      -2.1650      0.00000
    108      -1.3835      0.00000
    109      -1.2359      0.00000
    110      -1.1852      0.00000
    111      -1.0147      0.00000
    112      -0.9564      0.00000
    113      -0.7977      0.00000
    114      -0.7524      0.00000
    115      -0.3679      0.00000
    116       0.2451      0.00000
    117       0.2764      0.00000
    118       0.3637      0.00000
    119       0.6958      0.00000
    120       0.8679      0.00000
    121       0.9655      0.00000
    122       1.1222      0.00000
    123       1.2313      0.00000
    124       1.4514      0.00000
    125       1.5494      0.00000
    126       1.7786      0.00000
    127       1.8494      0.00000
    128       1.8799      0.00000
    129       1.9794      0.00000
    130       2.0234      0.00000
    131       2.1903      0.00000
    132       2.2057      0.00000
    133       2.3973      0.00000
    134       2.4418      0.00000
    135       2.5473      0.00000
    136       2.6575      0.00000
    137       2.6843      0.00000
    138       2.7246      0.00000
    139       2.7619      0.00000
    140       2.8459      0.00000
    141       2.9610      0.00000
    142       3.0732      0.00000
    143       3.1851      0.00000
    144       3.2303      0.00000
    145       3.2488      0.00000
    146       3.2855      0.00000
    147       3.3216      0.00000
    148       3.4731      0.00000
    149       3.5030      0.00000
    150       3.7013      0.00000
    151       3.7172      0.00000
    152       3.7696      0.00000
    153       3.8550      0.00000
    154       3.8685      0.00000
    155       3.8937      0.00000
    156       3.9922      0.00000
    157       3.9949      0.00000
    158       4.0390      0.00000
    159       4.0571      0.00000
    160       4.0832      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3211      1.00000
      2     -21.7629      1.00000
      3     -21.5692      1.00000
      4     -21.5420      1.00000
      5     -21.2065      1.00000
      6     -21.1675      1.00000
      7     -20.9871      1.00000
      8     -20.0999      1.00000
      9     -20.0611      1.00000
     10     -19.5472      1.00000
     11     -19.5277      1.00000
     12     -19.3460      1.00000
     13     -19.0289      1.00000
     14     -18.9892      1.00000
     15     -18.9789      1.00000
     16     -18.9733      1.00000
     17     -18.2968      1.00000
     18     -18.2838      1.00000
     19     -17.9472      1.00000
     20     -17.0012      1.00000
     21     -16.9602      1.00000
     22     -16.8834      1.00000
     23     -16.8707      1.00000
     24     -16.4169      1.00000
     25     -16.3942      1.00000
     26     -15.5419      1.00000
     27     -15.5386      1.00000
     28     -15.1739      1.00000
     29     -15.1719      1.00000
     30     -15.1318      1.00000
     31     -15.0371      1.00000
     32     -15.0022      1.00000
     33     -14.6345      1.00000
     34     -14.6273      1.00000
     35     -13.6637      1.00000
     36     -13.6536      1.00000
     37     -13.1716      1.00000
     38     -12.5729      1.00000
     39     -12.5141      1.00000
     40     -12.3868      1.00000
     41     -12.3860      1.00000
     42     -12.0360      1.00000
     43     -12.0316      1.00000
     44     -11.6558      1.00000
     45     -11.6157      1.00000
     46     -11.2059      1.00000
     47     -11.1580      1.00000
     48     -10.9555      1.00000
     49     -10.9431      1.00000
     50     -10.8613      1.00000
     51     -10.8292      1.00000
     52     -10.6240      1.00000
     53     -10.1465      1.00000
     54     -10.0850      1.00000
     55     -10.0256      1.00000
     56      -9.9463      1.00000
     57      -9.6320      1.00000
     58      -9.6300      1.00000
     59      -9.6037      1.00000
     60      -9.5412      1.00000
     61      -9.5036      1.00000
     62      -9.4804      1.00000
     63      -9.2729      1.00000
     64      -9.2361      1.00000
     65      -9.2079      1.00000
     66      -9.1803      1.00000
     67      -9.0635      1.00000
     68      -9.0476      1.00000
     69      -9.0439      1.00000
     70      -8.8780      1.00000
     71      -8.8095      1.00000
     72      -8.5347      1.00000
     73      -8.5337      1.00000
     74      -8.4989      1.00000
     75      -8.0312      1.00000
     76      -7.8321      1.00000
     77      -7.8002      1.00000
     78      -7.7749      1.00000
     79      -7.7034      1.00000
     80      -7.6852      1.00000
     81      -7.4140      1.00000
     82      -7.2877      1.00000
     83      -7.2526      1.00000
     84      -7.2033      1.00000
     85      -7.0815      1.00000
     86      -7.0765      1.00000
     87      -6.9386      1.00000
     88      -6.7113      1.00000
     89      -6.6747      1.00000
     90      -6.6300      1.00000
     91      -6.5581      1.00000
     92      -6.0714      1.00000
     93      -6.0318      1.00000
     94      -6.0011      1.00000
     95      -5.9387      1.00000
     96      -5.7996      1.00000
     97      -5.1785      1.00000
     98      -4.8930      1.00000
     99      -4.7932      1.00000
    100      -4.6111      1.00000
    101      -4.5122      1.00000
    102      -4.1392      1.00000
    103      -4.0916      1.00000
    104      -3.9316      1.00000
    105      -3.9156      1.00000
    106      -3.8224      1.00000
    107      -1.7522      0.00000
    108      -1.6965      0.00000
    109      -1.4106      0.00000
    110      -1.3713      0.00000
    111      -1.2649      0.00000
    112      -1.2366      0.00000
    113      -0.6252      0.00000
    114      -0.5989      0.00000
    115      -0.1903      0.00000
    116       0.0407      0.00000
    117       0.5802      0.00000
    118       0.7401      0.00000
    119       0.8494      0.00000
    120       0.9266      0.00000
    121       1.1673      0.00000
    122       1.2091      0.00000
    123       1.2444      0.00000
    124       1.4141      0.00000
    125       1.5951      0.00000
    126       1.6307      0.00000
    127       1.7008      0.00000
    128       1.7996      0.00000
    129       1.9210      0.00000
    130       1.9403      0.00000
    131       2.1391      0.00000
    132       2.1689      0.00000
    133       2.2573      0.00000
    134       2.2942      0.00000
    135       2.5374      0.00000
    136       2.5521      0.00000
    137       2.6265      0.00000
    138       2.7559      0.00000
    139       2.7962      0.00000
    140       2.8392      0.00000
    141       2.8930      0.00000
    142       2.9371      0.00000
    143       3.0074      0.00000
    144       3.0228      0.00000
    145       3.0786      0.00000
    146       3.2982      0.00000
    147       3.3609      0.00000
    148       3.4129      0.00000
    149       3.4701      0.00000
    150       3.5926      0.00000
    151       3.6529      0.00000
    152       3.6566      0.00000
    153       3.6749      0.00000
    154       3.8830      0.00000
    155       3.9673      0.00000
    156       4.0140      0.00000
    157       4.0678      0.00000
    158       4.2271      0.00000
    159       4.2520      0.00000
    160       4.2575      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1420      1.00000
      2     -22.0499      1.00000
      3     -21.8876      1.00000
      4     -21.3369      1.00000
      5     -20.9780      1.00000
      6     -20.9488      1.00000
      7     -20.4292      1.00000
      8     -20.3975      1.00000
      9     -20.2172      1.00000
     10     -20.2157      1.00000
     11     -19.8889      1.00000
     12     -19.8256      1.00000
     13     -18.8186      1.00000
     14     -18.7484      1.00000
     15     -18.2666      1.00000
     16     -18.2530      1.00000
     17     -18.0812      1.00000
     18     -18.0750      1.00000
     19     -17.7467      1.00000
     20     -17.7314      1.00000
     21     -17.1956      1.00000
     22     -17.1727      1.00000
     23     -17.0894      1.00000
     24     -17.0691      1.00000
     25     -16.0552      1.00000
     26     -15.8096      1.00000
     27     -15.8001      1.00000
     28     -15.7787      1.00000
     29     -15.1597      1.00000
     30     -14.4865      1.00000
     31     -14.4652      1.00000
     32     -14.2047      1.00000
     33     -13.9170      1.00000
     34     -13.8873      1.00000
     35     -13.7600      1.00000
     36     -13.7394      1.00000
     37     -13.5368      1.00000
     38     -13.5115      1.00000
     39     -13.3028      1.00000
     40     -12.5779      1.00000
     41     -12.1016      1.00000
     42     -12.0779      1.00000
     43     -11.9994      1.00000
     44     -11.9524      1.00000
     45     -11.6059      1.00000
     46     -11.5985      1.00000
     47     -11.0844      1.00000
     48     -11.0620      1.00000
     49     -10.7324      1.00000
     50     -10.6659      1.00000
     51     -10.5571      1.00000
     52     -10.1406      1.00000
     53     -10.1358      1.00000
     54     -10.1022      1.00000
     55      -9.9670      1.00000
     56      -9.9260      1.00000
     57      -9.9227      1.00000
     58      -9.7508      1.00000
     59      -9.7299      1.00000
     60      -9.6981      1.00000
     61      -9.6955      1.00000
     62      -9.4011      1.00000
     63      -9.3900      1.00000
     64      -9.0690      1.00000
     65      -8.9829      1.00000
     66      -8.9819      1.00000
     67      -8.9058      1.00000
     68      -8.8133      1.00000
     69      -8.6499      1.00000
     70      -8.6345      1.00000
     71      -8.5478      1.00000
     72      -8.5024      1.00000
     73      -8.4832      1.00000
     74      -8.3952      1.00000
     75      -8.3829      1.00000
     76      -8.2103      1.00000
     77      -8.1023      1.00000
     78      -8.0079      1.00000
     79      -7.9022      1.00000
     80      -7.8438      1.00000
     81      -7.6221      1.00000
     82      -7.5345      1.00000
     83      -7.4569      1.00000
     84      -7.2540      1.00000
     85      -6.9431      1.00000
     86      -6.8688      1.00000
     87      -6.8106      1.00000
     88      -6.4784      1.00000
     89      -6.4682      1.00000
     90      -6.4105      1.00000
     91      -6.3607      1.00000
     92      -6.1865      1.00000
     93      -5.8588      1.00000
     94      -5.7382      1.00000
     95      -5.7121      1.00000
     96      -5.5222      1.00000
     97      -5.3291      1.00000
     98      -5.1727      1.00000
     99      -5.1682      1.00000
    100      -5.1348      1.00000
    101      -4.6956      1.00000
    102      -4.3487      1.00000
    103      -4.2781      1.00000
    104      -4.0264      1.00000
    105      -3.8244      1.00000
    106      -3.2339      1.00000
    107      -2.4060      0.00000
    108      -1.3454      0.00000
    109      -1.2443      0.00000
    110      -1.1538      0.00000
    111      -1.1090      0.00000
    112      -0.5838      0.00000
    113      -0.5219      0.00000
    114      -0.4339      0.00000
    115      -0.2752      0.00000
    116      -0.0721      0.00000
    117      -0.0119      0.00000
    118       0.0599      0.00000
    119       0.5836      0.00000
    120       0.7100      0.00000
    121       0.8064      0.00000
    122       0.9379      0.00000
    123       1.1778      0.00000
    124       1.5031      0.00000
    125       1.6162      0.00000
    126       1.8501      0.00000
    127       1.9993      0.00000
    128       2.0470      0.00000
    129       2.1062      0.00000
    130       2.1382      0.00000
    131       2.2562      0.00000
    132       2.2848      0.00000
    133       2.3462      0.00000
    134       2.4562      0.00000
    135       2.6065      0.00000
    136       2.6958      0.00000
    137       2.8139      0.00000
    138       2.9144      0.00000
    139       2.9416      0.00000
    140       3.0038      0.00000
    141       3.0407      0.00000
    142       3.1530      0.00000
    143       3.1576      0.00000
    144       3.2169      0.00000
    145       3.2963      0.00000
    146       3.3069      0.00000
    147       3.3511      0.00000
    148       3.3697      0.00000
    149       3.4118      0.00000
    150       3.4321      0.00000
    151       3.5493      0.00000
    152       3.6022      0.00000
    153       3.6948      0.00000
    154       3.7153      0.00000
    155       3.8413      0.00000
    156       3.8961      0.00000
    157       3.9283      0.00000
    158       3.9546      0.00000
    159       4.1391      0.00000
    160       4.1752      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2150      1.00000
      2     -22.0100      1.00000
      3     -21.6479      1.00000
      4     -21.6166      1.00000
      5     -20.9114      1.00000
      6     -20.8707      1.00000
      7     -20.5407      1.00000
      8     -20.5081      1.00000
      9     -20.5013      1.00000
     10     -19.9638      1.00000
     11     -19.4419      1.00000
     12     -19.4206      1.00000
     13     -19.2414      1.00000
     14     -19.2345      1.00000
     15     -18.3774      1.00000
     16     -18.3422      1.00000
     17     -17.8598      1.00000
     18     -17.8442      1.00000
     19     -17.6924      1.00000
     20     -17.6564      1.00000
     21     -17.3733      1.00000
     22     -17.3594      1.00000
     23     -17.2681      1.00000
     24     -16.4145      1.00000
     25     -16.3910      1.00000
     26     -15.9062      1.00000
     27     -15.3448      1.00000
     28     -15.3398      1.00000
     29     -15.0323      1.00000
     30     -15.0225      1.00000
     31     -14.7773      1.00000
     32     -14.7747      1.00000
     33     -14.2381      1.00000
     34     -14.1881      1.00000
     35     -13.3879      1.00000
     36     -13.3344      1.00000
     37     -13.1121      1.00000
     38     -13.1038      1.00000
     39     -12.9191      1.00000
     40     -12.9137      1.00000
     41     -12.5463      1.00000
     42     -12.5383      1.00000
     43     -12.1341      1.00000
     44     -11.5147      1.00000
     45     -11.4705      1.00000
     46     -11.2458      1.00000
     47     -11.2143      1.00000
     48     -11.0867      1.00000
     49     -10.7039      1.00000
     50     -10.5965      1.00000
     51     -10.5090      1.00000
     52     -10.2524      1.00000
     53     -10.2481      1.00000
     54     -10.1223      1.00000
     55     -10.0550      1.00000
     56     -10.0398      1.00000
     57      -9.7853      1.00000
     58      -9.6878      1.00000
     59      -9.6747      1.00000
     60      -9.6386      1.00000
     61      -9.6287      1.00000
     62      -9.5872      1.00000
     63      -9.2963      1.00000
     64      -9.2842      1.00000
     65      -9.2540      1.00000
     66      -9.0643      1.00000
     67      -8.8955      1.00000
     68      -8.8844      1.00000
     69      -8.7198      1.00000
     70      -8.5811      1.00000
     71      -8.5270      1.00000
     72      -8.3514      1.00000
     73      -8.3054      1.00000
     74      -8.2443      1.00000
     75      -8.2380      1.00000
     76      -8.1954      1.00000
     77      -8.1819      1.00000
     78      -8.1705      1.00000
     79      -8.1075      1.00000
     80      -7.6903      1.00000
     81      -7.4182      1.00000
     82      -7.3434      1.00000
     83      -7.2600      1.00000
     84      -7.1690      1.00000
     85      -7.1110      1.00000
     86      -7.0054      1.00000
     87      -6.9047      1.00000
     88      -6.8489      1.00000
     89      -6.5423      1.00000
     90      -6.4988      1.00000
     91      -6.2092      1.00000
     92      -6.2020      1.00000
     93      -5.8951      1.00000
     94      -5.6731      1.00000
     95      -5.6072      1.00000
     96      -5.5812      1.00000
     97      -5.2538      1.00000
     98      -5.2314      1.00000
     99      -5.1655      1.00000
    100      -5.1353      1.00000
    101      -4.5983      1.00000
    102      -4.2484      1.00000
    103      -4.0429      1.00000
    104      -3.8850      1.00000
    105      -3.8383      1.00000
    106      -3.8003      1.00000
    107      -1.8084      0.00000
    108      -1.7812      0.00000
    109      -1.2254      0.00000
    110      -1.1759      0.00000
    111      -0.9745      0.00000
    112      -0.7347      0.00000
    113      -0.6503      0.00000
    114      -0.5941      0.00000
    115      -0.5502      0.00000
    116      -0.1552      0.00000
    117       0.1763      0.00000
    118       0.2876      0.00000
    119       0.7020      0.00000
    120       0.9441      0.00000
    121       1.1684      0.00000
    122       1.2778      0.00000
    123       1.3400      0.00000
    124       1.5059      0.00000
    125       1.6048      0.00000
    126       1.6251      0.00000
    127       1.6911      0.00000
    128       1.7716      0.00000
    129       1.8531      0.00000
    130       2.0683      0.00000
    131       2.1552      0.00000
    132       2.3139      0.00000
    133       2.3870      0.00000
    134       2.4204      0.00000
    135       2.5486      0.00000
    136       2.6204      0.00000
    137       2.6845      0.00000
    138       2.7384      0.00000
    139       2.8018      0.00000
    140       2.9037      0.00000
    141       3.0445      0.00000
    142       3.0580      0.00000
    143       3.1751      0.00000
    144       3.2740      0.00000
    145       3.3737      0.00000
    146       3.4044      0.00000
    147       3.4541      0.00000
    148       3.5431      0.00000
    149       3.5656      0.00000
    150       3.6283      0.00000
    151       3.6579      0.00000
    152       3.7008      0.00000
    153       3.7756      0.00000
    154       3.7862      0.00000
    155       3.8171      0.00000
    156       3.8860      0.00000
    157       3.8983      0.00000
    158       3.9684      0.00000
    159       4.1845      0.00000
    160       4.2220      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0389   -7.2580    3.9828   -1.1317   -0.1852   17.3731    0.4892   -0.8147    0.7705   -0.4761
x    -3.1263   -0.0252   -0.0208   -0.0262    0.0910   -3.0538    0.0305   -0.0243    0.0084    0.0018
x    -0.0953   -0.0028    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   204.0389    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     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   -0.0316    0.0619    0.0185
y     0.0233   -3.2431   -0.1783    0.1703   -2.4162   -0.6650
z   204.0389    1.7467    0.2921    0.0879    0.0004    0.0706   -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    0.0988    0.0006   -0.0010   -0.0001   -0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0012   -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  -16.6062
z     0.1451    0.2355   -0.0294    0.0575   -0.0951    0.0006
 total charge-density along one line
x   212.0000  -10.0891    5.9297   -1.9406   -0.4208   19.2924   -0.6605    0.2077    0.0654   -0.1054
x    -2.7065   -0.0089    0.0017   -0.0452    0.0969   -2.3453    0.0478   -0.0343    0.0117    0.0024
x    -0.0854   -0.0054    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  -10.0891    5.9297   -1.9406   -0.4208   19.2924   -0.6605    0.2077    0.0654   -0.1054
y    -2.7065   -0.0089    0.0017   -0.0452    0.0969   -2.3453    0.0478   -0.0343    0.0117    0.0024
y    -0.0854   -0.0054    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 -205.3275  188.9205 -170.1904  154.0303 -140.2732  126.3362 -110.8637   94.6139  -78.9689
z    64.6250  -51.7093   40.4761  -31.4024   24.6516  -19.7190   15.7450  -12.1389    8.8648   -6.1900
z     4.2587   -2.9290    1.9403   -1.1417    0.5357   -0.1519   -0.0619    0.2138   -0.3684    0.5021
z    -0.5565    0.5178   -0.4343    0.3664   -0.3345    0.3162   -0.2846    0.2369   -0.1901    0.1568
z    -0.1349    0.1146   -0.0920    0.0715   -0.0576    0.0500   -0.0441    0.0370   -0.0295    0.0239
z    -0.0208    0.0186   -0.0160    0.0129   -0.0103    0.0084   -0.0068    0.0053   -0.0039    0.0028
z    -0.0020    0.0012   -0.0004   -0.0002    0.0004   -0.0004    0.0004   -0.0006    0.0007   -0.0007
z     0.0004   -0.0002    0.0001    0.0000    0.0000    0.0001   -0.0002    0.0003   -0.0003    0.0003
z    -0.0002    0.0002   -0.0002    0.0002   -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0000   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.938   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 -10.935   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   0.041   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 -10.935   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  -0.026   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   0.261   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  -0.043   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   0.004   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   0.261   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   0.353   0.000  -0.035   0.101   0.000   0.558   0.000  -0.057   0.698  -0.290   0.000   0.088   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   0.004  -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  -0.043   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   0.108   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   0.088   0.000  -0.068   0.267  -0.035   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   0.275   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   2.647
 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   1.781   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   2.647
 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       44.833  89.440   8.027 142.300
 


 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  113.29: CPU time   57.23
    FORLOC:  VPU time    1.25: CPU time    1.25
    FORNL :  VPU time  441.86: CPU time  221.61
    STRESS:  VPU time 1339.62: CPU time  673.94
    FORCOR:  VPU time    8.64: CPU time    8.64
    FORHAR:  VPU time    2.30: CPU time    2.29
    MIXING:  VPU time    0.16: CPU time    0.16
 d Force = 0.9120970E-05[ 0.564E-06, 0.177E-04]  d Energy = 0.2053641E-04-0.114E-04
 d Force = 0.9350907E+00[ 0.935E+00, 0.935E+00]  d Ewald  = 0.1380939E+01-0.446E+00


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.645143 eV

  energy  without entropy=     -471.645143  energy(sigma->0) =     -471.645143
 

  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    40731.69  40747.77 -47431.97     13.92      0.00      0.00
  Hartree  40197.26  40200.46 -39450.26      2.77      0.00      0.00
  E(xc)     -779.76   -779.56   -807.28      0.17      0.00      0.00
  Local   -83222.10 -83235.21  84199.55    -11.35      0.00      0.00
  n-local   -215.85   -215.75   -203.92     -0.17      0.00      0.00
  augment     22.09     20.52     17.37     -1.36      0.00      0.00
  Kinetic   3168.91   3171.55   3582.25     -6.18      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.04     -0.06     -0.34     -0.02      0.00      0.00
  in kB       -0.02     -0.04     -0.21     -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
    12.346763037  0.001717271  0.000000000     0.080986387  0.046742563  0.000000000
    -6.171900961 10.693464904  0.000000000    -0.000013006  0.093507552  0.000000000
     0.000000000  0.000000000 19.979220675     0.000000000  0.000000000  0.050052002

  length of vectors
    12.346763157 12.346762860 19.979220675     0.093507551  0.093507553  0.050052002


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.401E-05 -.458E-04 -.960E+03   0.430E-05 -.274E-04 0.968E+03   0.144E-23 0.144E-23 -.791E+01   -.523E-07 0.246E-07 0.127E-01
   -.176E+02 -.304E+02 -.136E+03   0.184E+02 0.319E+02 0.138E+03   -.829E+00 -.144E+01 -.258E+01   -.266E-03 -.462E-03 -.122E-02
   0.176E+02 0.304E+02 -.136E+03   -.184E+02 -.319E+02 0.138E+03   0.829E+00 0.144E+01 -.258E+01   0.266E-03 0.462E-03 -.122E-02
   -.194E+01 0.112E+01 0.179E+02   0.195E+01 -.113E+01 -.179E+02   -.927E-02 0.535E-02 -.470E-02   0.632E-04 -.394E-04 0.171E-02
   0.576E+01 0.687E+01 0.206E+02   -.577E+01 -.691E+01 -.206E+02   0.597E-02 0.323E-01 -.152E-01   0.399E-04 -.109E-02 0.176E-02
   0.112E+02 0.500E+01 0.186E+02   -.113E+02 -.501E+01 -.185E+02   0.245E-01 0.894E-02 -.537E-01   -.113E-02 0.210E-02 -.299E-03
   0.453E+01 -.102E+01 0.163E+02   -.455E+01 0.104E+01 -.163E+02   0.210E-01 -.164E-01 -.306E-02   -.267E-03 0.652E-03 0.273E-03
   -.291E+01 -.239E+01 0.153E+02   0.292E+01 0.240E+01 -.153E+02   -.140E-01 -.138E-01 0.160E-02   0.112E-02 -.413E-04 -.439E-03
   0.615E+00 0.371E+01 0.153E+02   -.621E+00 -.373E+01 -.153E+02   0.494E-02 0.190E-01 0.160E-02   0.592E-03 -.958E-03 -.442E-03
   0.274E+01 0.181E+02 0.248E+02   -.275E+01 -.182E+02 -.248E+02   0.806E-02 0.113E+00 -.681E-02   -.627E-03 0.196E-02 -.831E-04
   0.214E+02 0.226E+02 0.393E+02   -.215E+02 -.228E+02 -.393E+02   0.116E+00 0.228E+00 -.206E-01   -.288E-02 -.166E-02 -.111E-02
   0.265E+02 -.447E+01 0.264E+02   -.267E+02 0.458E+01 -.264E+02   0.235E+00 -.119E+00 -.583E-01   -.121E-02 -.289E-03 -.381E-03
   0.912E+01 -.526E+01 0.155E+02   -.913E+01 0.527E+01 -.155E+02   0.200E-01 -.115E-01 0.465E-02   0.152E-02 -.883E-03 0.704E-04
   0.315E+01 -.341E+01 0.163E+02   -.317E+01 0.342E+01 -.163E+02   0.247E-01 -.100E-01 -.306E-02   -.701E-03 -.990E-04 0.265E-03
   -.601E+01 0.131E+02 0.199E+02   0.601E+01 -.132E+02 -.199E+02   -.833E-02 0.738E-01 -.927E-02   -.103E-02 -.120E-02 -.182E-03
   -.122E+02 0.334E+02 0.453E+02   0.123E+02 -.341E+02 -.456E+02   -.911E-01 0.679E+00 0.344E+00   0.595E-03 -.176E-02 -.626E-03
   0.263E+02 -.152E+02 0.688E+02   -.273E+02 0.157E+02 -.709E+02   0.965E+00 -.557E+00 0.210E+01   -.231E-02 0.133E-02 -.184E-02
   0.171E+02 -.207E+02 0.264E+02   -.173E+02 0.208E+02 -.264E+02   0.220E+00 -.144E+00 -.583E-01   -.358E-03 0.119E-02 -.386E-03
   0.128E+01 -.122E+02 0.186E+02   -.129E+01 0.123E+02 -.185E+02   0.452E-02 -.257E-01 -.537E-01   -.238E-02 -.684E-04 -.305E-03
   -.386E+01 0.157E+01 0.145E+02   0.386E+01 -.158E+01 -.145E+02   -.562E-02 0.641E-03 -.396E-01   0.194E-03 -.117E-02 -.670E-04
   -.182E+02 0.105E+02 0.205E+02   0.183E+02 -.105E+02 -.204E+02   -.635E-01 0.367E-01 -.129E+00   0.262E-02 -.151E-02 -.261E-03
   -.350E+02 -.611E+01 0.453E+02   0.357E+02 0.637E+01 -.456E+02   -.634E+00 -.261E+00 0.344E+00   0.183E-02 0.364E-03 -.623E-03
   -.884E+01 -.298E+02 0.393E+02   0.898E+01 0.301E+02 -.393E+02   -.139E+00 -.215E+00 -.206E-01   0.705E-06 0.332E-02 -.112E-02
   -.307E+01 -.843E+01 0.206E+02   0.310E+01 0.845E+01 -.206E+02   -.250E-01 -.213E-01 -.152E-01   0.967E-03 0.509E-03 0.176E-02
   0.126E+01 -.728E+00 0.152E+02   -.126E+01 0.727E+00 -.152E+02   -.540E-03 0.312E-03 -.342E-01   -.173E-03 0.102E-03 -.153E-03
   -.329E+01 0.255E+01 0.145E+02   0.330E+01 -.256E+01 -.145E+02   -.336E-02 0.454E-02 -.396E-01   0.112E-02 0.424E-03 -.622E-04
   -.144E+02 -.137E+01 0.199E+02   0.145E+02 0.140E+01 -.199E+02   -.681E-01 -.297E-01 -.927E-02   0.521E-03 0.149E-02 -.174E-03
   -.143E+02 -.114E+02 0.248E+02   0.144E+02 0.115E+02 -.248E+02   -.937E-01 -.634E-01 -.681E-02   -.201E-02 -.440E-03 -.801E-04
   0.307E+01 0.843E+01 0.206E+02   -.310E+01 -.845E+01 -.206E+02   0.250E-01 0.213E-01 -.152E-01   -.967E-03 -.509E-03 0.176E-02
   0.143E+02 0.114E+02 0.248E+02   -.144E+02 -.115E+02 -.248E+02   0.937E-01 0.634E-01 -.681E-02   0.201E-02 0.440E-03 -.801E-04
   0.144E+02 0.137E+01 0.199E+02   -.145E+02 -.140E+01 -.199E+02   0.681E-01 0.297E-01 -.927E-02   -.521E-03 -.149E-02 -.174E-03
   0.329E+01 -.255E+01 0.145E+02   -.330E+01 0.256E+01 -.145E+02   0.336E-02 -.454E-02 -.396E-01   -.112E-02 -.424E-03 -.622E-04
   -.126E+01 0.728E+00 0.152E+02   0.126E+01 -.727E+00 -.152E+02   0.540E-03 -.312E-03 -.342E-01   0.173E-03 -.102E-03 -.153E-03
   -.128E+01 0.122E+02 0.186E+02   0.129E+01 -.123E+02 -.185E+02   -.452E-02 0.257E-01 -.537E-01   0.238E-02 0.684E-04 -.305E-03
   0.884E+01 0.298E+02 0.393E+02   -.898E+01 -.301E+02 -.393E+02   0.139E+00 0.215E+00 -.206E-01   -.681E-06 -.332E-02 -.112E-02
   0.350E+02 0.611E+01 0.453E+02   -.357E+02 -.637E+01 -.456E+02   0.634E+00 0.261E+00 0.344E+00   -.183E-02 -.364E-03 -.623E-03
   0.182E+02 -.105E+02 0.205E+02   -.183E+02 0.105E+02 -.204E+02   0.635E-01 -.367E-01 -.129E+00   -.262E-02 0.151E-02 -.261E-03
   0.386E+01 -.157E+01 0.145E+02   -.386E+01 0.158E+01 -.145E+02   0.562E-02 -.641E-03 -.396E-01   -.194E-03 0.117E-02 -.670E-04
   -.315E+01 0.341E+01 0.163E+02   0.317E+01 -.342E+01 -.163E+02   -.247E-01 0.100E-01 -.306E-02   0.701E-03 0.990E-04 0.265E-03
   -.171E+02 0.207E+02 0.264E+02   0.173E+02 -.208E+02 -.264E+02   -.220E+00 0.144E+00 -.583E-01   0.358E-03 -.119E-02 -.386E-03
   -.263E+02 0.152E+02 0.688E+02   0.273E+02 -.157E+02 -.709E+02   -.965E+00 0.557E+00 0.210E+01   0.231E-02 -.133E-02 -.184E-02
   0.122E+02 -.334E+02 0.453E+02   -.123E+02 0.341E+02 -.456E+02   0.911E-01 -.679E+00 0.344E+00   -.595E-03 0.176E-02 -.626E-03
   0.601E+01 -.131E+02 0.199E+02   -.601E+01 0.132E+02 -.199E+02   0.833E-02 -.738E-01 -.927E-02   0.103E-02 0.120E-02 -.182E-03
   -.616E+00 -.371E+01 0.153E+02   0.621E+00 0.373E+01 -.153E+02   -.494E-02 -.190E-01 0.160E-02   -.592E-03 0.958E-03 -.442E-03
   -.912E+01 0.526E+01 0.155E+02   0.913E+01 -.527E+01 -.155E+02   -.200E-01 0.115E-01 0.465E-02   -.152E-02 0.883E-03 0.704E-04
   -.265E+02 0.447E+01 0.264E+02   0.267E+02 -.458E+01 -.264E+02   -.235E+00 0.119E+00 -.583E-01   0.121E-02 0.289E-03 -.381E-03
   -.214E+02 -.226E+02 0.393E+02   0.215E+02 0.228E+02 -.393E+02   -.116E+00 -.228E+00 -.206E-01   0.288E-02 0.166E-02 -.111E-02
   -.274E+01 -.181E+02 0.248E+02   0.275E+01 0.182E+02 -.248E+02   -.806E-02 -.113E+00 -.681E-02   0.627E-03 -.196E-02 -.831E-04
   0.194E+01 -.112E+01 0.179E+02   -.195E+01 0.113E+01 -.179E+02   0.927E-02 -.535E-02 -.470E-02   -.632E-04 0.394E-04 0.171E-02
   0.291E+01 0.239E+01 0.153E+02   -.292E+01 -.240E+01 -.153E+02   0.140E-01 0.138E-01 0.160E-02   -.112E-02 0.413E-04 -.439E-03
   -.453E+01 0.102E+01 0.163E+02   0.455E+01 -.104E+01 -.163E+02   -.210E-01 0.164E-01 -.306E-02   0.267E-03 -.652E-03 0.273E-03
   -.112E+02 -.500E+01 0.186E+02   0.113E+02 0.501E+01 -.185E+02   -.245E-01 -.894E-02 -.537E-01   0.113E-02 -.210E-02 -.299E-03
   -.576E+01 -.687E+01 0.206E+02   0.577E+01 0.691E+01 -.206E+02   -.597E-02 -.323E-01 -.152E-01   -.399E-04 0.109E-02 0.176E-02
 -----------------------------------------------------------------------------------------------
   -.183E-02 0.313E-03 0.865E+01   0.355E-14 0.252E-12 -.920E-12   -.454E-15 -.416E-16 -.865E+01   -.778E-07 0.454E-07 0.469E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85285      6.06037     12.32545         0.000000      0.000000      0.009365
      2.26105      6.76740     13.64389         0.002415      0.004183     -0.000234
      1.44465      5.35335     13.64389        -0.002415     -0.004183     -0.000234
      0.00057     -0.00033      9.93702        -0.000479      0.000277     -0.003389
     11.11159      2.13931      9.93923        -0.000040     -0.001879      0.000471
      9.87618      4.27866      9.95401        -0.001785      0.003697      0.000165
      8.64290      6.41783      9.95415         0.002534      0.002530     -0.000934
     -4.93592      8.55483      9.94786         0.001729      0.000695     -0.000736
      2.47010     -0.00107      9.94786         0.000262     -0.001845     -0.000736
      1.23474      2.13590      9.95346        -0.002786      0.006309      0.000351
     -0.00389      4.27461      9.98496        -0.003334     -0.001186     -0.003227
     -1.23826      6.41558      9.99143        -0.000865     -0.000335     -0.001083
     -2.46701      8.55445      9.96234         0.006698     -0.003867     -0.000474
      4.93832      0.00130      9.95415        -0.000924     -0.003460     -0.000934
      3.70476      2.13646      9.96260        -0.004857     -0.001618      0.000978
      2.47058      4.26287     10.02969        -0.000275      0.002450     -0.000714
      1.22844      6.42088     10.10136        -0.000554      0.000320      0.012175
     -0.00032      8.55976      9.99143        -0.000143      0.000916     -0.001083
      7.40753      0.00283      9.95401        -0.004094     -0.000302      0.000165
      6.17308      2.14002      9.95448         0.001338     -0.005347      0.001193
      4.94007      4.27797      9.98540         0.003133     -0.001809     -0.002405
      3.71840      6.42416     10.02969        -0.002259     -0.000987     -0.000714
      2.47100      8.56124      9.98496        -0.000640      0.003480     -0.003227
      9.87797      0.00262      9.93923         0.001608      0.000974      0.000471
      8.64219      2.14055      9.94328         0.001427     -0.000824     -0.003285
      7.40810      4.27913      9.95448         0.005299      0.001515      0.001193
      6.17702      6.41853      9.96260        -0.001027      0.005015      0.000978
      4.94249      8.55792      9.95346        -0.006857     -0.000742      0.000351
     -0.00036      1.42467      9.93923        -0.001608     -0.000974      0.000471
     -1.23678      3.56283      9.95346         0.006857      0.000742      0.000351
     -2.47131      5.70222      9.96260         0.001027     -0.005015      0.000978
     -3.70239      7.84162      9.95448        -0.005299     -0.001515      0.001193
     -4.93648      9.98019      9.94328        -0.001427      0.000824     -0.003285
      2.47008      1.42445      9.95401         0.004094      0.000302      0.000165
      1.23471      3.55951      9.98496         0.000640     -0.003480     -0.003227
     -0.01269      5.69659     10.02969         0.002259      0.000987     -0.000714
     -1.23436      7.84278      9.98540        -0.003133      0.001809     -0.002405
     -2.46737      9.98073      9.95448        -0.001338      0.005347      0.001193
      4.93929      1.42598      9.95415         0.000924      0.003460     -0.000934
      3.70602      3.56099      9.99143         0.000143     -0.000916     -0.001083
      2.47726      5.69987     10.10136         0.000554     -0.000320      0.012175
      1.23512      7.85788     10.02969         0.000275     -0.002450     -0.000714
      0.00094      9.98429      9.96260         0.004857      0.001618      0.000978
      7.40750      1.42836      9.94786        -0.000262      0.001845     -0.000736
      6.17271      3.56630      9.96234        -0.006698      0.003867     -0.000474
      4.94397      5.70517      9.99143         0.000865      0.000335     -0.001083
      3.70960      7.84614      9.98496         0.003334      0.001186     -0.003227
      2.47097      9.98485      9.95346         0.002786     -0.006309      0.000351
      9.87703      1.42761      9.93702         0.000479     -0.000277     -0.003389
      8.64163      3.56592      9.94786        -0.001729     -0.000695     -0.000736
      7.40957      5.70464      9.95415        -0.002534     -0.002530     -0.000934
      6.17629      7.84381      9.95401         0.001785     -0.003697      0.000165
      4.94088      9.98316      9.93923         0.000040      0.001879      0.000471
 -----------------------------------------------------------------------------------
    total drift:                               -0.001831      0.000313      0.005001


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




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


    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  189.20: CPU time   94.78
     LOOP+:  VPU time 5469.54: CPU time 2811.06


----------------------------------------- Iteration   20(   1)  ---------------------------------------


    POTLOK:  VPU time    9.32: CPU time    9.14
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1779.24: CPU time  919.92
 BZINTS: Fermi energy: -3.082243;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  113.44: CPU time   57.64
    MIXING:  VPU time    0.14: CPU time    0.14
    ------------------------------------------
      LOOP:  VPU time 1902.56: CPU time  987.22

 eigenvalue-minimisations  :  5920
 total energy-change (2. order) :-0.4716452E+03  (-0.3142305E-03)
 number of electron  212.0000065 magnetization    0.0000000
 augmentation part     7.9606938 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.15067E-02    rms(broyden)= 0.15065E-02
  rms(prec ) = 0.16618E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34042.46728864
  -1/2 Hartree   DENC   =    -40942.87483493
  -V(xc)+E(xc)   XCENC  =       726.62127795
  PAW double counting   =      4093.12851363    -4131.50287528
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2464.92440180
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64517819 eV

  energy without entropy =     -471.64517819  energy(sigma->0) =     -471.64517819


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




----------------------------------------- Iteration   20(   2)  ---------------------------------------


    POTLOK:  VPU time    9.17: CPU time    9.17
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1393.70: CPU time  721.52
 BZINTS: Fermi energy: -3.084077;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1403.29: CPU time  731.06

 eigenvalue-minimisations  :  4128
 total energy-change (2. order) : 0.1890417E-05  (-0.5130318E-05)
 number of electron  212.0000065 magnetization    0.0000000
 augmentation part     7.9606938 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34042.46728864
  -1/2 Hartree   DENC   =    -40942.72994582
  -V(xc)+E(xc)   XCENC  =       726.61711115
  PAW double counting   =      4093.00290042    -4131.37658145
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.06580285
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64517630 eV

  energy without entropy =     -471.64517630  energy(sigma->0) =     -471.64517630


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




 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 -58.5325       2 -39.9795       3 -39.9795       4 -58.2435       5 -58.2481
       6 -58.2552       7 -58.2459       8 -58.2442       9 -58.2441      10 -58.2601
      11 -58.3150      12 -58.2915      13 -58.2489      14 -58.2459      15 -58.2570
      16 -58.4365      17 -58.7296      18 -58.2915      19 -58.2552      20 -58.2494
      21 -58.2767      22 -58.4365      23 -58.3151      24 -58.2481      25 -58.2429
      26 -58.2494      27 -58.2570      28 -58.2601      29 -58.2480      30 -58.2600
      31 -58.2569      32 -58.2494      33 -58.2428      34 -58.2551      35 -58.3149
      36 -58.4365      37 -58.2766      38 -58.2493      39 -58.2458      40 -58.2914
      41 -58.7295      42 -58.4365      43 -58.2569      44 -58.2440      45 -58.2488
      46 -58.2914      47 -58.3150      48 -58.2600      49 -58.2434      50 -58.2440
      51 -58.2458      52 -58.2551      53 -58.2480
 
 
 
 E-fermi :  -3.0841     XC(G=0):  -2.3568     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     -22.3560      1.00000
      2     -21.5356      1.00000
      3     -21.4068      1.00000
      4     -21.4057      1.00000
      5     -21.3747      1.00000
      6     -21.3655      1.00000
      7     -21.3584      1.00000
      8     -19.6452      1.00000
      9     -19.5717      1.00000
     10     -19.5649      1.00000
     11     -19.5581      1.00000
     12     -19.5399      1.00000
     13     -19.5372      1.00000
     14     -18.7272      1.00000
     15     -18.6790      1.00000
     16     -18.6718      1.00000
     17     -18.6583      1.00000
     18     -18.6428      1.00000
     19     -18.6412      1.00000
     20     -16.5849      1.00000
     21     -16.5258      1.00000
     22     -16.5233      1.00000
     23     -16.5106      1.00000
     24     -16.4861      1.00000
     25     -16.4844      1.00000
     26     -15.5577      1.00000
     27     -15.5256      1.00000
     28     -15.5249      1.00000
     29     -15.4994      1.00000
     30     -15.4944      1.00000
     31     -15.4885      1.00000
     32     -14.2053      1.00000
     33     -14.1796      1.00000
     34     -14.1667      1.00000
     35     -14.1644      1.00000
     36     -14.1593      1.00000
     37     -14.1482      1.00000
     38     -11.8817      1.00000
     39     -11.8069      1.00000
     40     -11.7914      1.00000
     41     -11.7909      1.00000
     42     -11.7879      1.00000
     43     -11.7822      1.00000
     44     -11.7041      1.00000
     45     -11.6972      1.00000
     46     -11.6721      1.00000
     47     -11.6573      1.00000
     48     -11.6570      1.00000
     49     -11.6499      1.00000
     50     -10.6709      1.00000
     51     -10.3283      1.00000
     52     -10.3201      1.00000
     53     -10.3048      1.00000
     54     -10.3034      1.00000
     55     -10.2904      1.00000
     56     -10.2774      1.00000
     57      -9.9245      1.00000
     58      -9.3723      1.00000
     59      -9.3591      1.00000
     60      -9.3002      1.00000
     61      -9.2920      1.00000
     62      -9.2853      1.00000
     63      -9.0908      1.00000
     64      -9.0534      1.00000
     65      -9.0485      1.00000
     66      -9.0259      1.00000
     67      -9.0058      1.00000
     68      -9.0012      1.00000
     69      -8.9996      1.00000
     70      -8.9944      1.00000
     71      -8.9908      1.00000
     72      -8.9715      1.00000
     73      -8.9643      1.00000
     74      -8.9531      1.00000
     75      -8.4937      1.00000
     76      -7.5135      1.00000
     77      -7.4095      1.00000
     78      -7.4092      1.00000
     79      -7.3976      1.00000
     80      -7.3831      1.00000
     81      -7.3628      1.00000
     82      -7.3407      1.00000
     83      -7.3105      1.00000
     84      -7.2676      1.00000
     85      -7.2060      1.00000
     86      -7.1798      1.00000
     87      -7.1797      1.00000
     88      -7.0768      1.00000
     89      -6.5065      1.00000
     90      -6.4602      1.00000
     91      -6.3545      1.00000
     92      -6.2937      1.00000
     93      -6.2876      1.00000
     94      -6.2863      1.00000
     95      -5.8961      1.00000
     96      -5.8840      1.00000
     97      -5.0413      1.00000
     98      -4.9342      1.00000
     99      -4.5360      1.00000
    100      -4.3404      1.00000
    101      -4.3175      1.00000
    102      -4.3167      1.00000
    103      -4.1162      1.00000
    104      -3.9110      1.00000
    105      -3.9014      1.00000
    106      -3.8269      1.00000
    107      -1.6809      0.00000
    108      -1.6673      0.00000
    109      -1.5366      0.00000
    110      -1.5350      0.00000
    111      -1.5228      0.00000
    112      -1.5088      0.00000
    113      -0.5870      0.00000
    114       0.1336      0.00000
    115       0.2071      0.00000
    116       0.3253      0.00000
    117       0.3270      0.00000
    118       0.3342      0.00000
    119       0.4949      0.00000
    120       0.5936      0.00000
    121       1.2584      0.00000
    122       1.2689      0.00000
    123       1.5183      0.00000
    124       1.7733      0.00000
    125       1.8023      0.00000
    126       1.8057      0.00000
    127       1.8100      0.00000
    128       1.9457      0.00000
    129       1.9781      0.00000
    130       2.0326      0.00000
    131       2.0460      0.00000
    132       2.0512      0.00000
    133       2.0555      0.00000
    134       2.0583      0.00000
    135       2.3033      0.00000
    136       2.3155      0.00000
    137       2.6081      0.00000
    138       2.6159      0.00000
    139       2.6420      0.00000
    140       2.7046      0.00000
    141       2.8605      0.00000
    142       3.0089      0.00000
    143       3.0379      0.00000
    144       3.0546      0.00000
    145       3.0555      0.00000
    146       3.0606      0.00000
    147       3.0881      0.00000
    148       3.2215      0.00000
    149       3.4251      0.00000
    150       3.5351      0.00000
    151       3.7790      0.00000
    152       3.9283      0.00000
    153       3.9291      0.00000
    154       3.9341      0.00000
    155       3.9473      0.00000
    156       3.9967      0.00000
    157       4.1680      0.00000
    158       4.2538      0.00000
    159       4.2824      0.00000
    160       4.2831      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3194      1.00000
      2     -21.7608      1.00000
      3     -21.5702      1.00000
      4     -21.5376      1.00000
      5     -21.2073      1.00000
      6     -21.1626      1.00000
      7     -20.9869      1.00000
      8     -20.1011      1.00000
      9     -20.0573      1.00000
     10     -19.5457      1.00000
     11     -19.5212      1.00000
     12     -19.3487      1.00000
     13     -19.0241      1.00000
     14     -18.9890      1.00000
     15     -18.9810      1.00000
     16     -18.9688      1.00000
     17     -18.2968      1.00000
     18     -18.2775      1.00000
     19     -17.9515      1.00000
     20     -17.0088      1.00000
     21     -16.9591      1.00000
     22     -16.8781      1.00000
     23     -16.8680      1.00000
     24     -16.4041      1.00000
     25     -16.3893      1.00000
     26     -15.5512      1.00000
     27     -15.5352      1.00000
     28     -15.1969      1.00000
     29     -15.1685      1.00000
     30     -15.1141      1.00000
     31     -15.0270      1.00000
     32     -15.0024      1.00000
     33     -14.6355      1.00000
     34     -14.6238      1.00000
     35     -13.6665      1.00000
     36     -13.6513      1.00000
     37     -13.1689      1.00000
     38     -12.5499      1.00000
     39     -12.5170      1.00000
     40     -12.3904      1.00000
     41     -12.3774      1.00000
     42     -12.0563      1.00000
     43     -12.0336      1.00000
     44     -11.6582      1.00000
     45     -11.6164      1.00000
     46     -11.1794      1.00000
     47     -11.1558      1.00000
     48     -10.9638      1.00000
     49     -10.9400      1.00000
     50     -10.8725      1.00000
     51     -10.8365      1.00000
     52     -10.6008      1.00000
     53     -10.0923      1.00000
     54     -10.0878      1.00000
     55     -10.0446      1.00000
     56      -9.9698      1.00000
     57      -9.6534      1.00000
     58      -9.6285      1.00000
     59      -9.5916      1.00000
     60      -9.5288      1.00000
     61      -9.5097      1.00000
     62      -9.4787      1.00000
     63      -9.2635      1.00000
     64      -9.2404      1.00000
     65      -9.2202      1.00000
     66      -9.1655      1.00000
     67      -9.0682      1.00000
     68      -9.0463      1.00000
     69      -9.0400      1.00000
     70      -8.8824      1.00000
     71      -8.8053      1.00000
     72      -8.5755      1.00000
     73      -8.5213      1.00000
     74      -8.4575      1.00000
     75      -8.0342      1.00000
     76      -7.8101      1.00000
     77      -7.8063      1.00000
     78      -7.7918      1.00000
     79      -7.6994      1.00000
     80      -7.6900      1.00000
     81      -7.3643      1.00000
     82      -7.2729      1.00000
     83      -7.2634      1.00000
     84      -7.2158      1.00000
     85      -7.1723      1.00000
     86      -7.0086      1.00000
     87      -6.9464      1.00000
     88      -6.7451      1.00000
     89      -6.6718      1.00000
     90      -6.5942      1.00000
     91      -6.5592      1.00000
     92      -6.0492      1.00000
     93      -6.0458      1.00000
     94      -6.0207      1.00000
     95      -5.9583      1.00000
     96      -5.7360      1.00000
     97      -5.1511      1.00000
     98      -4.9873      1.00000
     99      -4.7174      1.00000
    100      -4.6105      1.00000
    101      -4.4384      1.00000
    102      -4.3726      1.00000
    103      -4.1208      1.00000
    104      -3.8672      1.00000
    105      -3.8276      1.00000
    106      -3.7902      1.00000
    107      -1.7848      0.00000
    108      -1.7383      0.00000
    109      -1.3941      0.00000
    110      -1.3458      0.00000
    111      -1.2643      0.00000
    112      -1.2256      0.00000
    113      -0.7453      0.00000
    114      -0.3798      0.00000
    115      -0.2200      0.00000
    116      -0.0196      0.00000
    117       0.5880      0.00000
    118       0.7364      0.00000
    119       0.7648      0.00000
    120       1.0502      0.00000
    121       1.1419      0.00000
    122       1.2499      0.00000
    123       1.2691      0.00000
    124       1.4121      0.00000
    125       1.4774      0.00000
    126       1.5784      0.00000
    127       1.7463      0.00000
    128       1.8355      0.00000
    129       1.8924      0.00000
    130       1.9582      0.00000
    131       2.0966      0.00000
    132       2.2314      0.00000
    133       2.2456      0.00000
    134       2.2907      0.00000
    135       2.4860      0.00000
    136       2.5962      0.00000
    137       2.6227      0.00000
    138       2.7624      0.00000
    139       2.7756      0.00000
    140       2.8351      0.00000
    141       2.8614      0.00000
    142       2.8885      0.00000
    143       2.9447      0.00000
    144       3.0770      0.00000
    145       3.2753      0.00000
    146       3.2862      0.00000
    147       3.3536      0.00000
    148       3.3834      0.00000
    149       3.4579      0.00000
    150       3.5659      0.00000
    151       3.6135      0.00000
    152       3.6625      0.00000
    153       3.6986      0.00000
    154       3.8948      0.00000
    155       3.9246      0.00000
    156       3.9761      0.00000
    157       4.0677      0.00000
    158       4.1866      0.00000
    159       4.2325      0.00000
    160       4.2878      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2137      1.00000
      2     -22.0076      1.00000
      3     -21.6489      1.00000
      4     -21.6120      1.00000
      5     -20.9125      1.00000
      6     -20.8663      1.00000
      7     -20.5452      1.00000
      8     -20.5060      1.00000
      9     -20.4957      1.00000
     10     -19.9632      1.00000
     11     -19.4419      1.00000
     12     -19.4149      1.00000
     13     -19.2412      1.00000
     14     -19.2268      1.00000
     15     -18.3835      1.00000
     16     -18.3395      1.00000
     17     -17.8594      1.00000
     18     -17.8384      1.00000
     19     -17.6973      1.00000
     20     -17.6549      1.00000
     21     -17.3715      1.00000
     22     -17.3555      1.00000
     23     -17.2739      1.00000
     24     -16.4005      1.00000
     25     -16.3858      1.00000
     26     -15.8960      1.00000
     27     -15.3519      1.00000
     28     -15.3366      1.00000
     29     -15.0340      1.00000
     30     -15.0203      1.00000
     31     -14.7989      1.00000
     32     -14.7742      1.00000
     33     -14.2211      1.00000
     34     -14.1893      1.00000
     35     -13.3701      1.00000
     36     -13.3366      1.00000
     37     -13.1190      1.00000
     38     -13.1017      1.00000
     39     -12.9158      1.00000
     40     -12.9024      1.00000
     41     -12.5559      1.00000
     42     -12.5380      1.00000
     43     -12.1324      1.00000
     44     -11.5208      1.00000
     45     -11.4733      1.00000
     46     -11.2527      1.00000
     47     -11.2192      1.00000
     48     -11.0787      1.00000
     49     -10.6568      1.00000
     50     -10.5878      1.00000
     51     -10.5218      1.00000
     52     -10.2571      1.00000
     53     -10.2483      1.00000
     54     -10.1222      1.00000
     55     -10.0482      1.00000
     56     -10.0401      1.00000
     57      -9.7688      1.00000
     58      -9.7044      1.00000
     59      -9.6793      1.00000
     60      -9.6299      1.00000
     61      -9.6259      1.00000
     62      -9.5878      1.00000
     63      -9.2936      1.00000
     64      -9.2845      1.00000
     65      -9.2524      1.00000
     66      -9.0855      1.00000
     67      -8.8963      1.00000
     68      -8.8828      1.00000
     69      -8.7246      1.00000
     70      -8.5877      1.00000
     71      -8.5132      1.00000
     72      -8.3306      1.00000
     73      -8.3021      1.00000
     74      -8.2636      1.00000
     75      -8.2321      1.00000
     76      -8.1944      1.00000
     77      -8.1852      1.00000
     78      -8.1699      1.00000
     79      -8.0994      1.00000
     80      -7.6882      1.00000
     81      -7.3566      1.00000
     82      -7.3093      1.00000
     83      -7.2647      1.00000
     84      -7.1861      1.00000
     85      -7.1248      1.00000
     86      -7.0766      1.00000
     87      -6.9066      1.00000
     88      -6.8824      1.00000
     89      -6.5483      1.00000
     90      -6.4915      1.00000
     91      -6.2086      1.00000
     92      -6.0680      1.00000
     93      -5.9405      1.00000
     94      -5.7129      1.00000
     95      -5.6323      1.00000
     96      -5.4514      1.00000
     97      -5.3038      1.00000
     98      -5.2337      1.00000
     99      -5.1518      1.00000
    100      -5.1512      1.00000
    101      -4.5193      1.00000
    102      -4.4692      1.00000
    103      -4.1396      1.00000
    104      -3.8307      1.00000
    105      -3.7563      1.00000
    106      -3.6801      1.00000
    107      -1.8706      0.00000
    108      -1.8238      0.00000
    109      -1.2767      0.00000
    110      -1.0358      0.00000
    111      -1.0117      0.00000
    112      -0.7123      0.00000
    113      -0.6395      0.00000
    114      -0.5880      0.00000
    115      -0.5456      0.00000
    116      -0.2046      0.00000
    117       0.2527      0.00000
    118       0.2791      0.00000
    119       0.7578      0.00000
    120       0.9427      0.00000
    121       1.1322      0.00000
    122       1.2261      0.00000
    123       1.3191      0.00000
    124       1.4098      0.00000
    125       1.5993      0.00000
    126       1.6340      0.00000
    127       1.6983      0.00000
    128       1.8178      0.00000
    129       1.9132      0.00000
    130       2.0089      0.00000
    131       2.0782      0.00000
    132       2.3040      0.00000
    133       2.3952      0.00000
    134       2.4301      0.00000
    135       2.5326      0.00000
    136       2.6317      0.00000
    137       2.7304      0.00000
    138       2.7935      0.00000
    139       2.8295      0.00000
    140       2.8805      0.00000
    141       3.0331      0.00000
    142       3.0882      0.00000
    143       3.1817      0.00000
    144       3.2288      0.00000
    145       3.3722      0.00000
    146       3.4186      0.00000
    147       3.4753      0.00000
    148       3.5650      0.00000
    149       3.5906      0.00000
    150       3.6248      0.00000
    151       3.6469      0.00000
    152       3.7355      0.00000
    153       3.7542      0.00000
    154       3.7750      0.00000
    155       3.7846      0.00000
    156       3.8823      0.00000
    157       3.9726      0.00000
    158       3.9929      0.00000
    159       4.1687      0.00000
    160       4.2179      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     -21.8230      1.00000
      4     -21.3112      1.00000
      5     -21.2812      1.00000
      6     -20.7699      1.00000
      7     -20.7044      1.00000
      8     -20.5558      1.00000
      9     -20.0083      1.00000
     10     -20.0009      1.00000
     11     -19.6473      1.00000
     12     -19.6232      1.00000
     13     -18.9289      1.00000
     14     -18.9204      1.00000
     15     -18.5699      1.00000
     16     -18.5561      1.00000
     17     -18.3933      1.00000
     18     -17.6140      1.00000
     19     -17.5581      1.00000
     20     -17.5529      1.00000
     21     -17.5116      1.00000
     22     -17.0550      1.00000
     23     -17.0375      1.00000
     24     -16.8905      1.00000
     25     -15.9287      1.00000
     26     -15.8667      1.00000
     27     -15.5157      1.00000
     28     -15.5149      1.00000
     29     -15.2277      1.00000
     30     -14.7936      1.00000
     31     -14.7665      1.00000
     32     -14.5143      1.00000
     33     -14.4704      1.00000
     34     -14.1010      1.00000
     35     -14.0898      1.00000
     36     -13.0752      1.00000
     37     -13.0321      1.00000
     38     -12.9660      1.00000
     39     -12.9540      1.00000
     40     -12.6443      1.00000
     41     -12.6379      1.00000
     42     -12.2732      1.00000
     43     -12.2421      1.00000
     44     -11.5860      1.00000
     45     -11.5596      1.00000
     46     -11.5057      1.00000
     47     -10.9029      1.00000
     48     -10.8501      1.00000
     49     -10.6192      1.00000
     50     -10.5579      1.00000
     51     -10.4835      1.00000
     52     -10.4327      1.00000
     53     -10.4230      1.00000
     54     -10.3699      1.00000
     55     -10.2929      1.00000
     56     -10.0644      1.00000
     57      -9.8333      1.00000
     58      -9.5470      1.00000
     59      -9.4876      1.00000
     60      -9.4686      1.00000
     61      -9.3454      1.00000
     62      -9.3300      1.00000
     63      -9.3096      1.00000
     64      -9.3074      1.00000
     65      -9.2139      1.00000
     66      -9.1107      1.00000
     67      -9.0797      1.00000
     68      -9.0489      1.00000
     69      -8.8465      1.00000
     70      -8.7920      1.00000
     71      -8.7731      1.00000
     72      -8.5270      1.00000
     73      -8.4745      1.00000
     74      -8.2203      1.00000
     75      -8.1094      1.00000
     76      -8.0982      1.00000
     77      -7.8066      1.00000
     78      -7.7823      1.00000
     79      -7.7802      1.00000
     80      -7.6729      1.00000
     81      -7.6305      1.00000
     82      -7.6296      1.00000
     83      -7.4016      1.00000
     84      -7.3243      1.00000
     85      -7.2020      1.00000
     86      -6.8386      1.00000
     87      -6.8278      1.00000
     88      -6.6592      1.00000
     89      -6.5383      1.00000
     90      -6.3432      1.00000
     91      -6.3064      1.00000
     92      -6.1839      1.00000
     93      -6.1462      1.00000
     94      -5.9770      1.00000
     95      -5.5710      1.00000
     96      -5.4255      1.00000
     97      -5.2584      1.00000
     98      -5.2454      1.00000
     99      -5.1485      1.00000
    100      -4.6945      1.00000
    101      -4.6644      1.00000
    102      -4.3490      1.00000
    103      -4.3120      1.00000
    104      -3.9625      1.00000
    105      -3.8233      1.00000
    106      -3.3900      1.00000
    107      -2.2199      0.00000
    108      -1.3763      0.00000
    109      -1.2863      0.00000
    110      -1.1729      0.00000
    111      -1.0774      0.00000
    112      -0.8935      0.00000
    113      -0.7678      0.00000
    114      -0.7570      0.00000
    115      -0.2209      0.00000
    116       0.1132      0.00000
    117       0.2644      0.00000
    118       0.3466      0.00000
    119       0.7320      0.00000
    120       0.9047      0.00000
    121       0.9718      0.00000
    122       1.0929      0.00000
    123       1.2039      0.00000
    124       1.5284      0.00000
    125       1.5615      0.00000
    126       1.7058      0.00000
    127       1.8383      0.00000
    128       1.8622      0.00000
    129       1.9520      0.00000
    130       1.9946      0.00000
    131       2.1452      0.00000
    132       2.2651      0.00000
    133       2.4281      0.00000
    134       2.4545      0.00000
    135       2.4915      0.00000
    136       2.6662      0.00000
    137       2.6847      0.00000
    138       2.7303      0.00000
    139       2.7371      0.00000
    140       2.8838      0.00000
    141       3.0192      0.00000
    142       3.0757      0.00000
    143       3.1809      0.00000
    144       3.2293      0.00000
    145       3.2397      0.00000
    146       3.2535      0.00000
    147       3.3461      0.00000
    148       3.4703      0.00000
    149       3.5265      0.00000
    150       3.6959      0.00000
    151       3.7333      0.00000
    152       3.7708      0.00000
    153       3.8219      0.00000
    154       3.8702      0.00000
    155       3.9386      0.00000
    156       3.9794      0.00000
    157       4.0018      0.00000
    158       4.0286      0.00000
    159       4.0364      0.00000
    160       4.1107      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1413      1.00000
      2     -22.0467      1.00000
      3     -21.8864      1.00000
      4     -21.3343      1.00000
      5     -20.9812      1.00000
      6     -20.9431      1.00000
      7     -20.4327      1.00000
      8     -20.3905      1.00000
      9     -20.2262      1.00000
     10     -20.2049      1.00000
     11     -19.8885      1.00000
     12     -19.8212      1.00000
     13     -18.8142      1.00000
     14     -18.7434      1.00000
     15     -18.2891      1.00000
     16     -18.2361      1.00000
     17     -18.0853      1.00000
     18     -18.0654      1.00000
     19     -17.7609      1.00000
     20     -17.7188      1.00000
     21     -17.1881      1.00000
     22     -17.1693      1.00000
     23     -17.0991      1.00000
     24     -17.0632      1.00000
     25     -16.0375      1.00000
     26     -15.8222      1.00000
     27     -15.7992      1.00000
     28     -15.7640      1.00000
     29     -15.1730      1.00000
     30     -14.4903      1.00000
     31     -14.4579      1.00000
     32     -14.2171      1.00000
     33     -13.8945      1.00000
     34     -13.8894      1.00000
     35     -13.7552      1.00000
     36     -13.7351      1.00000
     37     -13.5508      1.00000
     38     -13.5025      1.00000
     39     -13.2996      1.00000
     40     -12.5638      1.00000
     41     -12.1241      1.00000
     42     -12.0653      1.00000
     43     -12.0093      1.00000
     44     -11.9510      1.00000
     45     -11.6099      1.00000
     46     -11.5874      1.00000
     47     -11.0838      1.00000
     48     -11.0512      1.00000
     49     -10.7513      1.00000
     50     -10.6632      1.00000
     51     -10.5235      1.00000
     52     -10.1479      1.00000
     53     -10.1377      1.00000
     54     -10.0962      1.00000
     55      -9.9523      1.00000
     56      -9.9474      1.00000
     57      -9.9168      1.00000
     58      -9.7367      1.00000
     59      -9.7306      1.00000
     60      -9.6997      1.00000
     61      -9.6897      1.00000
     62      -9.4277      1.00000
     63      -9.3624      1.00000
     64      -9.0844      1.00000
     65      -9.0059      1.00000
     66      -8.9739      1.00000
     67      -8.8872      1.00000
     68      -8.8112      1.00000
     69      -8.6568      1.00000
     70      -8.6342      1.00000
     71      -8.5768      1.00000
     72      -8.4774      1.00000
     73      -8.4667      1.00000
     74      -8.3973      1.00000
     75      -8.3936      1.00000
     76      -8.1836      1.00000
     77      -8.1132      1.00000
     78      -7.9771      1.00000
     79      -7.9143      1.00000
     80      -7.8459      1.00000
     81      -7.6163      1.00000
     82      -7.5303      1.00000
     83      -7.4681      1.00000
     84      -7.2594      1.00000
     85      -6.9331      1.00000
     86      -6.8570      1.00000
     87      -6.8104      1.00000
     88      -6.5718      1.00000
     89      -6.4657      1.00000
     90      -6.4194      1.00000
     91      -6.3565      1.00000
     92      -6.0499      1.00000
     93      -5.8764      1.00000
     94      -5.7524      1.00000
     95      -5.7213      1.00000
     96      -5.4750      1.00000
     97      -5.3447      1.00000
     98      -5.1797      1.00000
     99      -5.1557      1.00000
    100      -5.1543      1.00000
    101      -4.7059      1.00000
    102      -4.4399      1.00000
    103      -4.2528      1.00000
    104      -3.9934      1.00000
    105      -3.8222      1.00000
    106      -3.1563      1.00000
    107      -2.4629      0.00000
    108      -1.3782      0.00000
    109      -1.2408      0.00000
    110      -1.1461      0.00000
    111      -1.1143      0.00000
    112      -0.5641      0.00000
    113      -0.4343      0.00000
    114      -0.4298      0.00000
    115      -0.3099      0.00000
    116      -0.1902      0.00000
    117       0.0623      0.00000
    118       0.1165      0.00000
    119       0.5403      0.00000
    120       0.6842      0.00000
    121       0.8694      0.00000
    122       0.9651      0.00000
    123       1.1081      0.00000
    124       1.4926      0.00000
    125       1.6597      0.00000
    126       1.7985      0.00000
    127       1.8703      0.00000
    128       2.0900      0.00000
    129       2.1052      0.00000
    130       2.1821      0.00000
    131       2.2097      0.00000
    132       2.3396      0.00000
    133       2.3412      0.00000
    134       2.4821      0.00000
    135       2.5682      0.00000
    136       2.6663      0.00000
    137       2.8786      0.00000
    138       2.9377      0.00000
    139       2.9625      0.00000
    140       2.9788      0.00000
    141       3.0316      0.00000
    142       3.1479      0.00000
    143       3.1593      0.00000
    144       3.2329      0.00000
    145       3.2882      0.00000
    146       3.3313      0.00000
    147       3.3489      0.00000
    148       3.3786      0.00000
    149       3.3908      0.00000
    150       3.4927      0.00000
    151       3.5370      0.00000
    152       3.6148      0.00000
    153       3.6701      0.00000
    154       3.7031      0.00000
    155       3.7049      0.00000
    156       3.9161      0.00000
    157       3.9257      0.00000
    158       4.0503      0.00000
    159       4.0845      0.00000
    160       4.1926      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     -21.8214      1.00000
      4     -21.3158      1.00000
      5     -21.2772      1.00000
      6     -20.7710      1.00000
      7     -20.7023      1.00000
      8     -20.5542      1.00000
      9     -20.0222      1.00000
     10     -19.9902      1.00000
     11     -19.6498      1.00000
     12     -19.6189      1.00000
     13     -18.9427      1.00000
     14     -18.9083      1.00000
     15     -18.5835      1.00000
     16     -18.5462      1.00000
     17     -18.3916      1.00000
     18     -17.6011      1.00000
     19     -17.5700      1.00000
     20     -17.5407      1.00000
     21     -17.5079      1.00000
     22     -17.0736      1.00000
     23     -17.0270      1.00000
     24     -16.8995      1.00000
     25     -15.9447      1.00000
     26     -15.8506      1.00000
     27     -15.5325      1.00000
     28     -15.5061      1.00000
     29     -15.2086      1.00000
     30     -14.8130      1.00000
     31     -14.7608      1.00000
     32     -14.5088      1.00000
     33     -14.4671      1.00000
     34     -14.0955      1.00000
     35     -14.0924      1.00000
     36     -13.1036      1.00000
     37     -13.0291      1.00000
     38     -12.9559      1.00000
     39     -12.9488      1.00000
     40     -12.6547      1.00000
     41     -12.6266      1.00000
     42     -12.2735      1.00000
     43     -12.2465      1.00000
     44     -11.5720      1.00000
     45     -11.5526      1.00000
     46     -11.5000      1.00000
     47     -10.8768      1.00000
     48     -10.8677      1.00000
     49     -10.6791      1.00000
     50     -10.5243      1.00000
     51     -10.5189      1.00000
     52     -10.4327      1.00000
     53     -10.4154      1.00000
     54     -10.3693      1.00000
     55     -10.2871      1.00000
     56     -10.0599      1.00000
     57      -9.8320      1.00000
     58      -9.5576      1.00000
     59      -9.4837      1.00000
     60      -9.4431      1.00000
     61      -9.3548      1.00000
     62      -9.3384      1.00000
     63      -9.3069      1.00000
     64      -9.3017      1.00000
     65      -9.2057      1.00000
     66      -9.0985      1.00000
     67      -9.0676      1.00000
     68      -9.0482      1.00000
     69      -8.8493      1.00000
     70      -8.7960      1.00000
     71      -8.7770      1.00000
     72      -8.5266      1.00000
     73      -8.4956      1.00000
     74      -8.2253      1.00000
     75      -8.1283      1.00000
     76      -8.0921      1.00000
     77      -7.8055      1.00000
     78      -7.7664      1.00000
     79      -7.7393      1.00000
     80      -7.7022      1.00000
     81      -7.6346      1.00000
     82      -7.6235      1.00000
     83      -7.3880      1.00000
     84      -7.3440      1.00000
     85      -7.2211      1.00000
     86      -6.8423      1.00000
     87      -6.8198      1.00000
     88      -6.6379      1.00000
     89      -6.5290      1.00000
     90      -6.3404      1.00000
     91      -6.2721      1.00000
     92      -6.1947      1.00000
     93      -6.1310      1.00000
     94      -6.0196      1.00000
     95      -5.6339      1.00000
     96      -5.5075      1.00000
     97      -5.2971      1.00000
     98      -5.1556      1.00000
     99      -5.0386      1.00000
    100      -4.7243      1.00000
    101      -4.6848      1.00000
    102      -4.3675      1.00000
    103      -4.1833      1.00000
    104      -4.0063      1.00000
    105      -3.8217      1.00000
    106      -3.4841      1.00000
    107      -2.1643      0.00000
    108      -1.3828      0.00000
    109      -1.2352      0.00000
    110      -1.1847      0.00000
    111      -1.0139      0.00000
    112      -0.9556      0.00000
    113      -0.7971      0.00000
    114      -0.7518      0.00000
    115      -0.3674      0.00000
    116       0.2457      0.00000
    117       0.2770      0.00000
    118       0.3643      0.00000
    119       0.6978      0.00000
    120       0.8686      0.00000
    121       0.9662      0.00000
    122       1.1239      0.00000
    123       1.2334      0.00000
    124       1.4526      0.00000
    125       1.5530      0.00000
    126       1.7782      0.00000
    127       1.8485      0.00000
    128       1.8750      0.00000
    129       1.9817      0.00000
    130       2.0218      0.00000
    131       2.1818      0.00000
    132       2.2088      0.00000
    133       2.3999      0.00000
    134       2.4191      0.00000
    135       2.5348      0.00000
    136       2.6583      0.00000
    137       2.6847      0.00000
    138       2.7267      0.00000
    139       2.7606      0.00000
    140       2.8470      0.00000
    141       2.9637      0.00000
    142       3.0719      0.00000
    143       3.1709      0.00000
    144       3.2206      0.00000
    145       3.2439      0.00000
    146       3.2771      0.00000
    147       3.3167      0.00000
    148       3.4705      0.00000
    149       3.5061      0.00000
    150       3.6946      0.00000
    151       3.7184      0.00000
    152       3.7696      0.00000
    153       3.8538      0.00000
    154       3.8654      0.00000
    155       3.8913      0.00000
    156       3.9775      0.00000
    157       3.9939      0.00000
    158       4.0276      0.00000
    159       4.0483      0.00000
    160       4.0831      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3194      1.00000
      2     -21.7611      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     -20.0982      1.00000
      9     -20.0595      1.00000
     10     -19.5457      1.00000
     11     -19.5259      1.00000
     12     -19.3444      1.00000
     13     -19.0274      1.00000
     14     -18.9877      1.00000
     15     -18.9773      1.00000
     16     -18.9716      1.00000
     17     -18.2953      1.00000
     18     -18.2822      1.00000
     19     -17.9457      1.00000
     20     -16.9997      1.00000
     21     -16.9589      1.00000
     22     -16.8819      1.00000
     23     -16.8693      1.00000
     24     -16.4154      1.00000
     25     -16.3927      1.00000
     26     -15.5403      1.00000
     27     -15.5370      1.00000
     28     -15.1723      1.00000
     29     -15.1706      1.00000
     30     -15.1302      1.00000
     31     -15.0357      1.00000
     32     -15.0006      1.00000
     33     -14.6329      1.00000
     34     -14.6258      1.00000
     35     -13.6621      1.00000
     36     -13.6522      1.00000
     37     -13.1702      1.00000
     38     -12.5717      1.00000
     39     -12.5126      1.00000
     40     -12.3852      1.00000
     41     -12.3844      1.00000
     42     -12.0346      1.00000
     43     -12.0303      1.00000
     44     -11.6542      1.00000
     45     -11.6142      1.00000
     46     -11.2047      1.00000
     47     -11.1564      1.00000
     48     -10.9541      1.00000
     49     -10.9416      1.00000
     50     -10.8597      1.00000
     51     -10.8276      1.00000
     52     -10.6225      1.00000
     53     -10.1451      1.00000
     54     -10.0836      1.00000
     55     -10.0243      1.00000
     56      -9.9449      1.00000
     57      -9.6307      1.00000
     58      -9.6286      1.00000
     59      -9.6024      1.00000
     60      -9.5398      1.00000
     61      -9.5024      1.00000
     62      -9.4791      1.00000
     63      -9.2715      1.00000
     64      -9.2347      1.00000
     65      -9.2066      1.00000
     66      -9.1788      1.00000
     67      -9.0623      1.00000
     68      -9.0462      1.00000
     69      -9.0426      1.00000
     70      -8.8768      1.00000
     71      -8.8079      1.00000
     72      -8.5335      1.00000
     73      -8.5322      1.00000
     74      -8.4977      1.00000
     75      -8.0300      1.00000
     76      -7.8310      1.00000
     77      -7.7989      1.00000
     78      -7.7737      1.00000
     79      -7.7022      1.00000
     80      -7.6838      1.00000
     81      -7.4147      1.00000
     82      -7.2866      1.00000
     83      -7.2511      1.00000
     84      -7.2022      1.00000
     85      -7.0803      1.00000
     86      -7.0765      1.00000
     87      -6.9374      1.00000
     88      -6.7102      1.00000
     89      -6.6736      1.00000
     90      -6.6290      1.00000
     91      -6.5572      1.00000
     92      -6.0703      1.00000
     93      -6.0306      1.00000
     94      -5.9999      1.00000
     95      -5.9374      1.00000
     96      -5.7985      1.00000
     97      -5.1775      1.00000
     98      -4.8921      1.00000
     99      -4.7922      1.00000
    100      -4.6103      1.00000
    101      -4.5116      1.00000
    102      -4.1384      1.00000
    103      -4.0909      1.00000
    104      -3.9309      1.00000
    105      -3.9150      1.00000
    106      -3.8211      1.00000
    107      -1.7514      0.00000
    108      -1.6959      0.00000
    109      -1.4098      0.00000
    110      -1.3707      0.00000
    111      -1.2642      0.00000
    112      -1.2357      0.00000
    113      -0.6247      0.00000
    114      -0.5982      0.00000
    115      -0.1896      0.00000
    116       0.0413      0.00000
    117       0.5820      0.00000
    118       0.7410      0.00000
    119       0.8499      0.00000
    120       0.9272      0.00000
    121       1.1680      0.00000
    122       1.2103      0.00000
    123       1.2454      0.00000
    124       1.4168      0.00000
    125       1.5955      0.00000
    126       1.6321      0.00000
    127       1.7031      0.00000
    128       1.7901      0.00000
    129       1.9200      0.00000
    130       1.9408      0.00000
    131       2.1370      0.00000
    132       2.1714      0.00000
    133       2.2567      0.00000
    134       2.2952      0.00000
    135       2.5391      0.00000
    136       2.5561      0.00000
    137       2.6091      0.00000
    138       2.7548      0.00000
    139       2.7896      0.00000
    140       2.8210      0.00000
    141       2.8934      0.00000
    142       2.9272      0.00000
    143       3.0088      0.00000
    144       3.0257      0.00000
    145       3.0821      0.00000
    146       3.2902      0.00000
    147       3.3414      0.00000
    148       3.3986      0.00000
    149       3.4675      0.00000
    150       3.5837      0.00000
    151       3.6432      0.00000
    152       3.6494      0.00000
    153       3.6737      0.00000
    154       3.8798      0.00000
    155       3.9603      0.00000
    156       4.0067      0.00000
    157       4.0693      0.00000
    158       4.2221      0.00000
    159       4.2505      0.00000
    160       4.2528      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1403      1.00000
      2     -22.0482      1.00000
      3     -21.8859      1.00000
      4     -21.3352      1.00000
      5     -20.9764      1.00000
      6     -20.9471      1.00000
      7     -20.4276      1.00000
      8     -20.3958      1.00000
      9     -20.2157      1.00000
     10     -20.2139      1.00000
     11     -19.8873      1.00000
     12     -19.8239      1.00000
     13     -18.8171      1.00000
     14     -18.7467      1.00000
     15     -18.2652      1.00000
     16     -18.2514      1.00000
     17     -18.0798      1.00000
     18     -18.0733      1.00000
     19     -17.7453      1.00000
     20     -17.7298      1.00000
     21     -17.1943      1.00000
     22     -17.1711      1.00000
     23     -17.0881      1.00000
     24     -17.0676      1.00000
     25     -16.0535      1.00000
     26     -15.8080      1.00000
     27     -15.7986      1.00000
     28     -15.7772      1.00000
     29     -15.1584      1.00000
     30     -14.4850      1.00000
     31     -14.4638      1.00000
     32     -14.2034      1.00000
     33     -13.9156      1.00000
     34     -13.8860      1.00000
     35     -13.7585      1.00000
     36     -13.7381      1.00000
     37     -13.5355      1.00000
     38     -13.5099      1.00000
     39     -13.3011      1.00000
     40     -12.5762      1.00000
     41     -12.1003      1.00000
     42     -12.0764      1.00000
     43     -11.9979      1.00000
     44     -11.9506      1.00000
     45     -11.6046      1.00000
     46     -11.5972      1.00000
     47     -11.0833      1.00000
     48     -11.0604      1.00000
     49     -10.7309      1.00000
     50     -10.6642      1.00000
     51     -10.5556      1.00000
     52     -10.1391      1.00000
     53     -10.1345      1.00000
     54     -10.1009      1.00000
     55      -9.9656      1.00000
     56      -9.9247      1.00000
     57      -9.9214      1.00000
     58      -9.7496      1.00000
     59      -9.7284      1.00000
     60      -9.6967      1.00000
     61      -9.6940      1.00000
     62      -9.3999      1.00000
     63      -9.3885      1.00000
     64      -9.0677      1.00000
     65      -8.9815      1.00000
     66      -8.9807      1.00000
     67      -8.9046      1.00000
     68      -8.8120      1.00000
     69      -8.6487      1.00000
     70      -8.6330      1.00000
     71      -8.5465      1.00000
     72      -8.5009      1.00000
     73      -8.4819      1.00000
     74      -8.3937      1.00000
     75      -8.3817      1.00000
     76      -8.2090      1.00000
     77      -8.1011      1.00000
     78      -8.0067      1.00000
     79      -7.9010      1.00000
     80      -7.8425      1.00000
     81      -7.6212      1.00000
     82      -7.5333      1.00000
     83      -7.4556      1.00000
     84      -7.2558      1.00000
     85      -6.9418      1.00000
     86      -6.8678      1.00000
     87      -6.8093      1.00000
     88      -6.4774      1.00000
     89      -6.4671      1.00000
     90      -6.4090      1.00000
     91      -6.3596      1.00000
     92      -6.1852      1.00000
     93      -5.8578      1.00000
     94      -5.7372      1.00000
     95      -5.7110      1.00000
     96      -5.5211      1.00000
     97      -5.3283      1.00000
     98      -5.1717      1.00000
     99      -5.1672      1.00000
    100      -5.1337      1.00000
    101      -4.6950      1.00000
    102      -4.3484      1.00000
    103      -4.2773      1.00000
    104      -4.0258      1.00000
    105      -3.8231      1.00000
    106      -3.2330      1.00000
    107      -2.4053      0.00000
    108      -1.3446      0.00000
    109      -1.2435      0.00000
    110      -1.1532      0.00000
    111      -1.1082      0.00000
    112      -0.5832      0.00000
    113      -0.5212      0.00000
    114      -0.4333      0.00000
    115      -0.2744      0.00000
    116      -0.0716      0.00000
    117      -0.0112      0.00000
    118       0.0604      0.00000
    119       0.5841      0.00000
    120       0.7107      0.00000
    121       0.8082      0.00000
    122       0.9401      0.00000
    123       1.1799      0.00000
    124       1.5063      0.00000
    125       1.6176      0.00000
    126       1.8529      0.00000
    127       2.0016      0.00000
    128       2.0477      0.00000
    129       2.1092      0.00000
    130       2.1140      0.00000
    131       2.2412      0.00000
    132       2.2855      0.00000
    133       2.3428      0.00000
    134       2.4468      0.00000
    135       2.6039      0.00000
    136       2.6977      0.00000
    137       2.8175      0.00000
    138       2.9149      0.00000
    139       2.9414      0.00000
    140       2.9982      0.00000
    141       3.0386      0.00000
    142       3.1434      0.00000
    143       3.1556      0.00000
    144       3.2120      0.00000
    145       3.2981      0.00000
    146       3.3073      0.00000
    147       3.3523      0.00000
    148       3.3709      0.00000
    149       3.4138      0.00000
    150       3.4234      0.00000
    151       3.5428      0.00000
    152       3.5989      0.00000
    153       3.6772      0.00000
    154       3.7042      0.00000
    155       3.8443      0.00000
    156       3.8898      0.00000
    157       3.9304      0.00000
    158       3.9527      0.00000
    159       4.1430      0.00000
    160       4.1775      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2132      1.00000
      2     -22.0083      1.00000
      3     -21.6462      1.00000
      4     -21.6150      1.00000
      5     -20.9096      1.00000
      6     -20.8691      1.00000
      7     -20.5390      1.00000
      8     -20.5065      1.00000
      9     -20.4997      1.00000
     10     -19.9622      1.00000
     11     -19.4404      1.00000
     12     -19.4189      1.00000
     13     -19.2398      1.00000
     14     -19.2328      1.00000
     15     -18.3758      1.00000
     16     -18.3408      1.00000
     17     -17.8584      1.00000
     18     -17.8426      1.00000
     19     -17.6909      1.00000
     20     -17.6550      1.00000
     21     -17.3718      1.00000
     22     -17.3578      1.00000
     23     -17.2667      1.00000
     24     -16.4130      1.00000
     25     -16.3895      1.00000
     26     -15.9045      1.00000
     27     -15.3432      1.00000
     28     -15.3383      1.00000
     29     -15.0307      1.00000
     30     -15.0210      1.00000
     31     -14.7759      1.00000
     32     -14.7734      1.00000
     33     -14.2368      1.00000
     34     -14.1866      1.00000
     35     -13.3867      1.00000
     36     -13.3329      1.00000
     37     -13.1106      1.00000
     38     -13.1024      1.00000
     39     -12.9175      1.00000
     40     -12.9120      1.00000
     41     -12.5448      1.00000
     42     -12.5370      1.00000
     43     -12.1328      1.00000
     44     -11.5131      1.00000
     45     -11.4690      1.00000
     46     -11.2442      1.00000
     47     -11.2128      1.00000
     48     -11.0854      1.00000
     49     -10.7026      1.00000
     50     -10.5949      1.00000
     51     -10.5077      1.00000
     52     -10.2510      1.00000
     53     -10.2467      1.00000
     54     -10.1210      1.00000
     55     -10.0535      1.00000
     56     -10.0385      1.00000
     57      -9.7840      1.00000
     58      -9.6863      1.00000
     59      -9.6733      1.00000
     60      -9.6372      1.00000
     61      -9.6273      1.00000
     62      -9.5860      1.00000
     63      -9.2948      1.00000
     64      -9.2829      1.00000
     65      -9.2524      1.00000
     66      -9.0630      1.00000
     67      -8.8941      1.00000
     68      -8.8831      1.00000
     69      -8.7186      1.00000
     70      -8.5798      1.00000
     71      -8.5255      1.00000
     72      -8.3502      1.00000
     73      -8.3043      1.00000
     74      -8.2429      1.00000
     75      -8.2368      1.00000
     76      -8.1939      1.00000
     77      -8.1808      1.00000
     78      -8.1690      1.00000
     79      -8.1062      1.00000
     80      -7.6892      1.00000
     81      -7.4191      1.00000
     82      -7.3423      1.00000
     83      -7.2589      1.00000
     84      -7.1678      1.00000
     85      -7.1099      1.00000
     86      -7.0049      1.00000
     87      -6.9036      1.00000
     88      -6.8482      1.00000
     89      -6.5410      1.00000
     90      -6.4976      1.00000
     91      -6.2079      1.00000
     92      -6.2007      1.00000
     93      -5.8941      1.00000
     94      -5.6721      1.00000
     95      -5.6060      1.00000
     96      -5.5800      1.00000
     97      -5.2529      1.00000
     98      -5.2306      1.00000
     99      -5.1645      1.00000
    100      -5.1343      1.00000
    101      -4.5980      1.00000
    102      -4.2477      1.00000
    103      -4.0423      1.00000
    104      -3.8841      1.00000
    105      -3.8372      1.00000
    106      -3.7993      1.00000
    107      -1.8077      0.00000
    108      -1.7806      0.00000
    109      -1.2247      0.00000
    110      -1.1752      0.00000
    111      -0.9738      0.00000
    112      -0.7341      0.00000
    113      -0.6497      0.00000
    114      -0.5935      0.00000
    115      -0.5493      0.00000
    116      -0.1548      0.00000
    117       0.1768      0.00000
    118       0.2884      0.00000
    119       0.7039      0.00000
    120       0.9461      0.00000
    121       1.1693      0.00000
    122       1.2784      0.00000
    123       1.3419      0.00000
    124       1.5083      0.00000
    125       1.6068      0.00000
    126       1.6267      0.00000
    127       1.6921      0.00000
    128       1.7713      0.00000
    129       1.8539      0.00000
    130       2.0531      0.00000
    131       2.1516      0.00000
    132       2.3016      0.00000
    133       2.3907      0.00000
    134       2.4182      0.00000
    135       2.5505      0.00000
    136       2.6227      0.00000
    137       2.6839      0.00000
    138       2.7194      0.00000
    139       2.7886      0.00000
    140       2.9011      0.00000
    141       3.0413      0.00000
    142       3.0601      0.00000
    143       3.1761      0.00000
    144       3.2721      0.00000
    145       3.3768      0.00000
    146       3.3996      0.00000
    147       3.4531      0.00000
    148       3.5375      0.00000
    149       3.5625      0.00000
    150       3.6280      0.00000
    151       3.6575      0.00000
    152       3.7009      0.00000
    153       3.7647      0.00000
    154       3.7679      0.00000
    155       3.8191      0.00000
    156       3.8881      0.00000
    157       3.8933      0.00000
    158       3.9613      0.00000
    159       4.1840      0.00000
    160       4.2184      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3560      1.00000
      2     -21.5356      1.00000
      3     -21.4068      1.00000
      4     -21.4057      1.00000
      5     -21.3747      1.00000
      6     -21.3655      1.00000
      7     -21.3584      1.00000
      8     -19.6452      1.00000
      9     -19.5717      1.00000
     10     -19.5649      1.00000
     11     -19.5581      1.00000
     12     -19.5399      1.00000
     13     -19.5372      1.00000
     14     -18.7272      1.00000
     15     -18.6790      1.00000
     16     -18.6718      1.00000
     17     -18.6583      1.00000
     18     -18.6428      1.00000
     19     -18.6412      1.00000
     20     -16.5849      1.00000
     21     -16.5258      1.00000
     22     -16.5233      1.00000
     23     -16.5106      1.00000
     24     -16.4861      1.00000
     25     -16.4844      1.00000
     26     -15.5577      1.00000
     27     -15.5256      1.00000
     28     -15.5249      1.00000
     29     -15.4994      1.00000
     30     -15.4944      1.00000
     31     -15.4885      1.00000
     32     -14.2053      1.00000
     33     -14.1796      1.00000
     34     -14.1667      1.00000
     35     -14.1644      1.00000
     36     -14.1593      1.00000
     37     -14.1482      1.00000
     38     -11.8817      1.00000
     39     -11.8069      1.00000
     40     -11.7914      1.00000
     41     -11.7909      1.00000
     42     -11.7879      1.00000
     43     -11.7822      1.00000
     44     -11.7041      1.00000
     45     -11.6972      1.00000
     46     -11.6721      1.00000
     47     -11.6573      1.00000
     48     -11.6570      1.00000
     49     -11.6499      1.00000
     50     -10.6709      1.00000
     51     -10.3283      1.00000
     52     -10.3201      1.00000
     53     -10.3048      1.00000
     54     -10.3034      1.00000
     55     -10.2904      1.00000
     56     -10.2774      1.00000
     57      -9.9245      1.00000
     58      -9.3723      1.00000
     59      -9.3591      1.00000
     60      -9.3002      1.00000
     61      -9.2920      1.00000
     62      -9.2853      1.00000
     63      -9.0908      1.00000
     64      -9.0534      1.00000
     65      -9.0485      1.00000
     66      -9.0259      1.00000
     67      -9.0058      1.00000
     68      -9.0012      1.00000
     69      -8.9996      1.00000
     70      -8.9944      1.00000
     71      -8.9908      1.00000
     72      -8.9715      1.00000
     73      -8.9643      1.00000
     74      -8.9531      1.00000
     75      -8.4937      1.00000
     76      -7.5135      1.00000
     77      -7.4095      1.00000
     78      -7.4092      1.00000
     79      -7.3976      1.00000
     80      -7.3831      1.00000
     81      -7.3628      1.00000
     82      -7.3407      1.00000
     83      -7.3105      1.00000
     84      -7.2676      1.00000
     85      -7.2060      1.00000
     86      -7.1798      1.00000
     87      -7.1797      1.00000
     88      -7.0768      1.00000
     89      -6.5065      1.00000
     90      -6.4602      1.00000
     91      -6.3545      1.00000
     92      -6.2937      1.00000
     93      -6.2876      1.00000
     94      -6.2863      1.00000
     95      -5.8961      1.00000
     96      -5.8840      1.00000
     97      -5.0413      1.00000
     98      -4.9342      1.00000
     99      -4.5360      1.00000
    100      -4.3404      1.00000
    101      -4.3175      1.00000
    102      -4.3167      1.00000
    103      -4.1162      1.00000
    104      -3.9110      1.00000
    105      -3.9014      1.00000
    106      -3.8269      1.00000
    107      -1.6809      0.00000
    108      -1.6673      0.00000
    109      -1.5366      0.00000
    110      -1.5350      0.00000
    111      -1.5228      0.00000
    112      -1.5088      0.00000
    113      -0.5870      0.00000
    114       0.1336      0.00000
    115       0.2071      0.00000
    116       0.3253      0.00000
    117       0.3270      0.00000
    118       0.3342      0.00000
    119       0.4949      0.00000
    120       0.5936      0.00000
    121       1.2584      0.00000
    122       1.2689      0.00000
    123       1.5183      0.00000
    124       1.7733      0.00000
    125       1.8023      0.00000
    126       1.8057      0.00000
    127       1.8100      0.00000
    128       1.9457      0.00000
    129       1.9781      0.00000
    130       2.0326      0.00000
    131       2.0460      0.00000
    132       2.0512      0.00000
    133       2.0555      0.00000
    134       2.0583      0.00000
    135       2.3033      0.00000
    136       2.3155      0.00000
    137       2.6081      0.00000
    138       2.6159      0.00000
    139       2.6420      0.00000
    140       2.7046      0.00000
    141       2.8605      0.00000
    142       3.0089      0.00000
    143       3.0380      0.00000
    144       3.0546      0.00000
    145       3.0555      0.00000
    146       3.0606      0.00000
    147       3.0881      0.00000
    148       3.2215      0.00000
    149       3.4251      0.00000
    150       3.5351      0.00000
    151       3.7790      0.00000
    152       3.9283      0.00000
    153       3.9291      0.00000
    154       3.9341      0.00000
    155       3.9473      0.00000
    156       3.9967      0.00000
    157       4.1680      0.00000
    158       4.2538      0.00000
    159       4.2824      0.00000
    160       4.2831      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3194      1.00000
      2     -21.7608      1.00000
      3     -21.5702      1.00000
      4     -21.5376      1.00000
      5     -21.2073      1.00000
      6     -21.1626      1.00000
      7     -20.9869      1.00000
      8     -20.1011      1.00000
      9     -20.0573      1.00000
     10     -19.5457      1.00000
     11     -19.5212      1.00000
     12     -19.3487      1.00000
     13     -19.0241      1.00000
     14     -18.9890      1.00000
     15     -18.9810      1.00000
     16     -18.9688      1.00000
     17     -18.2968      1.00000
     18     -18.2775      1.00000
     19     -17.9515      1.00000
     20     -17.0088      1.00000
     21     -16.9591      1.00000
     22     -16.8781      1.00000
     23     -16.8680      1.00000
     24     -16.4041      1.00000
     25     -16.3893      1.00000
     26     -15.5512      1.00000
     27     -15.5352      1.00000
     28     -15.1969      1.00000
     29     -15.1685      1.00000
     30     -15.1141      1.00000
     31     -15.0270      1.00000
     32     -15.0024      1.00000
     33     -14.6355      1.00000
     34     -14.6238      1.00000
     35     -13.6665      1.00000
     36     -13.6513      1.00000
     37     -13.1689      1.00000
     38     -12.5499      1.00000
     39     -12.5170      1.00000
     40     -12.3904      1.00000
     41     -12.3774      1.00000
     42     -12.0563      1.00000
     43     -12.0336      1.00000
     44     -11.6582      1.00000
     45     -11.6164      1.00000
     46     -11.1794      1.00000
     47     -11.1558      1.00000
     48     -10.9638      1.00000
     49     -10.9400      1.00000
     50     -10.8725      1.00000
     51     -10.8365      1.00000
     52     -10.6008      1.00000
     53     -10.0923      1.00000
     54     -10.0878      1.00000
     55     -10.0446      1.00000
     56      -9.9698      1.00000
     57      -9.6534      1.00000
     58      -9.6285      1.00000
     59      -9.5916      1.00000
     60      -9.5288      1.00000
     61      -9.5097      1.00000
     62      -9.4787      1.00000
     63      -9.2635      1.00000
     64      -9.2404      1.00000
     65      -9.2202      1.00000
     66      -9.1655      1.00000
     67      -9.0682      1.00000
     68      -9.0463      1.00000
     69      -9.0400      1.00000
     70      -8.8824      1.00000
     71      -8.8053      1.00000
     72      -8.5755      1.00000
     73      -8.5213      1.00000
     74      -8.4575      1.00000
     75      -8.0342      1.00000
     76      -7.8101      1.00000
     77      -7.8063      1.00000
     78      -7.7918      1.00000
     79      -7.6994      1.00000
     80      -7.6900      1.00000
     81      -7.3643      1.00000
     82      -7.2729      1.00000
     83      -7.2634      1.00000
     84      -7.2158      1.00000
     85      -7.1723      1.00000
     86      -7.0086      1.00000
     87      -6.9464      1.00000
     88      -6.7451      1.00000
     89      -6.6718      1.00000
     90      -6.5942      1.00000
     91      -6.5592      1.00000
     92      -6.0492      1.00000
     93      -6.0458      1.00000
     94      -6.0207      1.00000
     95      -5.9583      1.00000
     96      -5.7360      1.00000
     97      -5.1511      1.00000
     98      -4.9873      1.00000
     99      -4.7174      1.00000
    100      -4.6105      1.00000
    101      -4.4384      1.00000
    102      -4.3726      1.00000
    103      -4.1208      1.00000
    104      -3.8672      1.00000
    105      -3.8276      1.00000
    106      -3.7902      1.00000
    107      -1.7848      0.00000
    108      -1.7383      0.00000
    109      -1.3941      0.00000
    110      -1.3458      0.00000
    111      -1.2643      0.00000
    112      -1.2256      0.00000
    113      -0.7453      0.00000
    114      -0.3798      0.00000
    115      -0.2200      0.00000
    116      -0.0196      0.00000
    117       0.5880      0.00000
    118       0.7364      0.00000
    119       0.7648      0.00000
    120       1.0502      0.00000
    121       1.1419      0.00000
    122       1.2499      0.00000
    123       1.2691      0.00000
    124       1.4121      0.00000
    125       1.4774      0.00000
    126       1.5784      0.00000
    127       1.7463      0.00000
    128       1.8355      0.00000
    129       1.8924      0.00000
    130       1.9582      0.00000
    131       2.0966      0.00000
    132       2.2314      0.00000
    133       2.2456      0.00000
    134       2.2907      0.00000
    135       2.4860      0.00000
    136       2.5962      0.00000
    137       2.6227      0.00000
    138       2.7624      0.00000
    139       2.7756      0.00000
    140       2.8351      0.00000
    141       2.8614      0.00000
    142       2.8885      0.00000
    143       2.9447      0.00000
    144       3.0770      0.00000
    145       3.2753      0.00000
    146       3.2862      0.00000
    147       3.3536      0.00000
    148       3.3834      0.00000
    149       3.4579      0.00000
    150       3.5659      0.00000
    151       3.6135      0.00000
    152       3.6625      0.00000
    153       3.6986      0.00000
    154       3.8948      0.00000
    155       3.9246      0.00000
    156       3.9761      0.00000
    157       4.0677      0.00000
    158       4.1866      0.00000
    159       4.2325      0.00000
    160       4.2878      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2137      1.00000
      2     -22.0076      1.00000
      3     -21.6489      1.00000
      4     -21.6120      1.00000
      5     -20.9125      1.00000
      6     -20.8663      1.00000
      7     -20.5452      1.00000
      8     -20.5060      1.00000
      9     -20.4957      1.00000
     10     -19.9632      1.00000
     11     -19.4419      1.00000
     12     -19.4149      1.00000
     13     -19.2412      1.00000
     14     -19.2268      1.00000
     15     -18.3835      1.00000
     16     -18.3395      1.00000
     17     -17.8594      1.00000
     18     -17.8384      1.00000
     19     -17.6973      1.00000
     20     -17.6549      1.00000
     21     -17.3715      1.00000
     22     -17.3555      1.00000
     23     -17.2739      1.00000
     24     -16.4005      1.00000
     25     -16.3858      1.00000
     26     -15.8960      1.00000
     27     -15.3519      1.00000
     28     -15.3366      1.00000
     29     -15.0340      1.00000
     30     -15.0203      1.00000
     31     -14.7989      1.00000
     32     -14.7742      1.00000
     33     -14.2211      1.00000
     34     -14.1893      1.00000
     35     -13.3701      1.00000
     36     -13.3366      1.00000
     37     -13.1190      1.00000
     38     -13.1017      1.00000
     39     -12.9158      1.00000
     40     -12.9024      1.00000
     41     -12.5559      1.00000
     42     -12.5380      1.00000
     43     -12.1324      1.00000
     44     -11.5208      1.00000
     45     -11.4733      1.00000
     46     -11.2527      1.00000
     47     -11.2192      1.00000
     48     -11.0787      1.00000
     49     -10.6568      1.00000
     50     -10.5878      1.00000
     51     -10.5218      1.00000
     52     -10.2571      1.00000
     53     -10.2483      1.00000
     54     -10.1222      1.00000
     55     -10.0482      1.00000
     56     -10.0401      1.00000
     57      -9.7688      1.00000
     58      -9.7044      1.00000
     59      -9.6793      1.00000
     60      -9.6299      1.00000
     61      -9.6259      1.00000
     62      -9.5878      1.00000
     63      -9.2936      1.00000
     64      -9.2845      1.00000
     65      -9.2524      1.00000
     66      -9.0855      1.00000
     67      -8.8963      1.00000
     68      -8.8828      1.00000
     69      -8.7246      1.00000
     70      -8.5877      1.00000
     71      -8.5132      1.00000
     72      -8.3306      1.00000
     73      -8.3021      1.00000
     74      -8.2636      1.00000
     75      -8.2321      1.00000
     76      -8.1944      1.00000
     77      -8.1852      1.00000
     78      -8.1699      1.00000
     79      -8.0994      1.00000
     80      -7.6882      1.00000
     81      -7.3566      1.00000
     82      -7.3093      1.00000
     83      -7.2647      1.00000
     84      -7.1861      1.00000
     85      -7.1248      1.00000
     86      -7.0766      1.00000
     87      -6.9066      1.00000
     88      -6.8824      1.00000
     89      -6.5483      1.00000
     90      -6.4915      1.00000
     91      -6.2086      1.00000
     92      -6.0680      1.00000
     93      -5.9405      1.00000
     94      -5.7129      1.00000
     95      -5.6323      1.00000
     96      -5.4514      1.00000
     97      -5.3038      1.00000
     98      -5.2337      1.00000
     99      -5.1518      1.00000
    100      -5.1512      1.00000
    101      -4.5193      1.00000
    102      -4.4692      1.00000
    103      -4.1396      1.00000
    104      -3.8307      1.00000
    105      -3.7563      1.00000
    106      -3.6801      1.00000
    107      -1.8706      0.00000
    108      -1.8238      0.00000
    109      -1.2767      0.00000
    110      -1.0358      0.00000
    111      -1.0117      0.00000
    112      -0.7123      0.00000
    113      -0.6395      0.00000
    114      -0.5880      0.00000
    115      -0.5456      0.00000
    116      -0.2046      0.00000
    117       0.2527      0.00000
    118       0.2791      0.00000
    119       0.7578      0.00000
    120       0.9427      0.00000
    121       1.1322      0.00000
    122       1.2261      0.00000
    123       1.3191      0.00000
    124       1.4098      0.00000
    125       1.5993      0.00000
    126       1.6340      0.00000
    127       1.6983      0.00000
    128       1.8178      0.00000
    129       1.9132      0.00000
    130       2.0089      0.00000
    131       2.0782      0.00000
    132       2.3040      0.00000
    133       2.3952      0.00000
    134       2.4301      0.00000
    135       2.5326      0.00000
    136       2.6317      0.00000
    137       2.7304      0.00000
    138       2.7935      0.00000
    139       2.8295      0.00000
    140       2.8805      0.00000
    141       3.0331      0.00000
    142       3.0882      0.00000
    143       3.1817      0.00000
    144       3.2288      0.00000
    145       3.3722      0.00000
    146       3.4186      0.00000
    147       3.4753      0.00000
    148       3.5650      0.00000
    149       3.5906      0.00000
    150       3.6248      0.00000
    151       3.6469      0.00000
    152       3.7355      0.00000
    153       3.7542      0.00000
    154       3.7750      0.00000
    155       3.7846      0.00000
    156       3.8823      0.00000
    157       3.9726      0.00000
    158       3.9929      0.00000
    159       4.1687      0.00000
    160       4.2179      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     -21.8230      1.00000
      4     -21.3112      1.00000
      5     -21.2812      1.00000
      6     -20.7699      1.00000
      7     -20.7044      1.00000
      8     -20.5558      1.00000
      9     -20.0083      1.00000
     10     -20.0009      1.00000
     11     -19.6473      1.00000
     12     -19.6232      1.00000
     13     -18.9289      1.00000
     14     -18.9204      1.00000
     15     -18.5699      1.00000
     16     -18.5561      1.00000
     17     -18.3933      1.00000
     18     -17.6140      1.00000
     19     -17.5581      1.00000
     20     -17.5529      1.00000
     21     -17.5116      1.00000
     22     -17.0550      1.00000
     23     -17.0375      1.00000
     24     -16.8905      1.00000
     25     -15.9287      1.00000
     26     -15.8667      1.00000
     27     -15.5157      1.00000
     28     -15.5149      1.00000
     29     -15.2277      1.00000
     30     -14.7936      1.00000
     31     -14.7665      1.00000
     32     -14.5143      1.00000
     33     -14.4704      1.00000
     34     -14.1010      1.00000
     35     -14.0898      1.00000
     36     -13.0752      1.00000
     37     -13.0321      1.00000
     38     -12.9660      1.00000
     39     -12.9540      1.00000
     40     -12.6443      1.00000
     41     -12.6379      1.00000
     42     -12.2732      1.00000
     43     -12.2421      1.00000
     44     -11.5860      1.00000
     45     -11.5596      1.00000
     46     -11.5057      1.00000
     47     -10.9029      1.00000
     48     -10.8501      1.00000
     49     -10.6192      1.00000
     50     -10.5579      1.00000
     51     -10.4835      1.00000
     52     -10.4327      1.00000
     53     -10.4230      1.00000
     54     -10.3699      1.00000
     55     -10.2929      1.00000
     56     -10.0644      1.00000
     57      -9.8333      1.00000
     58      -9.5470      1.00000
     59      -9.4876      1.00000
     60      -9.4686      1.00000
     61      -9.3454      1.00000
     62      -9.3300      1.00000
     63      -9.3096      1.00000
     64      -9.3074      1.00000
     65      -9.2139      1.00000
     66      -9.1107      1.00000
     67      -9.0797      1.00000
     68      -9.0489      1.00000
     69      -8.8465      1.00000
     70      -8.7920      1.00000
     71      -8.7731      1.00000
     72      -8.5270      1.00000
     73      -8.4745      1.00000
     74      -8.2203      1.00000
     75      -8.1094      1.00000
     76      -8.0982      1.00000
     77      -7.8066      1.00000
     78      -7.7823      1.00000
     79      -7.7802      1.00000
     80      -7.6729      1.00000
     81      -7.6305      1.00000
     82      -7.6296      1.00000
     83      -7.4016      1.00000
     84      -7.3243      1.00000
     85      -7.2020      1.00000
     86      -6.8386      1.00000
     87      -6.8278      1.00000
     88      -6.6592      1.00000
     89      -6.5383      1.00000
     90      -6.3432      1.00000
     91      -6.3064      1.00000
     92      -6.1839      1.00000
     93      -6.1462      1.00000
     94      -5.9770      1.00000
     95      -5.5710      1.00000
     96      -5.4255      1.00000
     97      -5.2584      1.00000
     98      -5.2454      1.00000
     99      -5.1485      1.00000
    100      -4.6945      1.00000
    101      -4.6644      1.00000
    102      -4.3490      1.00000
    103      -4.3120      1.00000
    104      -3.9625      1.00000
    105      -3.8233      1.00000
    106      -3.3900      1.00000
    107      -2.2199      0.00000
    108      -1.3763      0.00000
    109      -1.2863      0.00000
    110      -1.1729      0.00000
    111      -1.0774      0.00000
    112      -0.8935      0.00000
    113      -0.7678      0.00000
    114      -0.7570      0.00000
    115      -0.2209      0.00000
    116       0.1132      0.00000
    117       0.2644      0.00000
    118       0.3466      0.00000
    119       0.7320      0.00000
    120       0.9047      0.00000
    121       0.9718      0.00000
    122       1.0929      0.00000
    123       1.2039      0.00000
    124       1.5284      0.00000
    125       1.5615      0.00000
    126       1.7058      0.00000
    127       1.8383      0.00000
    128       1.8622      0.00000
    129       1.9520      0.00000
    130       1.9946      0.00000
    131       2.1452      0.00000
    132       2.2651      0.00000
    133       2.4281      0.00000
    134       2.4545      0.00000
    135       2.4915      0.00000
    136       2.6662      0.00000
    137       2.6847      0.00000
    138       2.7303      0.00000
    139       2.7371      0.00000
    140       2.8838      0.00000
    141       3.0192      0.00000
    142       3.0758      0.00000
    143       3.1809      0.00000
    144       3.2293      0.00000
    145       3.2397      0.00000
    146       3.2535      0.00000
    147       3.3461      0.00000
    148       3.4703      0.00000
    149       3.5265      0.00000
    150       3.6959      0.00000
    151       3.7333      0.00000
    152       3.7708      0.00000
    153       3.8219      0.00000
    154       3.8702      0.00000
    155       3.9386      0.00000
    156       3.9794      0.00000
    157       4.0018      0.00000
    158       4.0286      0.00000
    159       4.0364      0.00000
    160       4.1104      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1413      1.00000
      2     -22.0467      1.00000
      3     -21.8864      1.00000
      4     -21.3343      1.00000
      5     -20.9812      1.00000
      6     -20.9431      1.00000
      7     -20.4327      1.00000
      8     -20.3905      1.00000
      9     -20.2262      1.00000
     10     -20.2049      1.00000
     11     -19.8885      1.00000
     12     -19.8212      1.00000
     13     -18.8142      1.00000
     14     -18.7434      1.00000
     15     -18.2891      1.00000
     16     -18.2361      1.00000
     17     -18.0853      1.00000
     18     -18.0654      1.00000
     19     -17.7609      1.00000
     20     -17.7188      1.00000
     21     -17.1881      1.00000
     22     -17.1693      1.00000
     23     -17.0991      1.00000
     24     -17.0632      1.00000
     25     -16.0375      1.00000
     26     -15.8222      1.00000
     27     -15.7992      1.00000
     28     -15.7640      1.00000
     29     -15.1730      1.00000
     30     -14.4903      1.00000
     31     -14.4579      1.00000
     32     -14.2171      1.00000
     33     -13.8945      1.00000
     34     -13.8894      1.00000
     35     -13.7552      1.00000
     36     -13.7351      1.00000
     37     -13.5508      1.00000
     38     -13.5025      1.00000
     39     -13.2996      1.00000
     40     -12.5638      1.00000
     41     -12.1241      1.00000
     42     -12.0653      1.00000
     43     -12.0093      1.00000
     44     -11.9510      1.00000
     45     -11.6099      1.00000
     46     -11.5874      1.00000
     47     -11.0838      1.00000
     48     -11.0512      1.00000
     49     -10.7513      1.00000
     50     -10.6632      1.00000
     51     -10.5235      1.00000
     52     -10.1479      1.00000
     53     -10.1377      1.00000
     54     -10.0962      1.00000
     55      -9.9523      1.00000
     56      -9.9474      1.00000
     57      -9.9168      1.00000
     58      -9.7367      1.00000
     59      -9.7306      1.00000
     60      -9.6997      1.00000
     61      -9.6897      1.00000
     62      -9.4277      1.00000
     63      -9.3624      1.00000
     64      -9.0844      1.00000
     65      -9.0059      1.00000
     66      -8.9739      1.00000
     67      -8.8872      1.00000
     68      -8.8112      1.00000
     69      -8.6568      1.00000
     70      -8.6342      1.00000
     71      -8.5768      1.00000
     72      -8.4774      1.00000
     73      -8.4667      1.00000
     74      -8.3973      1.00000
     75      -8.3936      1.00000
     76      -8.1836      1.00000
     77      -8.1132      1.00000
     78      -7.9771      1.00000
     79      -7.9143      1.00000
     80      -7.8459      1.00000
     81      -7.6163      1.00000
     82      -7.5303      1.00000
     83      -7.4681      1.00000
     84      -7.2594      1.00000
     85      -6.9331      1.00000
     86      -6.8570      1.00000
     87      -6.8104      1.00000
     88      -6.5718      1.00000
     89      -6.4657      1.00000
     90      -6.4194      1.00000
     91      -6.3565      1.00000
     92      -6.0499      1.00000
     93      -5.8764      1.00000
     94      -5.7524      1.00000
     95      -5.7213      1.00000
     96      -5.4750      1.00000
     97      -5.3447      1.00000
     98      -5.1797      1.00000
     99      -5.1557      1.00000
    100      -5.1543      1.00000
    101      -4.7059      1.00000
    102      -4.4399      1.00000
    103      -4.2528      1.00000
    104      -3.9934      1.00000
    105      -3.8222      1.00000
    106      -3.1563      1.00000
    107      -2.4629      0.00000
    108      -1.3782      0.00000
    109      -1.2408      0.00000
    110      -1.1461      0.00000
    111      -1.1143      0.00000
    112      -0.5641      0.00000
    113      -0.4343      0.00000
    114      -0.4298      0.00000
    115      -0.3099      0.00000
    116      -0.1902      0.00000
    117       0.0623      0.00000
    118       0.1165      0.00000
    119       0.5403      0.00000
    120       0.6842      0.00000
    121       0.8694      0.00000
    122       0.9651      0.00000
    123       1.1081      0.00000
    124       1.4926      0.00000
    125       1.6597      0.00000
    126       1.7985      0.00000
    127       1.8703      0.00000
    128       2.0900      0.00000
    129       2.1052      0.00000
    130       2.1821      0.00000
    131       2.2097      0.00000
    132       2.3396      0.00000
    133       2.3412      0.00000
    134       2.4821      0.00000
    135       2.5682      0.00000
    136       2.6663      0.00000
    137       2.8786      0.00000
    138       2.9377      0.00000
    139       2.9625      0.00000
    140       2.9789      0.00000
    141       3.0316      0.00000
    142       3.1479      0.00000
    143       3.1593      0.00000
    144       3.2329      0.00000
    145       3.2882      0.00000
    146       3.3313      0.00000
    147       3.3489      0.00000
    148       3.3786      0.00000
    149       3.3908      0.00000
    150       3.4927      0.00000
    151       3.5370      0.00000
    152       3.6148      0.00000
    153       3.6701      0.00000
    154       3.7031      0.00000
    155       3.7049      0.00000
    156       3.9161      0.00000
    157       3.9257      0.00000
    158       4.0503      0.00000
    159       4.0845      0.00000
    160       4.1926      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     -21.8214      1.00000
      4     -21.3158      1.00000
      5     -21.2772      1.00000
      6     -20.7710      1.00000
      7     -20.7023      1.00000
      8     -20.5542      1.00000
      9     -20.0222      1.00000
     10     -19.9902      1.00000
     11     -19.6498      1.00000
     12     -19.6189      1.00000
     13     -18.9427      1.00000
     14     -18.9083      1.00000
     15     -18.5835      1.00000
     16     -18.5462      1.00000
     17     -18.3916      1.00000
     18     -17.6011      1.00000
     19     -17.5700      1.00000
     20     -17.5407      1.00000
     21     -17.5079      1.00000
     22     -17.0736      1.00000
     23     -17.0270      1.00000
     24     -16.8995      1.00000
     25     -15.9447      1.00000
     26     -15.8506      1.00000
     27     -15.5325      1.00000
     28     -15.5061      1.00000
     29     -15.2086      1.00000
     30     -14.8130      1.00000
     31     -14.7608      1.00000
     32     -14.5088      1.00000
     33     -14.4671      1.00000
     34     -14.0955      1.00000
     35     -14.0924      1.00000
     36     -13.1036      1.00000
     37     -13.0291      1.00000
     38     -12.9559      1.00000
     39     -12.9488      1.00000
     40     -12.6547      1.00000
     41     -12.6266      1.00000
     42     -12.2735      1.00000
     43     -12.2465      1.00000
     44     -11.5720      1.00000
     45     -11.5526      1.00000
     46     -11.5000      1.00000
     47     -10.8768      1.00000
     48     -10.8677      1.00000
     49     -10.6791      1.00000
     50     -10.5243      1.00000
     51     -10.5189      1.00000
     52     -10.4327      1.00000
     53     -10.4154      1.00000
     54     -10.3693      1.00000
     55     -10.2871      1.00000
     56     -10.0599      1.00000
     57      -9.8320      1.00000
     58      -9.5576      1.00000
     59      -9.4837      1.00000
     60      -9.4431      1.00000
     61      -9.3548      1.00000
     62      -9.3384      1.00000
     63      -9.3069      1.00000
     64      -9.3017      1.00000
     65      -9.2057      1.00000
     66      -9.0985      1.00000
     67      -9.0676      1.00000
     68      -9.0482      1.00000
     69      -8.8493      1.00000
     70      -8.7960      1.00000
     71      -8.7770      1.00000
     72      -8.5266      1.00000
     73      -8.4956      1.00000
     74      -8.2253      1.00000
     75      -8.1283      1.00000
     76      -8.0921      1.00000
     77      -7.8055      1.00000
     78      -7.7664      1.00000
     79      -7.7393      1.00000
     80      -7.7022      1.00000
     81      -7.6346      1.00000
     82      -7.6235      1.00000
     83      -7.3880      1.00000
     84      -7.3440      1.00000
     85      -7.2211      1.00000
     86      -6.8423      1.00000
     87      -6.8198      1.00000
     88      -6.6379      1.00000
     89      -6.5290      1.00000
     90      -6.3404      1.00000
     91      -6.2721      1.00000
     92      -6.1947      1.00000
     93      -6.1310      1.00000
     94      -6.0196      1.00000
     95      -5.6339      1.00000
     96      -5.5075      1.00000
     97      -5.2971      1.00000
     98      -5.1556      1.00000
     99      -5.0386      1.00000
    100      -4.7243      1.00000
    101      -4.6848      1.00000
    102      -4.3675      1.00000
    103      -4.1833      1.00000
    104      -4.0063      1.00000
    105      -3.8217      1.00000
    106      -3.4841      1.00000
    107      -2.1643      0.00000
    108      -1.3828      0.00000
    109      -1.2352      0.00000
    110      -1.1847      0.00000
    111      -1.0139      0.00000
    112      -0.9556      0.00000
    113      -0.7971      0.00000
    114      -0.7518      0.00000
    115      -0.3674      0.00000
    116       0.2457      0.00000
    117       0.2770      0.00000
    118       0.3643      0.00000
    119       0.6978      0.00000
    120       0.8686      0.00000
    121       0.9662      0.00000
    122       1.1239      0.00000
    123       1.2334      0.00000
    124       1.4526      0.00000
    125       1.5530      0.00000
    126       1.7782      0.00000
    127       1.8485      0.00000
    128       1.8750      0.00000
    129       1.9817      0.00000
    130       2.0218      0.00000
    131       2.1818      0.00000
    132       2.2088      0.00000
    133       2.3999      0.00000
    134       2.4191      0.00000
    135       2.5349      0.00000
    136       2.6583      0.00000
    137       2.6847      0.00000
    138       2.7267      0.00000
    139       2.7606      0.00000
    140       2.8470      0.00000
    141       2.9637      0.00000
    142       3.0719      0.00000
    143       3.1709      0.00000
    144       3.2206      0.00000
    145       3.2439      0.00000
    146       3.2771      0.00000
    147       3.3167      0.00000
    148       3.4705      0.00000
    149       3.5061      0.00000
    150       3.6946      0.00000
    151       3.7184      0.00000
    152       3.7696      0.00000
    153       3.8538      0.00000
    154       3.8654      0.00000
    155       3.8913      0.00000
    156       3.9775      0.00000
    157       3.9939      0.00000
    158       4.0277      0.00000
    159       4.0483      0.00000
    160       4.0831      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3194      1.00000
      2     -21.7611      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     -20.0982      1.00000
      9     -20.0595      1.00000
     10     -19.5457      1.00000
     11     -19.5259      1.00000
     12     -19.3444      1.00000
     13     -19.0274      1.00000
     14     -18.9877      1.00000
     15     -18.9773      1.00000
     16     -18.9716      1.00000
     17     -18.2953      1.00000
     18     -18.2822      1.00000
     19     -17.9457      1.00000
     20     -16.9997      1.00000
     21     -16.9589      1.00000
     22     -16.8819      1.00000
     23     -16.8693      1.00000
     24     -16.4154      1.00000
     25     -16.3927      1.00000
     26     -15.5403      1.00000
     27     -15.5370      1.00000
     28     -15.1723      1.00000
     29     -15.1706      1.00000
     30     -15.1302      1.00000
     31     -15.0357      1.00000
     32     -15.0006      1.00000
     33     -14.6329      1.00000
     34     -14.6258      1.00000
     35     -13.6621      1.00000
     36     -13.6522      1.00000
     37     -13.1702      1.00000
     38     -12.5717      1.00000
     39     -12.5126      1.00000
     40     -12.3852      1.00000
     41     -12.3844      1.00000
     42     -12.0346      1.00000
     43     -12.0303      1.00000
     44     -11.6542      1.00000
     45     -11.6142      1.00000
     46     -11.2047      1.00000
     47     -11.1564      1.00000
     48     -10.9541      1.00000
     49     -10.9416      1.00000
     50     -10.8597      1.00000
     51     -10.8276      1.00000
     52     -10.6225      1.00000
     53     -10.1451      1.00000
     54     -10.0836      1.00000
     55     -10.0243      1.00000
     56      -9.9449      1.00000
     57      -9.6307      1.00000
     58      -9.6286      1.00000
     59      -9.6024      1.00000
     60      -9.5398      1.00000
     61      -9.5024      1.00000
     62      -9.4791      1.00000
     63      -9.2715      1.00000
     64      -9.2347      1.00000
     65      -9.2066      1.00000
     66      -9.1788      1.00000
     67      -9.0623      1.00000
     68      -9.0462      1.00000
     69      -9.0426      1.00000
     70      -8.8768      1.00000
     71      -8.8079      1.00000
     72      -8.5335      1.00000
     73      -8.5322      1.00000
     74      -8.4977      1.00000
     75      -8.0300      1.00000
     76      -7.8310      1.00000
     77      -7.7989      1.00000
     78      -7.7737      1.00000
     79      -7.7022      1.00000
     80      -7.6838      1.00000
     81      -7.4147      1.00000
     82      -7.2866      1.00000
     83      -7.2511      1.00000
     84      -7.2022      1.00000
     85      -7.0803      1.00000
     86      -7.0765      1.00000
     87      -6.9374      1.00000
     88      -6.7102      1.00000
     89      -6.6736      1.00000
     90      -6.6290      1.00000
     91      -6.5572      1.00000
     92      -6.0703      1.00000
     93      -6.0306      1.00000
     94      -5.9999      1.00000
     95      -5.9374      1.00000
     96      -5.7985      1.00000
     97      -5.1775      1.00000
     98      -4.8921      1.00000
     99      -4.7922      1.00000
    100      -4.6103      1.00000
    101      -4.5116      1.00000
    102      -4.1384      1.00000
    103      -4.0909      1.00000
    104      -3.9309      1.00000
    105      -3.9150      1.00000
    106      -3.8211      1.00000
    107      -1.7514      0.00000
    108      -1.6959      0.00000
    109      -1.4098      0.00000
    110      -1.3707      0.00000
    111      -1.2642      0.00000
    112      -1.2357      0.00000
    113      -0.6247      0.00000
    114      -0.5982      0.00000
    115      -0.1896      0.00000
    116       0.0413      0.00000
    117       0.5820      0.00000
    118       0.7410      0.00000
    119       0.8499      0.00000
    120       0.9272      0.00000
    121       1.1680      0.00000
    122       1.2103      0.00000
    123       1.2454      0.00000
    124       1.4168      0.00000
    125       1.5955      0.00000
    126       1.6321      0.00000
    127       1.7031      0.00000
    128       1.7901      0.00000
    129       1.9200      0.00000
    130       1.9408      0.00000
    131       2.1370      0.00000
    132       2.1714      0.00000
    133       2.2567      0.00000
    134       2.2952      0.00000
    135       2.5392      0.00000
    136       2.5561      0.00000
    137       2.6091      0.00000
    138       2.7548      0.00000
    139       2.7896      0.00000
    140       2.8210      0.00000
    141       2.8934      0.00000
    142       2.9272      0.00000
    143       3.0088      0.00000
    144       3.0257      0.00000
    145       3.0821      0.00000
    146       3.2902      0.00000
    147       3.3414      0.00000
    148       3.3986      0.00000
    149       3.4675      0.00000
    150       3.5837      0.00000
    151       3.6432      0.00000
    152       3.6494      0.00000
    153       3.6737      0.00000
    154       3.8798      0.00000
    155       3.9603      0.00000
    156       4.0067      0.00000
    157       4.0693      0.00000
    158       4.2221      0.00000
    159       4.2505      0.00000
    160       4.2528      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1403      1.00000
      2     -22.0482      1.00000
      3     -21.8859      1.00000
      4     -21.3352      1.00000
      5     -20.9764      1.00000
      6     -20.9471      1.00000
      7     -20.4276      1.00000
      8     -20.3958      1.00000
      9     -20.2157      1.00000
     10     -20.2139      1.00000
     11     -19.8873      1.00000
     12     -19.8239      1.00000
     13     -18.8171      1.00000
     14     -18.7467      1.00000
     15     -18.2652      1.00000
     16     -18.2514      1.00000
     17     -18.0798      1.00000
     18     -18.0733      1.00000
     19     -17.7453      1.00000
     20     -17.7298      1.00000
     21     -17.1943      1.00000
     22     -17.1711      1.00000
     23     -17.0881      1.00000
     24     -17.0676      1.00000
     25     -16.0535      1.00000
     26     -15.8080      1.00000
     27     -15.7986      1.00000
     28     -15.7772      1.00000
     29     -15.1584      1.00000
     30     -14.4850      1.00000
     31     -14.4638      1.00000
     32     -14.2034      1.00000
     33     -13.9156      1.00000
     34     -13.8860      1.00000
     35     -13.7585      1.00000
     36     -13.7381      1.00000
     37     -13.5355      1.00000
     38     -13.5099      1.00000
     39     -13.3011      1.00000
     40     -12.5762      1.00000
     41     -12.1003      1.00000
     42     -12.0764      1.00000
     43     -11.9979      1.00000
     44     -11.9506      1.00000
     45     -11.6046      1.00000
     46     -11.5972      1.00000
     47     -11.0833      1.00000
     48     -11.0604      1.00000
     49     -10.7309      1.00000
     50     -10.6642      1.00000
     51     -10.5556      1.00000
     52     -10.1391      1.00000
     53     -10.1345      1.00000
     54     -10.1009      1.00000
     55      -9.9656      1.00000
     56      -9.9247      1.00000
     57      -9.9214      1.00000
     58      -9.7496      1.00000
     59      -9.7284      1.00000
     60      -9.6967      1.00000
     61      -9.6940      1.00000
     62      -9.3999      1.00000
     63      -9.3885      1.00000
     64      -9.0677      1.00000
     65      -8.9815      1.00000
     66      -8.9807      1.00000
     67      -8.9046      1.00000
     68      -8.8120      1.00000
     69      -8.6487      1.00000
     70      -8.6330      1.00000
     71      -8.5465      1.00000
     72      -8.5009      1.00000
     73      -8.4819      1.00000
     74      -8.3937      1.00000
     75      -8.3817      1.00000
     76      -8.2090      1.00000
     77      -8.1011      1.00000
     78      -8.0067      1.00000
     79      -7.9010      1.00000
     80      -7.8425      1.00000
     81      -7.6212      1.00000
     82      -7.5333      1.00000
     83      -7.4556      1.00000
     84      -7.2558      1.00000
     85      -6.9418      1.00000
     86      -6.8678      1.00000
     87      -6.8093      1.00000
     88      -6.4774      1.00000
     89      -6.4671      1.00000
     90      -6.4090      1.00000
     91      -6.3596      1.00000
     92      -6.1852      1.00000
     93      -5.8578      1.00000
     94      -5.7372      1.00000
     95      -5.7110      1.00000
     96      -5.5211      1.00000
     97      -5.3283      1.00000
     98      -5.1717      1.00000
     99      -5.1672      1.00000
    100      -5.1337      1.00000
    101      -4.6950      1.00000
    102      -4.3484      1.00000
    103      -4.2773      1.00000
    104      -4.0258      1.00000
    105      -3.8231      1.00000
    106      -3.2330      1.00000
    107      -2.4053      0.00000
    108      -1.3446      0.00000
    109      -1.2435      0.00000
    110      -1.1532      0.00000
    111      -1.1082      0.00000
    112      -0.5832      0.00000
    113      -0.5212      0.00000
    114      -0.4333      0.00000
    115      -0.2744      0.00000
    116      -0.0716      0.00000
    117      -0.0112      0.00000
    118       0.0604      0.00000
    119       0.5841      0.00000
    120       0.7107      0.00000
    121       0.8082      0.00000
    122       0.9401      0.00000
    123       1.1799      0.00000
    124       1.5063      0.00000
    125       1.6176      0.00000
    126       1.8529      0.00000
    127       2.0016      0.00000
    128       2.0477      0.00000
    129       2.1092      0.00000
    130       2.1141      0.00000
    131       2.2413      0.00000
    132       2.2855      0.00000
    133       2.3428      0.00000
    134       2.4468      0.00000
    135       2.6039      0.00000
    136       2.6977      0.00000
    137       2.8175      0.00000
    138       2.9149      0.00000
    139       2.9414      0.00000
    140       2.9982      0.00000
    141       3.0387      0.00000
    142       3.1434      0.00000
    143       3.1556      0.00000
    144       3.2120      0.00000
    145       3.2981      0.00000
    146       3.3073      0.00000
    147       3.3523      0.00000
    148       3.3709      0.00000
    149       3.4138      0.00000
    150       3.4234      0.00000
    151       3.5428      0.00000
    152       3.5989      0.00000
    153       3.6772      0.00000
    154       3.7042      0.00000
    155       3.8443      0.00000
    156       3.8898      0.00000
    157       3.9304      0.00000
    158       3.9527      0.00000
    159       4.1430      0.00000
    160       4.1775      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2132      1.00000
      2     -22.0083      1.00000
      3     -21.6462      1.00000
      4     -21.6150      1.00000
      5     -20.9096      1.00000
      6     -20.8691      1.00000
      7     -20.5390      1.00000
      8     -20.5065      1.00000
      9     -20.4997      1.00000
     10     -19.9622      1.00000
     11     -19.4404      1.00000
     12     -19.4189      1.00000
     13     -19.2398      1.00000
     14     -19.2328      1.00000
     15     -18.3758      1.00000
     16     -18.3408      1.00000
     17     -17.8584      1.00000
     18     -17.8426      1.00000
     19     -17.6909      1.00000
     20     -17.6550      1.00000
     21     -17.3718      1.00000
     22     -17.3578      1.00000
     23     -17.2667      1.00000
     24     -16.4130      1.00000
     25     -16.3895      1.00000
     26     -15.9045      1.00000
     27     -15.3432      1.00000
     28     -15.3383      1.00000
     29     -15.0307      1.00000
     30     -15.0210      1.00000
     31     -14.7759      1.00000
     32     -14.7734      1.00000
     33     -14.2368      1.00000
     34     -14.1866      1.00000
     35     -13.3867      1.00000
     36     -13.3329      1.00000
     37     -13.1106      1.00000
     38     -13.1024      1.00000
     39     -12.9175      1.00000
     40     -12.9120      1.00000
     41     -12.5448      1.00000
     42     -12.5370      1.00000
     43     -12.1328      1.00000
     44     -11.5131      1.00000
     45     -11.4690      1.00000
     46     -11.2442      1.00000
     47     -11.2128      1.00000
     48     -11.0854      1.00000
     49     -10.7026      1.00000
     50     -10.5949      1.00000
     51     -10.5077      1.00000
     52     -10.2510      1.00000
     53     -10.2467      1.00000
     54     -10.1210      1.00000
     55     -10.0535      1.00000
     56     -10.0385      1.00000
     57      -9.7840      1.00000
     58      -9.6863      1.00000
     59      -9.6733      1.00000
     60      -9.6372      1.00000
     61      -9.6273      1.00000
     62      -9.5860      1.00000
     63      -9.2948      1.00000
     64      -9.2829      1.00000
     65      -9.2524      1.00000
     66      -9.0630      1.00000
     67      -8.8941      1.00000
     68      -8.8831      1.00000
     69      -8.7186      1.00000
     70      -8.5798      1.00000
     71      -8.5255      1.00000
     72      -8.3502      1.00000
     73      -8.3043      1.00000
     74      -8.2429      1.00000
     75      -8.2368      1.00000
     76      -8.1939      1.00000
     77      -8.1808      1.00000
     78      -8.1690      1.00000
     79      -8.1062      1.00000
     80      -7.6892      1.00000
     81      -7.4191      1.00000
     82      -7.3423      1.00000
     83      -7.2589      1.00000
     84      -7.1678      1.00000
     85      -7.1099      1.00000
     86      -7.0049      1.00000
     87      -6.9036      1.00000
     88      -6.8482      1.00000
     89      -6.5410      1.00000
     90      -6.4976      1.00000
     91      -6.2079      1.00000
     92      -6.2007      1.00000
     93      -5.8941      1.00000
     94      -5.6721      1.00000
     95      -5.6060      1.00000
     96      -5.5800      1.00000
     97      -5.2529      1.00000
     98      -5.2306      1.00000
     99      -5.1645      1.00000
    100      -5.1343      1.00000
    101      -4.5980      1.00000
    102      -4.2477      1.00000
    103      -4.0423      1.00000
    104      -3.8841      1.00000
    105      -3.8372      1.00000
    106      -3.7993      1.00000
    107      -1.8077      0.00000
    108      -1.7806      0.00000
    109      -1.2247      0.00000
    110      -1.1752      0.00000
    111      -0.9738      0.00000
    112      -0.7341      0.00000
    113      -0.6497      0.00000
    114      -0.5935      0.00000
    115      -0.5493      0.00000
    116      -0.1548      0.00000
    117       0.1768      0.00000
    118       0.2884      0.00000
    119       0.7039      0.00000
    120       0.9461      0.00000
    121       1.1693      0.00000
    122       1.2784      0.00000
    123       1.3419      0.00000
    124       1.5083      0.00000
    125       1.6068      0.00000
    126       1.6267      0.00000
    127       1.6921      0.00000
    128       1.7713      0.00000
    129       1.8539      0.00000
    130       2.0531      0.00000
    131       2.1516      0.00000
    132       2.3016      0.00000
    133       2.3907      0.00000
    134       2.4182      0.00000
    135       2.5505      0.00000
    136       2.6227      0.00000
    137       2.6839      0.00000
    138       2.7194      0.00000
    139       2.7886      0.00000
    140       2.9011      0.00000
    141       3.0413      0.00000
    142       3.0601      0.00000
    143       3.1761      0.00000
    144       3.2722      0.00000
    145       3.3768      0.00000
    146       3.3996      0.00000
    147       3.4531      0.00000
    148       3.5375      0.00000
    149       3.5625      0.00000
    150       3.6280      0.00000
    151       3.6575      0.00000
    152       3.7009      0.00000
    153       3.7647      0.00000
    154       3.7679      0.00000
    155       3.8191      0.00000
    156       3.8881      0.00000
    157       3.8934      0.00000
    158       3.9613      0.00000
    159       4.1840      0.00000
    160       4.2184      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0393   -7.2583    3.9831   -1.1316   -0.1850   17.3732    0.4896   -0.8147    0.7705   -0.4761
x    -3.1262   -0.0252   -0.0207   -0.0263    0.0910   -3.0539    0.0305   -0.0243    0.0084    0.0018
x    -0.0953   -0.0028    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   204.0393    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   -0.0984   -0.0315    0.0618    0.0185
y     0.0232   -3.2429   -0.1786    0.1700   -2.4154   -0.6650
z   204.0393    1.7456    0.2922    0.0881    0.0004    0.0706   -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    0.0987    0.0006   -0.0010   -0.0001   -0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0012   -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  -16.6006
z     0.1456    0.2355   -0.0296    0.0573   -0.0952    0.0006
 total charge-density along one line
x   212.0000  -10.0893    5.9298   -1.9405   -0.4206   19.2923   -0.6601    0.2078    0.0653   -0.1052
x    -2.7066   -0.0089    0.0018   -0.0454    0.0970   -2.3454    0.0479   -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  -10.0893    5.9298   -1.9405   -0.4206   19.2923   -0.6601    0.2078    0.0653   -0.1052
y    -2.7066   -0.0089    0.0018   -0.0454    0.0970   -2.3454    0.0479   -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 -205.3260  188.9161 -170.1852  154.0278 -140.2746  126.3395 -110.8652   94.6115  -78.9625
z    64.6166  -51.7012   40.4700  -31.3989   24.6502  -19.7186   15.7444  -12.1375    8.8628   -6.1879
z     4.2570   -2.9279    1.9398   -1.1416    0.5358   -0.1520   -0.0619    0.2140   -0.3687    0.5023
z    -0.5564    0.5175   -0.4339    0.3662   -0.3344    0.3162   -0.2846    0.2369   -0.1900    0.1568
z    -0.1348    0.1145   -0.0920    0.0714   -0.0576    0.0500   -0.0441    0.0370   -0.0295    0.0239
z    -0.0208    0.0186   -0.0160    0.0129   -0.0103    0.0084   -0.0068    0.0053   -0.0039    0.0028
z    -0.0020    0.0012   -0.0004   -0.0002    0.0004   -0.0004    0.0004   -0.0006    0.0007   -0.0006
z     0.0004   -0.0002    0.0001    0.0000    0.0000    0.0001   -0.0002    0.0003   -0.0003    0.0003
z    -0.0002    0.0002   -0.0002    0.0002   -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0000   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.938   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 -11.149   0.000   0.000   0.012   0.000
  0.002   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   0.041   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 -11.149   0.000   0.000   0.012   0.000
  0.002   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   1.586   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   1.789   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   0.261   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   0.004   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   0.194  -0.053   0.000   0.115   0.000   0.000
  0.000   0.595   0.000   0.261   0.000   0.000   0.329   0.000   0.108   0.000   0.000   0.000   0.058   0.000   0.066  -0.011
  0.058   0.000   0.353   0.000  -0.035   0.101   0.000   0.558   0.000  -0.058   0.698  -0.290   0.000   0.088   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  -0.006
 -0.014   0.000  -0.027   0.000   0.004  -0.024   0.000  -0.058   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  -0.035   0.000   0.000
  0.000   0.161   0.000   0.108   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   0.115   0.000   0.088   0.000  -0.068   0.267  -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   2.647
  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   1.772   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   1.783   0.000   2.646
 53        0.864   1.783   0.000   2.646
------------------------------------------------
tot       44.833  89.435   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  113.36: CPU time   57.35
    FORLOC:  VPU time    1.25: CPU time    1.25
    FORNL :  VPU time  441.16: CPU time  221.26
    STRESS:  VPU time 1355.10: CPU time  681.68
    FORCOR:  VPU time    8.65: CPU time    8.64
    FORHAR:  VPU time    2.29: CPU time    2.29
    MIXING:  VPU time    0.16: CPU time    0.16
 d Force = 0.1375781E-04[ 0.999E-05, 0.175E-04]  d Energy = 0.3352821E-04-0.198E-04
 d Force = 0.7035606E+00[ 0.704E+00, 0.704E+00]  d Ewald  = 0.5049984E+01-0.435E+01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.645176 eV

  energy  without entropy=     -471.645176  energy(sigma->0) =     -471.645176
 

  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    40726.43  40742.56 -47426.54     13.96      0.00      0.00
  Hartree  40192.01  40195.22 -39444.97      2.78      0.00      0.00
  E(xc)     -779.75   -779.56   -807.28      0.17      0.00      0.00
  Local   -83211.59 -83224.75  84188.80    -11.40      0.00      0.00
  n-local   -215.83   -215.73   -203.90     -0.17      0.00      0.00
  augment     22.10     20.52     17.37     -1.36      0.00      0.00
  Kinetic   3168.80   3171.45   3582.12     -6.17      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.12     -0.13     -0.47     -0.01      0.00      0.00
  in kB       -0.07     -0.08     -0.29     -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
    12.347099717  0.001661299  0.000000000     0.080984391  0.046741901  0.000000000
    -6.172117774 10.693728491  0.000000000    -0.000012581  0.093505492  0.000000000
     0.000000000  0.000000000 19.978235729     0.000000000  0.000000000  0.050054470

  length of vectors
    12.347099829 12.347099532 19.978235729     0.093505491  0.093505493  0.050054470


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.394E-05 -.458E-04 -.960E+03   0.429E-05 -.273E-04 0.968E+03   0.144E-23 -.169E-20 -.791E+01   -.540E-07 0.287E-07 0.223E-02
   -.176E+02 -.304E+02 -.136E+03   0.184E+02 0.319E+02 0.138E+03   -.830E+00 -.144E+01 -.258E+01   0.384E-04 0.655E-04 -.137E-02
   0.176E+02 0.304E+02 -.136E+03   -.184E+02 -.319E+02 0.138E+03   0.830E+00 0.144E+01 -.258E+01   -.385E-04 -.655E-04 -.137E-02
   -.195E+01 0.113E+01 0.180E+02   0.196E+01 -.113E+01 -.180E+02   -.902E-02 0.521E-02 -.389E-02   0.503E-03 -.293E-03 0.173E-02
   0.577E+01 0.687E+01 0.206E+02   -.577E+01 -.690E+01 -.206E+02   0.617E-02 0.324E-01 -.153E-01   -.481E-03 -.153E-03 0.133E-02
   0.112E+02 0.502E+01 0.186E+02   -.112E+02 -.502E+01 -.185E+02   0.247E-01 0.943E-02 -.535E-01   -.699E-04 -.897E-03 -.133E-03
   0.453E+01 -.101E+01 0.163E+02   -.455E+01 0.103E+01 -.163E+02   0.199E-01 -.170E-01 -.259E-02   -.203E-03 -.337E-03 0.308E-03
   -.291E+01 -.240E+01 0.153E+02   0.292E+01 0.241E+01 -.153E+02   -.141E-01 -.141E-01 0.157E-02   0.288E-03 0.534E-03 -.126E-05
   0.621E+00 0.372E+01 0.153E+02   -.626E+00 -.374E+01 -.153E+02   0.518E-02 0.193E-01 0.157E-02   -.324E-03 -.523E-03 -.503E-05
   0.274E+01 0.181E+02 0.248E+02   -.275E+01 -.182E+02 -.248E+02   0.861E-02 0.112E+00 -.736E-02   0.247E-03 -.143E-02 0.145E-03
   0.214E+02 0.226E+02 0.393E+02   -.215E+02 -.228E+02 -.392E+02   0.116E+00 0.228E+00 -.205E-01   -.926E-03 -.566E-03 -.584E-04
   0.264E+02 -.447E+01 0.264E+02   -.267E+02 0.458E+01 -.264E+02   0.236E+00 -.119E+00 -.586E-01   -.670E-03 0.229E-05 0.397E-05
   0.913E+01 -.527E+01 0.155E+02   -.915E+01 0.528E+01 -.155E+02   0.185E-01 -.107E-01 0.498E-02   -.112E-02 0.643E-03 0.142E-03
   0.314E+01 -.342E+01 0.163E+02   -.316E+01 0.343E+01 -.163E+02   0.247E-01 -.874E-02 -.259E-02   0.188E-03 0.340E-03 0.300E-03
   -.602E+01 0.131E+02 0.199E+02   0.602E+01 -.132E+02 -.199E+02   -.710E-02 0.743E-01 -.991E-02   0.694E-03 -.669E-03 -.768E-04
   -.122E+02 0.334E+02 0.453E+02   0.123E+02 -.341E+02 -.456E+02   -.916E-01 0.678E+00 0.345E+00   0.793E-03 -.235E-02 -.783E-03
   0.263E+02 -.152E+02 0.688E+02   -.273E+02 0.157E+02 -.708E+02   0.964E+00 -.557E+00 0.209E+01   -.228E-02 0.131E-02 -.449E-02
   0.171E+02 -.207E+02 0.264E+02   -.173E+02 0.208E+02 -.264E+02   0.221E+00 -.145E+00 -.586E-01   -.339E-03 0.571E-03 -.949E-06
   0.126E+01 -.122E+02 0.186E+02   -.127E+01 0.123E+02 -.185E+02   0.417E-02 -.261E-01 -.535E-01   0.745E-03 0.508E-03 -.139E-03
   -.386E+01 0.156E+01 0.145E+02   0.387E+01 -.156E+01 -.145E+02   -.655E-02 0.194E-02 -.403E-01   0.639E-03 0.622E-03 -.375E-04
   -.182E+02 0.105E+02 0.205E+02   0.182E+02 -.105E+02 -.204E+02   -.630E-01 0.364E-01 -.129E+00   0.720E-03 -.412E-03 0.235E-03
   -.350E+02 -.611E+01 0.453E+02   0.357E+02 0.637E+01 -.456E+02   -.633E+00 -.260E+00 0.345E+00   0.243E-02 0.487E-03 -.780E-03
   -.883E+01 -.298E+02 0.393E+02   0.897E+01 0.300E+02 -.392E+02   -.139E+00 -.215E+00 -.205E-01   0.304E-04 0.108E-02 -.603E-04
   -.306E+01 -.843E+01 0.206E+02   0.309E+01 0.845E+01 -.206E+02   -.250E-01 -.216E-01 -.153E-01   -.106E-03 0.491E-03 0.133E-02
   0.126E+01 -.729E+00 0.152E+02   -.126E+01 0.728E+00 -.152E+02   -.115E-02 0.665E-03 -.343E-01   0.367E-04 -.191E-04 0.604E-03
   -.328E+01 0.257E+01 0.145E+02   0.329E+01 -.257E+01 -.145E+02   -.495E-02 0.470E-02 -.403E-01   -.217E-03 -.860E-03 -.326E-04
   -.144E+02 -.136E+01 0.199E+02   0.145E+02 0.139E+01 -.199E+02   -.679E-01 -.310E-01 -.991E-02   0.928E-03 -.269E-03 -.689E-04
   -.143E+02 -.114E+02 0.248E+02   0.144E+02 0.115E+02 -.248E+02   -.927E-01 -.635E-01 -.736E-02   0.136E-02 0.496E-03 0.148E-03
   0.306E+01 0.843E+01 0.206E+02   -.309E+01 -.845E+01 -.206E+02   0.250E-01 0.216E-01 -.153E-01   0.106E-03 -.491E-03 0.133E-02
   0.143E+02 0.114E+02 0.248E+02   -.144E+02 -.115E+02 -.248E+02   0.927E-01 0.635E-01 -.736E-02   -.136E-02 -.496E-03 0.148E-03
   0.144E+02 0.136E+01 0.199E+02   -.145E+02 -.139E+01 -.199E+02   0.679E-01 0.310E-01 -.991E-02   -.928E-03 0.269E-03 -.689E-04
   0.328E+01 -.257E+01 0.145E+02   -.329E+01 0.257E+01 -.145E+02   0.495E-02 -.470E-02 -.403E-01   0.217E-03 0.860E-03 -.326E-04
   -.126E+01 0.729E+00 0.152E+02   0.126E+01 -.728E+00 -.152E+02   0.115E-02 -.665E-03 -.343E-01   -.367E-04 0.191E-04 0.604E-03
   -.126E+01 0.122E+02 0.186E+02   0.127E+01 -.123E+02 -.185E+02   -.417E-02 0.261E-01 -.535E-01   -.745E-03 -.508E-03 -.139E-03
   0.883E+01 0.298E+02 0.393E+02   -.897E+01 -.300E+02 -.392E+02   0.139E+00 0.215E+00 -.205E-01   -.304E-04 -.108E-02 -.603E-04
   0.350E+02 0.611E+01 0.453E+02   -.357E+02 -.637E+01 -.456E+02   0.633E+00 0.260E+00 0.345E+00   -.243E-02 -.487E-03 -.780E-03
   0.182E+02 -.105E+02 0.205E+02   -.182E+02 0.105E+02 -.204E+02   0.630E-01 -.364E-01 -.129E+00   -.720E-03 0.412E-03 0.235E-03
   0.386E+01 -.156E+01 0.145E+02   -.387E+01 0.156E+01 -.145E+02   0.655E-02 -.194E-02 -.403E-01   -.639E-03 -.622E-03 -.375E-04
   -.314E+01 0.342E+01 0.163E+02   0.316E+01 -.343E+01 -.163E+02   -.247E-01 0.874E-02 -.259E-02   -.188E-03 -.340E-03 0.300E-03
   -.171E+02 0.207E+02 0.264E+02   0.173E+02 -.208E+02 -.264E+02   -.221E+00 0.145E+00 -.586E-01   0.339E-03 -.571E-03 -.961E-06
   -.263E+02 0.152E+02 0.688E+02   0.273E+02 -.157E+02 -.708E+02   -.964E+00 0.557E+00 0.209E+01   0.228E-02 -.131E-02 -.449E-02
   0.122E+02 -.334E+02 0.453E+02   -.123E+02 0.341E+02 -.456E+02   0.916E-01 -.678E+00 0.345E+00   -.793E-03 0.235E-02 -.783E-03
   0.602E+01 -.131E+02 0.199E+02   -.602E+01 0.132E+02 -.199E+02   0.710E-02 -.743E-01 -.991E-02   -.694E-03 0.669E-03 -.768E-04
   -.621E+00 -.372E+01 0.153E+02   0.626E+00 0.374E+01 -.153E+02   -.518E-02 -.193E-01 0.157E-02   0.324E-03 0.523E-03 -.502E-05
   -.913E+01 0.527E+01 0.155E+02   0.915E+01 -.528E+01 -.155E+02   -.185E-01 0.107E-01 0.498E-02   0.112E-02 -.643E-03 0.142E-03
   -.264E+02 0.447E+01 0.264E+02   0.267E+02 -.458E+01 -.264E+02   -.236E+00 0.119E+00 -.586E-01   0.670E-03 -.229E-05 0.396E-05
   -.214E+02 -.226E+02 0.393E+02   0.215E+02 0.228E+02 -.392E+02   -.116E+00 -.228E+00 -.205E-01   0.926E-03 0.566E-03 -.584E-04
   -.274E+01 -.181E+02 0.248E+02   0.275E+01 0.182E+02 -.248E+02   -.861E-02 -.112E+00 -.736E-02   -.247E-03 0.143E-02 0.145E-03
   0.195E+01 -.113E+01 0.180E+02   -.196E+01 0.113E+01 -.180E+02   0.902E-02 -.521E-02 -.389E-02   -.503E-03 0.293E-03 0.173E-02
   0.291E+01 0.240E+01 0.153E+02   -.292E+01 -.241E+01 -.153E+02   0.141E-01 0.141E-01 0.157E-02   -.288E-03 -.534E-03 -.126E-05
   -.453E+01 0.101E+01 0.163E+02   0.455E+01 -.103E+01 -.163E+02   -.199E-01 0.170E-01 -.259E-02   0.203E-03 0.337E-03 0.308E-03
   -.112E+02 -.502E+01 0.186E+02   0.112E+02 0.502E+01 -.185E+02   -.247E-01 -.943E-02 -.535E-01   0.699E-04 0.897E-03 -.133E-03
   -.577E+01 -.687E+01 0.206E+02   0.577E+01 0.690E+01 -.206E+02   -.617E-02 -.324E-01 -.153E-01   0.481E-03 0.153E-03 0.133E-02
 -----------------------------------------------------------------------------------------------
   -.183E-02 0.313E-03 0.868E+01   -.355E-13 0.144E-12 0.568E-13   0.815E-16 -.312E-15 -.867E+01   -.768E-07 0.413E-07 -.130E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85288      6.06050     12.32550         0.000000      0.000000     -0.001359
      2.26124      6.76780     13.64334         0.003839      0.006650      0.004652
      1.44452      5.35320     13.64334        -0.003839     -0.006650      0.004652
      0.00056     -0.00032      9.93643        -0.000007      0.000004     -0.002591
     11.11189      2.13929      9.93868         0.000219     -0.001371      0.000534
      9.87643      4.27872      9.95352        -0.000827      0.002520      0.000230
      8.64313      6.41794      9.95362         0.000073      0.000491     -0.000532
     -4.93609      8.55503      9.94737         0.000794      0.001020     -0.000905
      2.47018     -0.00108      9.94737        -0.000487     -0.001197     -0.000905
      1.23474      2.13598      9.95298        -0.001492      0.003916     -0.000120
     -0.00392      4.27470      9.98445        -0.002229     -0.000118     -0.003114
     -1.23834      6.41571      9.99091         0.000575     -0.000499     -0.001209
     -2.46706      8.55462      9.96183         0.002585     -0.001492     -0.000256
      4.93845      0.00125      9.95362        -0.000389     -0.000309     -0.000532
      3.70482      2.13648      9.96211        -0.002591     -0.000981      0.000443
      2.47064      4.26298     10.02915        -0.000614      0.001261      0.000334
      1.22847      6.42100     10.10095        -0.001505      0.000869      0.011577
     -0.00036      8.55996      9.99091         0.000720     -0.000248     -0.001209
      7.40773      0.00280      9.95352        -0.002596     -0.000544      0.000230
      6.17325      2.13999      9.95400        -0.000042     -0.001476      0.000727
      4.94018      4.27804      9.98486         0.002571     -0.001484     -0.002073
      3.71846      6.42427     10.02915        -0.001399     -0.000099      0.000334
      2.47103      8.56143      9.98445        -0.001012      0.001989     -0.003114
      9.87825      0.00257      9.93868         0.001297      0.000495      0.000534
      8.64243      2.14055      9.94276         0.000627     -0.000362     -0.003406
      7.40832      4.27920      9.95400         0.001257      0.000774      0.000727
      6.17715      6.41868      9.96211        -0.000446      0.002734      0.000443
      4.94254      8.55808      9.95298        -0.004137     -0.000666     -0.000120
     -0.00038      1.42470      9.93868        -0.001297     -0.000495      0.000534
     -1.23679      3.56292      9.95298         0.004137      0.000666     -0.000120
     -2.47139      5.70232      9.96211         0.000446     -0.002734      0.000443
     -3.70257      7.84179      9.95400        -0.001257     -0.000774      0.000727
     -4.93667      9.98044      9.94276        -0.000627      0.000362     -0.003406
      2.47014      1.42448      9.95352         0.002596      0.000544      0.000230
      1.23472      3.55957      9.98445         0.001012     -0.001989     -0.003114
     -0.01270      5.69673     10.02915         0.001399      0.000099      0.000334
     -1.23443      7.84296      9.98486        -0.002571      0.001484     -0.002073
     -2.46749      9.98100      9.95400         0.000042      0.001476      0.000727
      4.93942      1.42602      9.95362         0.000389      0.000309     -0.000532
      3.70611      3.56104      9.99091        -0.000720      0.000248     -0.001209
      2.47729      5.70000     10.10095         0.001505     -0.000869      0.011577
      1.23512      7.85802     10.02915         0.000614     -0.001261      0.000334
      0.00094      9.98452      9.96211         0.002591      0.000981      0.000443
      7.40769      1.42835      9.94737         0.000487      0.001197     -0.000905
      6.17282      3.56638      9.96183        -0.002585      0.001492     -0.000256
      4.94409      5.70529      9.99091        -0.000575      0.000499     -0.001209
      3.70967      7.84630      9.98445         0.002229      0.000118     -0.003114
      2.47101      9.98502      9.95298         0.001492     -0.003916     -0.000120
      9.87731      1.42759      9.93643         0.000007     -0.000004     -0.002591
      8.64184      3.56597      9.94737        -0.000794     -0.001020     -0.000905
      7.40973      5.70472      9.95362        -0.000073     -0.000491     -0.000532
      6.17642      7.84394      9.95352         0.000827     -0.002520      0.000230
      4.94097      9.98337      9.93868        -0.000219      0.001371      0.000534
 -----------------------------------------------------------------------------------
    total drift:                               -0.001831      0.000313      0.009532


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


 Conjugate gradient step on ions:
 trial-energy change:   -0.000034  1 .order   -0.000030   -0.000032   -0.000027
  (g-gl).g = 0.910E-04      g.g   = 0.116E-03  gl.gl    = 0.176E-03
 g(Force)  = 0.650E-04   g(Stress)= 0.509E-04 ortho     = 0.949E-05
 gamma     =   0.51725
 trial     =   0.26424
 opt step  =   1.05697  (harmonic =   1.83121) maximal distance =0.00263633
 next E    =  -471.645253   (d E  =  -0.00011)


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


    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  183.63: CPU time   91.99
     LOOP+:  VPU time 5415.27: CPU time 2786.68


----------------------------------------- Iteration   21(   1)  ---------------------------------------


    POTLOK:  VPU time    9.15: CPU time    9.12
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1837.18: CPU time  950.76
 BZINTS: Fermi energy: -3.082054;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  113.10: CPU time   57.24
    MIXING:  VPU time    0.14: CPU time    0.14
    ------------------------------------------
      LOOP:  VPU time 1959.97: CPU time 1017.63

 eigenvalue-minimisations  :  6128
 total energy-change (2. order) :-0.4716452E+03  (-0.2753385E-02)
 number of electron  212.0000065 magnetization    0.0000000
 augmentation part     7.9591497 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.40950E-02    rms(broyden)= 0.40942E-02
  rms(prec ) = 0.45756E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34027.32037707
  -1/2 Hartree   DENC   =    -40928.72162673
  -V(xc)+E(xc)   XCENC  =       726.60949821
  PAW double counting   =      4092.90432478    -4131.27713722
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2463.92049914
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64520943 eV

  energy without entropy =     -471.64520943  energy(sigma->0) =     -471.64520943


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




----------------------------------------- Iteration   21(   2)  ---------------------------------------


    POTLOK:  VPU time    9.05: CPU time    9.05
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1666.17: CPU time  861.89
 BZINTS: Fermi energy: -3.154595;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1675.62: CPU time  871.31

 eigenvalue-minimisations  :  5312
 total energy-change (2. order) : 0.2754233E-04  (-0.4647278E-04)
 number of electron  212.0000065 magnetization    0.0000000
 augmentation part     7.9591497 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34027.32037707
  -1/2 Hartree   DENC   =    -40928.26865498
  -V(xc)+E(xc)   XCENC  =       726.59665601
  PAW double counting   =      4092.52941182    -4130.90064599
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2464.36217942
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64518189 eV

  energy without entropy =     -471.64518189  energy(sigma->0) =     -471.64518189


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




 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 -39.9824       3 -39.9824       4 -58.2409       5 -58.2455
       6 -58.2526       7 -58.2428       8 -58.2415       9 -58.2415      10 -58.2575
      11 -58.3126      12 -58.2888      13 -58.2457      14 -58.2428      15 -58.2543
      16 -58.4336      17 -58.7268      18 -58.2888      19 -58.2526      20 -58.2465
      21 -58.2740      22 -58.4336      23 -58.3126      24 -58.2455      25 -58.2403
      26 -58.2465      27 -58.2543      28 -58.2575      29 -58.2454      30 -58.2574
      31 -58.2542      32 -58.2464      33 -58.2402      34 -58.2525      35 -58.3125
      36 -58.4336      37 -58.2739      38 -58.2464      39 -58.2427      40 -58.2887
      41 -58.7267      42 -58.4336      43 -58.2542      44 -58.2414      45 -58.2456
      46 -58.2887      47 -58.3125      48 -58.2574      49 -58.2408      50 -58.2414
      51 -58.2427      52 -58.2525      53 -58.2454
 
 
 
 E-fermi :  -3.1546     XC(G=0):  -2.3543     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     -22.3515      1.00000
      2     -21.5310      1.00000
      3     -21.4024      1.00000
      4     -21.4016      1.00000
      5     -21.3703      1.00000
      6     -21.3613      1.00000
      7     -21.3537      1.00000
      8     -19.6410      1.00000
      9     -19.5670      1.00000
     10     -19.5605      1.00000
     11     -19.5538      1.00000
     12     -19.5363      1.00000
     13     -19.5333      1.00000
     14     -18.7229      1.00000
     15     -18.6753      1.00000
     16     -18.6675      1.00000
     17     -18.6543      1.00000
     18     -18.6390      1.00000
     19     -18.6370      1.00000
     20     -16.5808      1.00000
     21     -16.5224      1.00000
     22     -16.5200      1.00000
     23     -16.5070      1.00000
     24     -16.4828      1.00000
     25     -16.4809      1.00000
     26     -15.5538      1.00000
     27     -15.5218      1.00000
     28     -15.5211      1.00000
     29     -15.4951      1.00000
     30     -15.4899      1.00000
     31     -15.4844      1.00000
     32     -14.2016      1.00000
     33     -14.1755      1.00000
     34     -14.1635      1.00000
     35     -14.1601      1.00000
     36     -14.1555      1.00000
     37     -14.1446      1.00000
     38     -11.8787      1.00000
     39     -11.8041      1.00000
     40     -11.7878      1.00000
     41     -11.7876      1.00000
     42     -11.7842      1.00000
     43     -11.7787      1.00000
     44     -11.7000      1.00000
     45     -11.6935      1.00000
     46     -11.6685      1.00000
     47     -11.6533      1.00000
     48     -11.6529      1.00000
     49     -11.6463      1.00000
     50     -10.6671      1.00000
     51     -10.3245      1.00000
     52     -10.3161      1.00000
     53     -10.3013      1.00000
     54     -10.2995      1.00000
     55     -10.2869      1.00000
     56     -10.2735      1.00000
     57      -9.9207      1.00000
     58      -9.3690      1.00000
     59      -9.3560      1.00000
     60      -9.2970      1.00000
     61      -9.2888      1.00000
     62      -9.2819      1.00000
     63      -9.0877      1.00000
     64      -9.0500      1.00000
     65      -9.0449      1.00000
     66      -9.0221      1.00000
     67      -9.0024      1.00000
     68      -8.9973      1.00000
     69      -8.9968      1.00000
     70      -8.9903      1.00000
     71      -8.9879      1.00000
     72      -8.9684      1.00000
     73      -8.9600      1.00000
     74      -8.9509      1.00000
     75      -8.4901      1.00000
     76      -7.5153      1.00000
     77      -7.4064      1.00000
     78      -7.4061      1.00000
     79      -7.3938      1.00000
     80      -7.3794      1.00000
     81      -7.3606      1.00000
     82      -7.3366      1.00000
     83      -7.3083      1.00000
     84      -7.2646      1.00000
     85      -7.2029      1.00000
     86      -7.1773      1.00000
     87      -7.1771      1.00000
     88      -7.0790      1.00000
     89      -6.5037      1.00000
     90      -6.4573      1.00000
     91      -6.3513      1.00000
     92      -6.2914      1.00000
     93      -6.2848      1.00000
     94      -6.2838      1.00000
     95      -5.8933      1.00000
     96      -5.8808      1.00000
     97      -5.0385      1.00000
     98      -4.9330      1.00000
     99      -4.5337      1.00000
    100      -4.3381      1.00000
    101      -4.3155      1.00000
    102      -4.3144      1.00000
    103      -4.1153      1.00000
    104      -3.9106      1.00000
    105      -3.9003      1.00000
    106      -3.8246      1.00000
    107      -1.6792      0.00000
    108      -1.6659      0.00000
    109      -1.5346      0.00000
    110      -1.5326      0.00000
    111      -1.5220      0.00000
    112      -1.5068      0.00000
    113      -0.5864      0.00000
    114       0.1352      0.00000
    115       0.2086      0.00000
    116       0.3264      0.00000
    117       0.3289      0.00000
    118       0.3358      0.00000
    119       0.4954      0.00000
    120       0.6032      0.00000
    121       1.2603      0.00000
    122       1.2766      0.00000
    123       1.5317      0.00000
    124       1.7525      0.00000
    125       1.8105      0.00000
    126       1.8143      0.00000
    127       1.8188      0.00000
    128       1.9480      0.00000
    129       1.9879      0.00000
    130       2.0336      0.00000
    131       2.0475      0.00000
    132       2.0528      0.00000
    133       2.0580      0.00000
    134       2.0636      0.00000
    135       2.3146      0.00000
    136       2.3188      0.00000
    137       2.6277      0.00000
    138       2.6369      0.00000
    139       2.6641      0.00000
    140       2.7129      0.00000
    141       2.8709      0.00000
    142       2.9910      0.00000
    143       3.0124      0.00000
    144       3.0310      0.00000
    145       3.0315      0.00000
    146       3.0351      0.00000
    147       3.0771      0.00000
    148       3.2359      0.00000
    149       3.4198      0.00000
    150       3.5437      0.00000
    151       3.7727      0.00000
    152       3.9304      0.00000
    153       3.9316      0.00000
    154       3.9374      0.00000
    155       3.9466      0.00000
    156       4.0031      0.00000
    157       4.1759      0.00000
    158       4.2598      0.00000
    159       4.2886      0.00000
    160       4.2899      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3149      1.00000
      2     -21.7563      1.00000
      3     -21.5657      1.00000
      4     -21.5333      1.00000
      5     -21.2029      1.00000
      6     -21.1583      1.00000
      7     -20.9825      1.00000
      8     -20.0968      1.00000
      9     -20.0531      1.00000
     10     -19.5416      1.00000
     11     -19.5170      1.00000
     12     -19.3445      1.00000
     13     -19.0200      1.00000
     14     -18.9849      1.00000
     15     -18.9767      1.00000
     16     -18.9648      1.00000
     17     -18.2928      1.00000
     18     -18.2736      1.00000
     19     -17.9475      1.00000
     20     -17.0048      1.00000
     21     -16.9554      1.00000
     22     -16.8742      1.00000
     23     -16.8646      1.00000
     24     -16.4005      1.00000
     25     -16.3859      1.00000
     26     -15.5471      1.00000
     27     -15.5313      1.00000
     28     -15.1930      1.00000
     29     -15.1647      1.00000
     30     -15.1101      1.00000
     31     -15.0232      1.00000
     32     -14.9984      1.00000
     33     -14.6317      1.00000
     34     -14.6200      1.00000
     35     -13.6629      1.00000
     36     -13.6476      1.00000
     37     -13.1652      1.00000
     38     -12.5466      1.00000
     39     -12.5135      1.00000
     40     -12.3863      1.00000
     41     -12.3733      1.00000
     42     -12.0528      1.00000
     43     -12.0301      1.00000
     44     -11.6543      1.00000
     45     -11.6127      1.00000
     46     -11.1761      1.00000
     47     -11.1527      1.00000
     48     -10.9600      1.00000
     49     -10.9361      1.00000
     50     -10.8685      1.00000
     51     -10.8328      1.00000
     52     -10.5970      1.00000
     53     -10.0886      1.00000
     54     -10.0839      1.00000
     55     -10.0412      1.00000
     56      -9.9663      1.00000
     57      -9.6498      1.00000
     58      -9.6248      1.00000
     59      -9.5881      1.00000
     60      -9.5256      1.00000
     61      -9.5066      1.00000
     62      -9.4755      1.00000
     63      -9.2601      1.00000
     64      -9.2367      1.00000
     65      -9.2166      1.00000
     66      -9.1621      1.00000
     67      -9.0649      1.00000
     68      -9.0424      1.00000
     69      -9.0366      1.00000
     70      -8.8791      1.00000
     71      -8.8020      1.00000
     72      -8.5719      1.00000
     73      -8.5183      1.00000
     74      -8.4542      1.00000
     75      -8.0310      1.00000
     76      -7.8074      1.00000
     77      -7.8034      1.00000
     78      -7.7885      1.00000
     79      -7.6962      1.00000
     80      -7.6866      1.00000
     81      -7.3671      1.00000
     82      -7.2695      1.00000
     83      -7.2606      1.00000
     84      -7.2147      1.00000
     85      -7.1702      1.00000
     86      -7.0066      1.00000
     87      -6.9433      1.00000
     88      -6.7423      1.00000
     89      -6.6691      1.00000
     90      -6.5917      1.00000
     91      -6.5565      1.00000
     92      -6.0462      1.00000
     93      -6.0430      1.00000
     94      -6.0181      1.00000
     95      -5.9554      1.00000
     96      -5.7333      1.00000
     97      -5.1485      1.00000
     98      -4.9853      1.00000
     99      -4.7149      1.00000
    100      -4.6083      1.00000
    101      -4.4368      1.00000
    102      -4.3715      1.00000
    103      -4.1196      1.00000
    104      -3.8664      1.00000
    105      -3.8255      1.00000
    106      -3.7889      1.00000
    107      -1.7831      0.00000
    108      -1.7365      0.00000
    109      -1.3924      0.00000
    110      -1.3439      0.00000
    111      -1.2632      0.00000
    112      -1.2237      0.00000
    113      -0.7440      0.00000
    114      -0.3784      0.00000
    115      -0.2185      0.00000
    116      -0.0187      0.00000
    117       0.5944      0.00000
    118       0.7402      0.00000
    119       0.7668      0.00000
    120       1.0516      0.00000
    121       1.1434      0.00000
    122       1.2519      0.00000
    123       1.2751      0.00000
    124       1.4182      0.00000
    125       1.4858      0.00000
    126       1.5918      0.00000
    127       1.7392      0.00000
    128       1.8375      0.00000
    129       1.8933      0.00000
    130       1.9618      0.00000
    131       2.0966      0.00000
    132       2.2467      0.00000
    133       2.2535      0.00000
    134       2.3053      0.00000
    135       2.4939      0.00000
    136       2.5801      0.00000
    137       2.6352      0.00000
    138       2.7653      0.00000
    139       2.7809      0.00000
    140       2.8108      0.00000
    141       2.8654      0.00000
    142       2.8863      0.00000
    143       2.9377      0.00000
    144       3.0965      0.00000
    145       3.2796      0.00000
    146       3.2889      0.00000
    147       3.3373      0.00000
    148       3.3652      0.00000
    149       3.4645      0.00000
    150       3.5588      0.00000
    151       3.6074      0.00000
    152       3.6660      0.00000
    153       3.7015      0.00000
    154       3.9039      0.00000
    155       3.9268      0.00000
    156       3.9843      0.00000
    157       4.0745      0.00000
    158       4.1931      0.00000
    159       4.2368      0.00000
    160       4.2946      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2092      1.00000
      2     -22.0031      1.00000
      3     -21.6443      1.00000
      4     -21.6076      1.00000
      5     -20.9081      1.00000
      6     -20.8621      1.00000
      7     -20.5408      1.00000
      8     -20.5016      1.00000
      9     -20.4915      1.00000
     10     -19.9589      1.00000
     11     -19.4377      1.00000
     12     -19.4108      1.00000
     13     -19.2370      1.00000
     14     -19.2227      1.00000
     15     -18.3793      1.00000
     16     -18.3356      1.00000
     17     -17.8555      1.00000
     18     -17.8346      1.00000
     19     -17.6932      1.00000
     20     -17.6510      1.00000
     21     -17.3677      1.00000
     22     -17.3518      1.00000
     23     -17.2700      1.00000
     24     -16.3969      1.00000
     25     -16.3823      1.00000
     26     -15.8919      1.00000
     27     -15.3480      1.00000
     28     -15.3327      1.00000
     29     -15.0302      1.00000
     30     -15.0164      1.00000
     31     -14.7952      1.00000
     32     -14.7706      1.00000
     33     -14.2175      1.00000
     34     -14.1856      1.00000
     35     -13.3666      1.00000
     36     -13.3330      1.00000
     37     -13.1154      1.00000
     38     -13.0981      1.00000
     39     -12.9114      1.00000
     40     -12.8981      1.00000
     41     -12.5524      1.00000
     42     -12.5345      1.00000
     43     -12.1288      1.00000
     44     -11.5169      1.00000
     45     -11.4695      1.00000
     46     -11.2488      1.00000
     47     -11.2155      1.00000
     48     -11.0752      1.00000
     49     -10.6532      1.00000
     50     -10.5848      1.00000
     51     -10.5181      1.00000
     52     -10.2531      1.00000
     53     -10.2447      1.00000
     54     -10.1188      1.00000
     55     -10.0448      1.00000
     56     -10.0371      1.00000
     57      -9.7652      1.00000
     58      -9.7004      1.00000
     59      -9.6759      1.00000
     60      -9.6263      1.00000
     61      -9.6221      1.00000
     62      -9.5845      1.00000
     63      -9.2899      1.00000
     64      -9.2808      1.00000
     65      -9.2489      1.00000
     66      -9.0821      1.00000
     67      -8.8927      1.00000
     68      -8.8793      1.00000
     69      -8.7214      1.00000
     70      -8.5843      1.00000
     71      -8.5100      1.00000
     72      -8.3274      1.00000
     73      -8.2991      1.00000
     74      -8.2600      1.00000
     75      -8.2289      1.00000
     76      -8.1911      1.00000
     77      -8.1822      1.00000
     78      -8.1666      1.00000
     79      -8.0961      1.00000
     80      -7.6854      1.00000
     81      -7.3587      1.00000
     82      -7.3069      1.00000
     83      -7.2628      1.00000
     84      -7.1836      1.00000
     85      -7.1233      1.00000
     86      -7.0743      1.00000
     87      -6.9039      1.00000
     88      -6.8798      1.00000
     89      -6.5453      1.00000
     90      -6.4884      1.00000
     91      -6.2058      1.00000
     92      -6.0652      1.00000
     93      -5.9378      1.00000
     94      -5.7101      1.00000
     95      -5.6297      1.00000
     96      -5.4487      1.00000
     97      -5.3013      1.00000
     98      -5.2311      1.00000
     99      -5.1492      1.00000
    100      -5.1487      1.00000
    101      -4.5180      1.00000
    102      -4.4691      1.00000
    103      -4.1385      1.00000
    104      -3.8285      1.00000
    105      -3.7551      1.00000
    106      -3.6787      1.00000
    107      -1.8688      0.00000
    108      -1.8220      0.00000
    109      -1.2752      0.00000
    110      -1.0341      0.00000
    111      -1.0100      0.00000
    112      -0.7109      0.00000
    113      -0.6378      0.00000
    114      -0.5865      0.00000
    115      -0.5439      0.00000
    116      -0.2042      0.00000
    117       0.2538      0.00000
    118       0.2807      0.00000
    119       0.7659      0.00000
    120       0.9484      0.00000
    121       1.1358      0.00000
    122       1.2313      0.00000
    123       1.3231      0.00000
    124       1.4150      0.00000
    125       1.6083      0.00000
    126       1.6366      0.00000
    127       1.7110      0.00000
    128       1.8144      0.00000
    129       1.9264      0.00000
    130       2.0236      0.00000
    131       2.0613      0.00000
    132       2.2822      0.00000
    133       2.3996      0.00000
    134       2.4416      0.00000
    135       2.5448      0.00000
    136       2.6396      0.00000
    137       2.7057      0.00000
    138       2.7709      0.00000
    139       2.8386      0.00000
    140       2.8828      0.00000
    141       3.0360      0.00000
    142       3.0981      0.00000
    143       3.1953      0.00000
    144       3.2395      0.00000
    145       3.3835      0.00000
    146       3.4256      0.00000
    147       3.4857      0.00000
    148       3.5695      0.00000
    149       3.5973      0.00000
    150       3.6296      0.00000
    151       3.6513      0.00000
    152       3.7322      0.00000
    153       3.7472      0.00000
    154       3.7576      0.00000
    155       3.7943      0.00000
    156       3.8907      0.00000
    157       3.9825      0.00000
    158       4.0035      0.00000
    159       4.1771      0.00000
    160       4.2150      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2430      1.00000
      2     -21.8887      1.00000
      3     -21.8184      1.00000
      4     -21.3068      1.00000
      5     -21.2768      1.00000
      6     -20.7657      1.00000
      7     -20.6999      1.00000
      8     -20.5514      1.00000
      9     -20.0045      1.00000
     10     -19.9964      1.00000
     11     -19.6431      1.00000
     12     -19.6190      1.00000
     13     -18.9251      1.00000
     14     -18.9160      1.00000
     15     -18.5662      1.00000
     16     -18.5520      1.00000
     17     -18.3892      1.00000
     18     -17.6101      1.00000
     19     -17.5541      1.00000
     20     -17.5489      1.00000
     21     -17.5075      1.00000
     22     -17.0515      1.00000
     23     -17.0335      1.00000
     24     -16.8873      1.00000
     25     -15.9255      1.00000
     26     -15.8625      1.00000
     27     -15.5113      1.00000
     28     -15.5112      1.00000
     29     -15.2237      1.00000
     30     -14.7901      1.00000
     31     -14.7626      1.00000
     32     -14.5107      1.00000
     33     -14.4666      1.00000
     34     -14.0973      1.00000
     35     -14.0863      1.00000
     36     -13.0721      1.00000
     37     -13.0281      1.00000
     38     -12.9618      1.00000
     39     -12.9503      1.00000
     40     -12.6411      1.00000
     41     -12.6337      1.00000
     42     -12.2693      1.00000
     43     -12.2380      1.00000
     44     -11.5826      1.00000
     45     -11.5563      1.00000
     46     -11.5019      1.00000
     47     -10.8990      1.00000
     48     -10.8465      1.00000
     49     -10.6153      1.00000
     50     -10.5549      1.00000
     51     -10.4799      1.00000
     52     -10.4292      1.00000
     53     -10.4193      1.00000
     54     -10.3668      1.00000
     55     -10.2889      1.00000
     56     -10.0610      1.00000
     57      -9.8298      1.00000
     58      -9.5434      1.00000
     59      -9.4833      1.00000
     60      -9.4653      1.00000
     61      -9.3416      1.00000
     62      -9.3264      1.00000
     63      -9.3061      1.00000
     64      -9.3037      1.00000
     65      -9.2107      1.00000
     66      -9.1077      1.00000
     67      -9.0762      1.00000
     68      -9.0456      1.00000
     69      -8.8433      1.00000
     70      -8.7883      1.00000
     71      -8.7701      1.00000
     72      -8.5237      1.00000
     73      -8.4713      1.00000
     74      -8.2170      1.00000
     75      -8.1058      1.00000
     76      -8.0953      1.00000
     77      -7.8030      1.00000
     78      -7.7781      1.00000
     79      -7.7776      1.00000
     80      -7.6701      1.00000
     81      -7.6280      1.00000
     82      -7.6263      1.00000
     83      -7.4020      1.00000
     84      -7.3212      1.00000
     85      -7.2059      1.00000
     86      -6.8350      1.00000
     87      -6.8253      1.00000
     88      -6.6558      1.00000
     89      -6.5360      1.00000
     90      -6.3402      1.00000
     91      -6.3036      1.00000
     92      -6.1813      1.00000
     93      -6.1432      1.00000
     94      -5.9745      1.00000
     95      -5.5686      1.00000
     96      -5.4226      1.00000
     97      -5.2558      1.00000
     98      -5.2426      1.00000
     99      -5.1459      1.00000
    100      -4.6924      1.00000
    101      -4.6627      1.00000
    102      -4.3487      1.00000
    103      -4.3106      1.00000
    104      -3.9621      1.00000
    105      -3.8210      1.00000
    106      -3.3886      1.00000
    107      -2.2180      0.00000
    108      -1.3744      0.00000
    109      -1.2846      0.00000
    110      -1.1714      0.00000
    111      -1.0760      0.00000
    112      -0.8919      0.00000
    113      -0.7664      0.00000
    114      -0.7549      0.00000
    115      -0.2206      0.00000
    116       0.1148      0.00000
    117       0.2654      0.00000
    118       0.3479      0.00000
    119       0.7404      0.00000
    120       0.9068      0.00000
    121       0.9742      0.00000
    122       1.0981      0.00000
    123       1.2114      0.00000
    124       1.5350      0.00000
    125       1.5750      0.00000
    126       1.7132      0.00000
    127       1.8405      0.00000
    128       1.8637      0.00000
    129       1.9398      0.00000
    130       2.0133      0.00000
    131       2.1438      0.00000
    132       2.2807      0.00000
    133       2.4029      0.00000
    134       2.4683      0.00000
    135       2.4692      0.00000
    136       2.6682      0.00000
    137       2.6862      0.00000
    138       2.7407      0.00000
    139       2.7426      0.00000
    140       2.8938      0.00000
    141       3.0297      0.00000
    142       3.0839      0.00000
    143       3.1626      0.00000
    144       3.2063      0.00000
    145       3.2427      0.00000
    146       3.2623      0.00000
    147       3.3509      0.00000
    148       3.4813      0.00000
    149       3.5409      0.00000
    150       3.7053      0.00000
    151       3.7465      0.00000
    152       3.7721      0.00000
    153       3.8192      0.00000
    154       3.8819      0.00000
    155       3.9517      0.00000
    156       3.9709      0.00000
    157       3.9936      0.00000
    158       4.0230      0.00000
    159       4.0305      0.00000
    160       4.1141      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1367      1.00000
      2     -22.0422      1.00000
      3     -21.8819      1.00000
      4     -21.3299      1.00000
      5     -20.9769      1.00000
      6     -20.9387      1.00000
      7     -20.4285      1.00000
      8     -20.3862      1.00000
      9     -20.2218      1.00000
     10     -20.2007      1.00000
     11     -19.8843      1.00000
     12     -19.8171      1.00000
     13     -18.8101      1.00000
     14     -18.7394      1.00000
     15     -18.2850      1.00000
     16     -18.2322      1.00000
     17     -18.0811      1.00000
     18     -18.0616      1.00000
     19     -17.7568      1.00000
     20     -17.7150      1.00000
     21     -17.1843      1.00000
     22     -17.1659      1.00000
     23     -17.0953      1.00000
     24     -17.0595      1.00000
     25     -16.0332      1.00000
     26     -15.8183      1.00000
     27     -15.7953      1.00000
     28     -15.7603      1.00000
     29     -15.1694      1.00000
     30     -14.4866      1.00000
     31     -14.4542      1.00000
     32     -14.2135      1.00000
     33     -13.8908      1.00000
     34     -13.8857      1.00000
     35     -13.7518      1.00000
     36     -13.7317      1.00000
     37     -13.5470      1.00000
     38     -13.4990      1.00000
     39     -13.2951      1.00000
     40     -12.5596      1.00000
     41     -12.1204      1.00000
     42     -12.0620      1.00000
     43     -12.0051      1.00000
     44     -11.9471      1.00000
     45     -11.6063      1.00000
     46     -11.5839      1.00000
     47     -11.0805      1.00000
     48     -11.0479      1.00000
     49     -10.7475      1.00000
     50     -10.6597      1.00000
     51     -10.5197      1.00000
     52     -10.1441      1.00000
     53     -10.1341      1.00000
     54     -10.0928      1.00000
     55      -9.9488      1.00000
     56      -9.9436      1.00000
     57      -9.9131      1.00000
     58      -9.7333      1.00000
     59      -9.7267      1.00000
     60      -9.6966      1.00000
     61      -9.6865      1.00000
     62      -9.4240      1.00000
     63      -9.3590      1.00000
     64      -9.0811      1.00000
     65      -9.0023      1.00000
     66      -8.9704      1.00000
     67      -8.8840      1.00000
     68      -8.8080      1.00000
     69      -8.6533      1.00000
     70      -8.6306      1.00000
     71      -8.5735      1.00000
     72      -8.4741      1.00000
     73      -8.4634      1.00000
     74      -8.3938      1.00000
     75      -8.3902      1.00000
     76      -8.1805      1.00000
     77      -8.1099      1.00000
     78      -7.9742      1.00000
     79      -7.9112      1.00000
     80      -7.8426      1.00000
     81      -7.6134      1.00000
     82      -7.5275      1.00000
     83      -7.4653      1.00000
     84      -7.2663      1.00000
     85      -6.9302      1.00000
     86      -6.8538      1.00000
     87      -6.8073      1.00000
     88      -6.5689      1.00000
     89      -6.4624      1.00000
     90      -6.4167      1.00000
     91      -6.3539      1.00000
     92      -6.0472      1.00000
     93      -5.8737      1.00000
     94      -5.7496      1.00000
     95      -5.7187      1.00000
     96      -5.4724      1.00000
     97      -5.3422      1.00000
     98      -5.1772      1.00000
     99      -5.1531      1.00000
    100      -5.1517      1.00000
    101      -4.7038      1.00000
    102      -4.4401      1.00000
    103      -4.2516      1.00000
    104      -3.9931      1.00000
    105      -3.8199      1.00000
    106      -3.1547      1.00000
    107      -2.4611      0.00000
    108      -1.3765      0.00000
    109      -1.2391      0.00000
    110      -1.1444      0.00000
    111      -1.1126      0.00000
    112      -0.5630      0.00000
    113      -0.4327      0.00000
    114      -0.4285      0.00000
    115      -0.3084      0.00000
    116      -0.1890      0.00000
    117       0.0640      0.00000
    118       0.1174      0.00000
    119       0.5418      0.00000
    120       0.6857      0.00000
    121       0.8766      0.00000
    122       0.9742      0.00000
    123       1.1159      0.00000
    124       1.5001      0.00000
    125       1.6685      0.00000
    126       1.8174      0.00000
    127       1.8826      0.00000
    128       2.0807      0.00000
    129       2.1055      0.00000
    130       2.1650      0.00000
    131       2.2157      0.00000
    132       2.3273      0.00000
    133       2.3422      0.00000
    134       2.4799      0.00000
    135       2.5615      0.00000
    136       2.6785      0.00000
    137       2.8857      0.00000
    138       2.9395      0.00000
    139       2.9692      0.00000
    140       2.9803      0.00000
    141       3.0387      0.00000
    142       3.1370      0.00000
    143       3.1579      0.00000
    144       3.2377      0.00000
    145       3.2975      0.00000
    146       3.3375      0.00000
    147       3.3528      0.00000
    148       3.3844      0.00000
    149       3.4052      0.00000
    150       3.5023      0.00000
    151       3.5495      0.00000
    152       3.6140      0.00000
    153       3.6484      0.00000
    154       3.6934      0.00000
    155       3.7154      0.00000
    156       3.9209      0.00000
    157       3.9308      0.00000
    158       4.0638      0.00000
    159       4.1016      0.00000
    160       4.2088      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2428      1.00000
      2     -21.8901      1.00000
      3     -21.8170      1.00000
      4     -21.3114      1.00000
      5     -21.2728      1.00000
      6     -20.7667      1.00000
      7     -20.6981      1.00000
      8     -20.5499      1.00000
      9     -20.0180      1.00000
     10     -19.9859      1.00000
     11     -19.6456      1.00000
     12     -19.6148      1.00000
     13     -18.9386      1.00000
     14     -18.9042      1.00000
     15     -18.5791      1.00000
     16     -18.5423      1.00000
     17     -18.3876      1.00000
     18     -17.5972      1.00000
     19     -17.5663      1.00000
     20     -17.5369      1.00000
     21     -17.5042      1.00000
     22     -17.0697      1.00000
     23     -17.0234      1.00000
     24     -16.8957      1.00000
     25     -15.9411      1.00000
     26     -15.8465      1.00000
     27     -15.5284      1.00000
     28     -15.5022      1.00000
     29     -15.2050      1.00000
     30     -14.8090      1.00000
     31     -14.7572      1.00000
     32     -14.5051      1.00000
     33     -14.4636      1.00000
     34     -14.0917      1.00000
     35     -14.0886      1.00000
     36     -13.1002      1.00000
     37     -13.0248      1.00000
     38     -12.9524      1.00000
     39     -12.9453      1.00000
     40     -12.6512      1.00000
     41     -12.6232      1.00000
     42     -12.2694      1.00000
     43     -12.2423      1.00000
     44     -11.5684      1.00000
     45     -11.5492      1.00000
     46     -11.4960      1.00000
     47     -10.8732      1.00000
     48     -10.8638      1.00000
     49     -10.6752      1.00000
     50     -10.5212      1.00000
     51     -10.5153      1.00000
     52     -10.4289      1.00000
     53     -10.4116      1.00000
     54     -10.3660      1.00000
     55     -10.2836      1.00000
     56     -10.0564      1.00000
     57      -9.8287      1.00000
     58      -9.5541      1.00000
     59      -9.4803      1.00000
     60      -9.4396      1.00000
     61      -9.3509      1.00000
     62      -9.3349      1.00000
     63      -9.3036      1.00000
     64      -9.2982      1.00000
     65      -9.2025      1.00000
     66      -9.0951      1.00000
     67      -9.0643      1.00000
     68      -9.0448      1.00000
     69      -8.8460      1.00000
     70      -8.7921      1.00000
     71      -8.7737      1.00000
     72      -8.5235      1.00000
     73      -8.4922      1.00000
     74      -8.2220      1.00000
     75      -8.1250      1.00000
     76      -8.0886      1.00000
     77      -7.8026      1.00000
     78      -7.7633      1.00000
     79      -7.7364      1.00000
     80      -7.6992      1.00000
     81      -7.6315      1.00000
     82      -7.6206      1.00000
     83      -7.3873      1.00000
     84      -7.3423      1.00000
     85      -7.2242      1.00000
     86      -6.8394      1.00000
     87      -6.8167      1.00000
     88      -6.6349      1.00000
     89      -6.5264      1.00000
     90      -6.3375      1.00000
     91      -6.2690      1.00000
     92      -6.1922      1.00000
     93      -6.1279      1.00000
     94      -6.0169      1.00000
     95      -5.6310      1.00000
     96      -5.5050      1.00000
     97      -5.2946      1.00000
     98      -5.1531      1.00000
     99      -5.0363      1.00000
    100      -4.7223      1.00000
    101      -4.6828      1.00000
    102      -4.3668      1.00000
    103      -4.1823      1.00000
    104      -4.0060      1.00000
    105      -3.8194      1.00000
    106      -3.4823      1.00000
    107      -2.1627      0.00000
    108      -1.3810      0.00000
    109      -1.2337      0.00000
    110      -1.1835      0.00000
    111      -1.0120      0.00000
    112      -0.9538      0.00000
    113      -0.7954      0.00000
    114      -0.7503      0.00000
    115      -0.3666      0.00000
    116       0.2470      0.00000
    117       0.2784      0.00000
    118       0.3655      0.00000
    119       0.7060      0.00000
    120       0.8705      0.00000
    121       0.9677      0.00000
    122       1.1302      0.00000
    123       1.2416      0.00000
    124       1.4581      0.00000
    125       1.5686      0.00000
    126       1.7816      0.00000
    127       1.8469      0.00000
    128       1.8715      0.00000
    129       1.9926      0.00000
    130       2.0284      0.00000
    131       2.1784      0.00000
    132       2.2239      0.00000
    133       2.3951      0.00000
    134       2.4117      0.00000
    135       2.5097      0.00000
    136       2.6607      0.00000
    137       2.6861      0.00000
    138       2.7359      0.00000
    139       2.7670      0.00000
    140       2.8610      0.00000
    141       2.9761      0.00000
    142       3.0795      0.00000
    143       3.1531      0.00000
    144       3.2022      0.00000
    145       3.2516      0.00000
    146       3.2802      0.00000
    147       3.3207      0.00000
    148       3.4814      0.00000
    149       3.5213      0.00000
    150       3.7043      0.00000
    151       3.7294      0.00000
    152       3.7717      0.00000
    153       3.8575      0.00000
    154       3.8706      0.00000
    155       3.8969      0.00000
    156       3.9615      0.00000
    157       3.9982      0.00000
    158       4.0237      0.00000
    159       4.0383      0.00000
    160       4.0871      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3149      1.00000
      2     -21.7566      1.00000
      3     -21.5630      1.00000
      4     -21.5361      1.00000
      5     -21.2001      1.00000
      6     -21.1617      1.00000
      7     -20.9812      1.00000
      8     -20.0938      1.00000
      9     -20.0555      1.00000
     10     -19.5416      1.00000
     11     -19.5216      1.00000
     12     -19.3404      1.00000
     13     -19.0233      1.00000
     14     -18.9838      1.00000
     15     -18.9729      1.00000
     16     -18.9674      1.00000
     17     -18.2914      1.00000
     18     -18.2780      1.00000
     19     -17.9420      1.00000
     20     -16.9958      1.00000
     21     -16.9556      1.00000
     22     -16.8782      1.00000
     23     -16.8656      1.00000
     24     -16.4115      1.00000
     25     -16.3890      1.00000
     26     -15.5362      1.00000
     27     -15.5329      1.00000
     28     -15.1686      1.00000
     29     -15.1670      1.00000
     30     -15.1264      1.00000
     31     -15.0321      1.00000
     32     -14.9966      1.00000
     33     -14.6289      1.00000
     34     -14.6220      1.00000
     35     -13.6583      1.00000
     36     -13.6486      1.00000
     37     -13.1667      1.00000
     38     -12.5685      1.00000
     39     -12.5090      1.00000
     40     -12.3811      1.00000
     41     -12.3805      1.00000
     42     -12.0311      1.00000
     43     -12.0272      1.00000
     44     -11.6500      1.00000
     45     -11.6102      1.00000
     46     -11.2016      1.00000
     47     -11.1526      1.00000
     48     -10.9505      1.00000
     49     -10.9379      1.00000
     50     -10.8557      1.00000
     51     -10.8238      1.00000
     52     -10.6187      1.00000
     53     -10.1414      1.00000
     54     -10.0799      1.00000
     55     -10.0210      1.00000
     56      -9.9412      1.00000
     57      -9.6272      1.00000
     58      -9.6250      1.00000
     59      -9.5991      1.00000
     60      -9.5363      1.00000
     61      -9.4995      1.00000
     62      -9.4756      1.00000
     63      -9.2680      1.00000
     64      -9.2311      1.00000
     65      -9.2031      1.00000
     66      -9.1750      1.00000
     67      -9.0590      1.00000
     68      -9.0427      1.00000
     69      -9.0393      1.00000
     70      -8.8737      1.00000
     71      -8.8040      1.00000
     72      -8.5302      1.00000
     73      -8.5284      1.00000
     74      -8.4945      1.00000
     75      -8.0271      1.00000
     76      -7.8282      1.00000
     77      -7.7956      1.00000
     78      -7.7706      1.00000
     79      -7.6994      1.00000
     80      -7.6801      1.00000
     81      -7.4178      1.00000
     82      -7.2841      1.00000
     83      -7.2476      1.00000
     84      -7.1994      1.00000
     85      -7.0774      1.00000
     86      -7.0770      1.00000
     87      -6.9343      1.00000
     88      -6.7073      1.00000
     89      -6.6706      1.00000
     90      -6.6264      1.00000
     91      -6.5548      1.00000
     92      -6.0677      1.00000
     93      -6.0278      1.00000
     94      -5.9970      1.00000
     95      -5.9344      1.00000
     96      -5.7958      1.00000
     97      -5.1750      1.00000
     98      -4.8901      1.00000
     99      -4.7897      1.00000
    100      -4.6083      1.00000
    101      -4.5104      1.00000
    102      -4.1366      1.00000
    103      -4.0899      1.00000
    104      -3.9294      1.00000
    105      -3.9142      1.00000
    106      -3.8188      1.00000
    107      -1.7497      0.00000
    108      -1.6945      0.00000
    109      -1.4079      0.00000
    110      -1.3695      0.00000
    111      -1.2627      0.00000
    112      -1.2334      0.00000
    113      -0.6238      0.00000
    114      -0.5966      0.00000
    115      -0.1880      0.00000
    116       0.0423      0.00000
    117       0.5893      0.00000
    118       0.7440      0.00000
    119       0.8510      0.00000
    120       0.9292      0.00000
    121       1.1696      0.00000
    122       1.2147      0.00000
    123       1.2487      0.00000
    124       1.4273      0.00000
    125       1.5997      0.00000
    126       1.6439      0.00000
    127       1.7129      0.00000
    128       1.7783      0.00000
    129       1.9198      0.00000
    130       1.9418      0.00000
    131       2.1432      0.00000
    132       2.1819      0.00000
    133       2.2622      0.00000
    134       2.3083      0.00000
    135       2.5516      0.00000
    136       2.5743      0.00000
    137       2.5882      0.00000
    138       2.7589      0.00000
    139       2.7861      0.00000
    140       2.7980      0.00000
    141       2.8953      0.00000
    142       2.9151      0.00000
    143       3.0187      0.00000
    144       3.0398      0.00000
    145       3.1006      0.00000
    146       3.2897      0.00000
    147       3.3198      0.00000
    148       3.3834      0.00000
    149       3.4738      0.00000
    150       3.5747      0.00000
    151       3.6348      0.00000
    152       3.6485      0.00000
    153       3.6785      0.00000
    154       3.8887      0.00000
    155       3.9664      0.00000
    156       4.0114      0.00000
    157       4.0821      0.00000
    158       4.2274      0.00000
    159       4.2543      0.00000
    160       4.2597      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1359      1.00000
      2     -22.0436      1.00000
      3     -21.8815      1.00000
      4     -21.3308      1.00000
      5     -20.9719      1.00000
      6     -20.9428      1.00000
      7     -20.4233      1.00000
      8     -20.3915      1.00000
      9     -20.2119      1.00000
     10     -20.2093      1.00000
     11     -19.8832      1.00000
     12     -19.8195      1.00000
     13     -18.8131      1.00000
     14     -18.7424      1.00000
     15     -18.2615      1.00000
     16     -18.2472      1.00000
     17     -18.0762      1.00000
     18     -18.0690      1.00000
     19     -17.7417      1.00000
     20     -17.7257      1.00000
     21     -17.1908      1.00000
     22     -17.1670      1.00000
     23     -17.0849      1.00000
     24     -17.0637      1.00000
     25     -16.0493      1.00000
     26     -15.8039      1.00000
     27     -15.7944      1.00000
     28     -15.7733      1.00000
     29     -15.1552      1.00000
     30     -14.4809      1.00000
     31     -14.4599      1.00000
     32     -14.2002      1.00000
     33     -13.9120      1.00000
     34     -13.8825      1.00000
     35     -13.7549      1.00000
     36     -13.7346      1.00000
     37     -13.5322      1.00000
     38     -13.5058      1.00000
     39     -13.2966      1.00000
     40     -12.5718      1.00000
     41     -12.0972      1.00000
     42     -12.0726      1.00000
     43     -11.9940      1.00000
     44     -11.9461      1.00000
     45     -11.6015      1.00000
     46     -11.5938      1.00000
     47     -11.0803      1.00000
     48     -11.0564      1.00000
     49     -10.7273      1.00000
     50     -10.6598      1.00000
     51     -10.5516      1.00000
     52     -10.1354      1.00000
     53     -10.1311      1.00000
     54     -10.0974      1.00000
     55      -9.9622      1.00000
     56      -9.9212      1.00000
     57      -9.9179      1.00000
     58      -9.7467      1.00000
     59      -9.7249      1.00000
     60      -9.6934      1.00000
     61      -9.6902      1.00000
     62      -9.3965      1.00000
     63      -9.3846      1.00000
     64      -9.0642      1.00000
     65      -8.9779      1.00000
     66      -8.9775      1.00000
     67      -8.9015      1.00000
     68      -8.8088      1.00000
     69      -8.6458      1.00000
     70      -8.6293      1.00000
     71      -8.5432      1.00000
     72      -8.4970      1.00000
     73      -8.4785      1.00000
     74      -8.3898      1.00000
     75      -8.3788      1.00000
     76      -8.2058      1.00000
     77      -8.0980      1.00000
     78      -8.0033      1.00000
     79      -7.8981      1.00000
     80      -7.8394      1.00000
     81      -7.6192      1.00000
     82      -7.5302      1.00000
     83      -7.4525      1.00000
     84      -7.2621      1.00000
     85      -6.9385      1.00000
     86      -6.8653      1.00000
     87      -6.8063      1.00000
     88      -6.4751      1.00000
     89      -6.4646      1.00000
     90      -6.4052      1.00000
     91      -6.3566      1.00000
     92      -6.1818      1.00000
     93      -5.8552      1.00000
     94      -5.7347      1.00000
     95      -5.7082      1.00000
     96      -5.5184      1.00000
     97      -5.3261      1.00000
     98      -5.1694      1.00000
     99      -5.1645      1.00000
    100      -5.1310      1.00000
    101      -4.6935      1.00000
    102      -4.3478      1.00000
    103      -4.2763      1.00000
    104      -4.0255      1.00000
    105      -3.8208      1.00000
    106      -3.2309      1.00000
    107      -2.4038      0.00000
    108      -1.3430      0.00000
    109      -1.2418      0.00000
    110      -1.1521      0.00000
    111      -1.1061      0.00000
    112      -0.5822      0.00000
    113      -0.5196      0.00000
    114      -0.4320      0.00000
    115      -0.2726      0.00000
    116      -0.0705      0.00000
    117      -0.0098      0.00000
    118       0.0616      0.00000
    119       0.5855      0.00000
    120       0.7122      0.00000
    121       0.8149      0.00000
    122       0.9487      0.00000
    123       1.1885      0.00000
    124       1.5210      0.00000
    125       1.6227      0.00000
    126       1.8693      0.00000
    127       2.0113      0.00000
    128       2.0521      0.00000
    129       2.0888      0.00000
    130       2.1242      0.00000
    131       2.2261      0.00000
    132       2.2873      0.00000
    133       2.3391      0.00000
    134       2.4289      0.00000
    135       2.6063      0.00000
    136       2.7076      0.00000
    137       2.8333      0.00000
    138       2.9164      0.00000
    139       2.9431      0.00000
    140       3.0003      0.00000
    141       3.0438      0.00000
    142       3.1244      0.00000
    143       3.1668      0.00000
    144       3.2127      0.00000
    145       3.3053      0.00000
    146       3.3147      0.00000
    147       3.3576      0.00000
    148       3.3769      0.00000
    149       3.4247      0.00000
    150       3.4384      0.00000
    151       3.5515      0.00000
    152       3.6025      0.00000
    153       3.6527      0.00000
    154       3.6923      0.00000
    155       3.8593      0.00000
    156       3.8927      0.00000
    157       3.9394      0.00000
    158       3.9591      0.00000
    159       4.1616      0.00000
    160       4.1937      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2088      1.00000
      2     -22.0037      1.00000
      3     -21.6416      1.00000
      4     -21.6107      1.00000
      5     -20.9051      1.00000
      6     -20.8649      1.00000
      7     -20.5346      1.00000
      8     -20.5023      1.00000
      9     -20.4956      1.00000
     10     -19.9580      1.00000
     11     -19.4365      1.00000
     12     -19.4145      1.00000
     13     -19.2354      1.00000
     14     -19.2285      1.00000
     15     -18.3717      1.00000
     16     -18.3370      1.00000
     17     -17.8545      1.00000
     18     -17.8385      1.00000
     19     -17.6869      1.00000
     20     -17.6515      1.00000
     21     -17.3679      1.00000
     22     -17.3539      1.00000
     23     -17.2634      1.00000
     24     -16.4091      1.00000
     25     -16.3858      1.00000
     26     -15.9002      1.00000
     27     -15.3391      1.00000
     28     -15.3342      1.00000
     29     -15.0267      1.00000
     30     -15.0171      1.00000
     31     -14.7725      1.00000
     32     -14.7702      1.00000
     33     -14.2334      1.00000
     34     -14.1829      1.00000
     35     -13.3835      1.00000
     36     -13.3293      1.00000
     37     -13.1068      1.00000
     38     -13.0989      1.00000
     39     -12.9132      1.00000
     40     -12.9077      1.00000
     41     -12.5412      1.00000
     42     -12.5336      1.00000
     43     -12.1294      1.00000
     44     -11.5090      1.00000
     45     -11.4650      1.00000
     46     -11.2399      1.00000
     47     -11.2088      1.00000
     48     -11.0822      1.00000
     49     -10.6993      1.00000
     50     -10.5911      1.00000
     51     -10.5041      1.00000
     52     -10.2474      1.00000
     53     -10.2433      1.00000
     54     -10.1175      1.00000
     55     -10.0496      1.00000
     56     -10.0354      1.00000
     57      -9.7806      1.00000
     58      -9.6828      1.00000
     59      -9.6697      1.00000
     60      -9.6337      1.00000
     61      -9.6239      1.00000
     62      -9.5828      1.00000
     63      -9.2913      1.00000
     64      -9.2795      1.00000
     65      -9.2485      1.00000
     66      -9.0594      1.00000
     67      -8.8907      1.00000
     68      -8.8798      1.00000
     69      -8.7156      1.00000
     70      -8.5764      1.00000
     71      -8.5217      1.00000
     72      -8.3470      1.00000
     73      -8.3014      1.00000
     74      -8.2395      1.00000
     75      -8.2339      1.00000
     76      -8.1903      1.00000
     77      -8.1780      1.00000
     78      -8.1652      1.00000
     79      -8.1028      1.00000
     80      -7.6862      1.00000
     81      -7.4227      1.00000
     82      -7.3397      1.00000
     83      -7.2563      1.00000
     84      -7.1650      1.00000
     85      -7.1072      1.00000
     86      -7.0037      1.00000
     87      -6.9006      1.00000
     88      -6.8466      1.00000
     89      -6.5379      1.00000
     90      -6.4948      1.00000
     91      -6.2046      1.00000
     92      -6.1974      1.00000
     93      -5.8917      1.00000
     94      -5.6698      1.00000
     95      -5.6029      1.00000
     96      -5.5772      1.00000
     97      -5.2504      1.00000
     98      -5.2283      1.00000
     99      -5.1619      1.00000
    100      -5.1319      1.00000
    101      -4.5979      1.00000
    102      -4.2468      1.00000
    103      -4.0418      1.00000
    104      -3.8820      1.00000
    105      -3.8353      1.00000
    106      -3.7973      1.00000
    107      -1.8060      0.00000
    108      -1.7793      0.00000
    109      -1.2230      0.00000
    110      -1.1734      0.00000
    111      -0.9722      0.00000
    112      -0.7326      0.00000
    113      -0.6482      0.00000
    114      -0.5921      0.00000
    115      -0.5473      0.00000
    116      -0.1543      0.00000
    117       0.1777      0.00000
    118       0.2901      0.00000
    119       0.7112      0.00000
    120       0.9538      0.00000
    121       1.1721      0.00000
    122       1.2795      0.00000
    123       1.3487      0.00000
    124       1.5194      0.00000
    125       1.6144      0.00000
    126       1.6336      0.00000
    127       1.6958      0.00000
    128       1.7731      0.00000
    129       1.8656      0.00000
    130       2.0383      0.00000
    131       2.1529      0.00000
    132       2.2863      0.00000
    133       2.4067      0.00000
    134       2.4186      0.00000
    135       2.5644      0.00000
    136       2.6331      0.00000
    137       2.6890      0.00000
    138       2.6959      0.00000
    139       2.7666      0.00000
    140       2.9039      0.00000
    141       3.0452      0.00000
    142       3.0688      0.00000
    143       3.1887      0.00000
    144       3.2822      0.00000
    145       3.3916      0.00000
    146       3.4091      0.00000
    147       3.4585      0.00000
    148       3.5371      0.00000
    149       3.5694      0.00000
    150       3.6367      0.00000
    151       3.6642      0.00000
    152       3.7026      0.00000
    153       3.7487      0.00000
    154       3.7488      0.00000
    155       3.8311      0.00000
    156       3.9013      0.00000
    157       3.9028      0.00000
    158       3.9686      0.00000
    159       4.1891      0.00000
    160       4.2276      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3515      1.00000
      2     -21.5310      1.00000
      3     -21.4024      1.00000
      4     -21.4016      1.00000
      5     -21.3703      1.00000
      6     -21.3613      1.00000
      7     -21.3537      1.00000
      8     -19.6410      1.00000
      9     -19.5670      1.00000
     10     -19.5605      1.00000
     11     -19.5538      1.00000
     12     -19.5363      1.00000
     13     -19.5333      1.00000
     14     -18.7229      1.00000
     15     -18.6753      1.00000
     16     -18.6675      1.00000
     17     -18.6543      1.00000
     18     -18.6390      1.00000
     19     -18.6370      1.00000
     20     -16.5808      1.00000
     21     -16.5224      1.00000
     22     -16.5200      1.00000
     23     -16.5070      1.00000
     24     -16.4828      1.00000
     25     -16.4809      1.00000
     26     -15.5538      1.00000
     27     -15.5218      1.00000
     28     -15.5211      1.00000
     29     -15.4951      1.00000
     30     -15.4899      1.00000
     31     -15.4844      1.00000
     32     -14.2016      1.00000
     33     -14.1755      1.00000
     34     -14.1635      1.00000
     35     -14.1601      1.00000
     36     -14.1555      1.00000
     37     -14.1446      1.00000
     38     -11.8787      1.00000
     39     -11.8041      1.00000
     40     -11.7878      1.00000
     41     -11.7876      1.00000
     42     -11.7842      1.00000
     43     -11.7787      1.00000
     44     -11.7000      1.00000
     45     -11.6935      1.00000
     46     -11.6685      1.00000
     47     -11.6533      1.00000
     48     -11.6529      1.00000
     49     -11.6463      1.00000
     50     -10.6671      1.00000
     51     -10.3245      1.00000
     52     -10.3161      1.00000
     53     -10.3013      1.00000
     54     -10.2995      1.00000
     55     -10.2869      1.00000
     56     -10.2735      1.00000
     57      -9.9207      1.00000
     58      -9.3690      1.00000
     59      -9.3560      1.00000
     60      -9.2970      1.00000
     61      -9.2888      1.00000
     62      -9.2819      1.00000
     63      -9.0877      1.00000
     64      -9.0500      1.00000
     65      -9.0449      1.00000
     66      -9.0221      1.00000
     67      -9.0024      1.00000
     68      -8.9973      1.00000
     69      -8.9968      1.00000
     70      -8.9903      1.00000
     71      -8.9879      1.00000
     72      -8.9684      1.00000
     73      -8.9600      1.00000
     74      -8.9509      1.00000
     75      -8.4901      1.00000
     76      -7.5153      1.00000
     77      -7.4064      1.00000
     78      -7.4061      1.00000
     79      -7.3938      1.00000
     80      -7.3794      1.00000
     81      -7.3606      1.00000
     82      -7.3366      1.00000
     83      -7.3083      1.00000
     84      -7.2646      1.00000
     85      -7.2029      1.00000
     86      -7.1773      1.00000
     87      -7.1771      1.00000
     88      -7.0790      1.00000
     89      -6.5037      1.00000
     90      -6.4573      1.00000
     91      -6.3513      1.00000
     92      -6.2914      1.00000
     93      -6.2848      1.00000
     94      -6.2838      1.00000
     95      -5.8933      1.00000
     96      -5.8808      1.00000
     97      -5.0385      1.00000
     98      -4.9330      1.00000
     99      -4.5337      1.00000
    100      -4.3381      1.00000
    101      -4.3155      1.00000
    102      -4.3144      1.00000
    103      -4.1153      1.00000
    104      -3.9106      1.00000
    105      -3.9003      1.00000
    106      -3.8246      1.00000
    107      -1.6792      0.00000
    108      -1.6659      0.00000
    109      -1.5346      0.00000
    110      -1.5326      0.00000
    111      -1.5220      0.00000
    112      -1.5068      0.00000
    113      -0.5864      0.00000
    114       0.1352      0.00000
    115       0.2086      0.00000
    116       0.3264      0.00000
    117       0.3289      0.00000
    118       0.3358      0.00000
    119       0.4954      0.00000
    120       0.6032      0.00000
    121       1.2603      0.00000
    122       1.2766      0.00000
    123       1.5317      0.00000
    124       1.7525      0.00000
    125       1.8105      0.00000
    126       1.8143      0.00000
    127       1.8188      0.00000
    128       1.9480      0.00000
    129       1.9879      0.00000
    130       2.0336      0.00000
    131       2.0475      0.00000
    132       2.0528      0.00000
    133       2.0580      0.00000
    134       2.0636      0.00000
    135       2.3146      0.00000
    136       2.3188      0.00000
    137       2.6277      0.00000
    138       2.6369      0.00000
    139       2.6642      0.00000
    140       2.7129      0.00000
    141       2.8709      0.00000
    142       2.9910      0.00000
    143       3.0124      0.00000
    144       3.0310      0.00000
    145       3.0315      0.00000
    146       3.0351      0.00000
    147       3.0771      0.00000
    148       3.2359      0.00000
    149       3.4198      0.00000
    150       3.5437      0.00000
    151       3.7727      0.00000
    152       3.9304      0.00000
    153       3.9316      0.00000
    154       3.9374      0.00000
    155       3.9466      0.00000
    156       4.0031      0.00000
    157       4.1759      0.00000
    158       4.2598      0.00000
    159       4.2886      0.00000
    160       4.2899      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3149      1.00000
      2     -21.7563      1.00000
      3     -21.5657      1.00000
      4     -21.5333      1.00000
      5     -21.2029      1.00000
      6     -21.1583      1.00000
      7     -20.9825      1.00000
      8     -20.0968      1.00000
      9     -20.0531      1.00000
     10     -19.5416      1.00000
     11     -19.5170      1.00000
     12     -19.3445      1.00000
     13     -19.0200      1.00000
     14     -18.9849      1.00000
     15     -18.9767      1.00000
     16     -18.9648      1.00000
     17     -18.2928      1.00000
     18     -18.2736      1.00000
     19     -17.9475      1.00000
     20     -17.0048      1.00000
     21     -16.9554      1.00000
     22     -16.8742      1.00000
     23     -16.8646      1.00000
     24     -16.4005      1.00000
     25     -16.3859      1.00000
     26     -15.5471      1.00000
     27     -15.5313      1.00000
     28     -15.1930      1.00000
     29     -15.1647      1.00000
     30     -15.1101      1.00000
     31     -15.0232      1.00000
     32     -14.9984      1.00000
     33     -14.6317      1.00000
     34     -14.6200      1.00000
     35     -13.6629      1.00000
     36     -13.6476      1.00000
     37     -13.1652      1.00000
     38     -12.5466      1.00000
     39     -12.5135      1.00000
     40     -12.3863      1.00000
     41     -12.3733      1.00000
     42     -12.0528      1.00000
     43     -12.0301      1.00000
     44     -11.6543      1.00000
     45     -11.6127      1.00000
     46     -11.1761      1.00000
     47     -11.1527      1.00000
     48     -10.9600      1.00000
     49     -10.9361      1.00000
     50     -10.8685      1.00000
     51     -10.8328      1.00000
     52     -10.5970      1.00000
     53     -10.0886      1.00000
     54     -10.0839      1.00000
     55     -10.0412      1.00000
     56      -9.9663      1.00000
     57      -9.6498      1.00000
     58      -9.6248      1.00000
     59      -9.5881      1.00000
     60      -9.5256      1.00000
     61      -9.5066      1.00000
     62      -9.4755      1.00000
     63      -9.2601      1.00000
     64      -9.2367      1.00000
     65      -9.2166      1.00000
     66      -9.1621      1.00000
     67      -9.0649      1.00000
     68      -9.0424      1.00000
     69      -9.0366      1.00000
     70      -8.8791      1.00000
     71      -8.8020      1.00000
     72      -8.5719      1.00000
     73      -8.5183      1.00000
     74      -8.4542      1.00000
     75      -8.0310      1.00000
     76      -7.8074      1.00000
     77      -7.8034      1.00000
     78      -7.7885      1.00000
     79      -7.6962      1.00000
     80      -7.6866      1.00000
     81      -7.3671      1.00000
     82      -7.2695      1.00000
     83      -7.2606      1.00000
     84      -7.2147      1.00000
     85      -7.1702      1.00000
     86      -7.0066      1.00000
     87      -6.9433      1.00000
     88      -6.7423      1.00000
     89      -6.6691      1.00000
     90      -6.5917      1.00000
     91      -6.5565      1.00000
     92      -6.0462      1.00000
     93      -6.0430      1.00000
     94      -6.0181      1.00000
     95      -5.9554      1.00000
     96      -5.7333      1.00000
     97      -5.1485      1.00000
     98      -4.9853      1.00000
     99      -4.7149      1.00000
    100      -4.6083      1.00000
    101      -4.4368      1.00000
    102      -4.3715      1.00000
    103      -4.1196      1.00000
    104      -3.8664      1.00000
    105      -3.8255      1.00000
    106      -3.7889      1.00000
    107      -1.7831      0.00000
    108      -1.7365      0.00000
    109      -1.3924      0.00000
    110      -1.3439      0.00000
    111      -1.2632      0.00000
    112      -1.2237      0.00000
    113      -0.7440      0.00000
    114      -0.3784      0.00000
    115      -0.2185      0.00000
    116      -0.0187      0.00000
    117       0.5944      0.00000
    118       0.7402      0.00000
    119       0.7668      0.00000
    120       1.0516      0.00000
    121       1.1434      0.00000
    122       1.2519      0.00000
    123       1.2751      0.00000
    124       1.4182      0.00000
    125       1.4858      0.00000
    126       1.5918      0.00000
    127       1.7392      0.00000
    128       1.8375      0.00000
    129       1.8933      0.00000
    130       1.9618      0.00000
    131       2.0966      0.00000
    132       2.2467      0.00000
    133       2.2535      0.00000
    134       2.3053      0.00000
    135       2.4939      0.00000
    136       2.5801      0.00000
    137       2.6352      0.00000
    138       2.7653      0.00000
    139       2.7809      0.00000
    140       2.8108      0.00000
    141       2.8654      0.00000
    142       2.8863      0.00000
    143       2.9377      0.00000
    144       3.0965      0.00000
    145       3.2796      0.00000
    146       3.2889      0.00000
    147       3.3373      0.00000
    148       3.3652      0.00000
    149       3.4645      0.00000
    150       3.5588      0.00000
    151       3.6075      0.00000
    152       3.6660      0.00000
    153       3.7015      0.00000
    154       3.9039      0.00000
    155       3.9268      0.00000
    156       3.9843      0.00000
    157       4.0745      0.00000
    158       4.1931      0.00000
    159       4.2368      0.00000
    160       4.2946      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2092      1.00000
      2     -22.0031      1.00000
      3     -21.6443      1.00000
      4     -21.6076      1.00000
      5     -20.9081      1.00000
      6     -20.8621      1.00000
      7     -20.5408      1.00000
      8     -20.5016      1.00000
      9     -20.4915      1.00000
     10     -19.9589      1.00000
     11     -19.4377      1.00000
     12     -19.4108      1.00000
     13     -19.2370      1.00000
     14     -19.2227      1.00000
     15     -18.3793      1.00000
     16     -18.3356      1.00000
     17     -17.8555      1.00000
     18     -17.8346      1.00000
     19     -17.6932      1.00000
     20     -17.6510      1.00000
     21     -17.3677      1.00000
     22     -17.3518      1.00000
     23     -17.2700      1.00000
     24     -16.3969      1.00000
     25     -16.3823      1.00000
     26     -15.8919      1.00000
     27     -15.3480      1.00000
     28     -15.3327      1.00000
     29     -15.0302      1.00000
     30     -15.0164      1.00000
     31     -14.7952      1.00000
     32     -14.7706      1.00000
     33     -14.2175      1.00000
     34     -14.1856      1.00000
     35     -13.3666      1.00000
     36     -13.3330      1.00000
     37     -13.1154      1.00000
     38     -13.0981      1.00000
     39     -12.9114      1.00000
     40     -12.8981      1.00000
     41     -12.5524      1.00000
     42     -12.5345      1.00000
     43     -12.1288      1.00000
     44     -11.5169      1.00000
     45     -11.4695      1.00000
     46     -11.2488      1.00000
     47     -11.2155      1.00000
     48     -11.0752      1.00000
     49     -10.6532      1.00000
     50     -10.5848      1.00000
     51     -10.5181      1.00000
     52     -10.2531      1.00000
     53     -10.2447      1.00000
     54     -10.1188      1.00000
     55     -10.0448      1.00000
     56     -10.0371      1.00000
     57      -9.7652      1.00000
     58      -9.7004      1.00000
     59      -9.6759      1.00000
     60      -9.6263      1.00000
     61      -9.6221      1.00000
     62      -9.5845      1.00000
     63      -9.2899      1.00000
     64      -9.2808      1.00000
     65      -9.2489      1.00000
     66      -9.0821      1.00000
     67      -8.8927      1.00000
     68      -8.8793      1.00000
     69      -8.7214      1.00000
     70      -8.5843      1.00000
     71      -8.5100      1.00000
     72      -8.3274      1.00000
     73      -8.2991      1.00000
     74      -8.2600      1.00000
     75      -8.2289      1.00000
     76      -8.1911      1.00000
     77      -8.1822      1.00000
     78      -8.1666      1.00000
     79      -8.0961      1.00000
     80      -7.6854      1.00000
     81      -7.3587      1.00000
     82      -7.3069      1.00000
     83      -7.2628      1.00000
     84      -7.1836      1.00000
     85      -7.1233      1.00000
     86      -7.0743      1.00000
     87      -6.9039      1.00000
     88      -6.8798      1.00000
     89      -6.5453      1.00000
     90      -6.4884      1.00000
     91      -6.2058      1.00000
     92      -6.0652      1.00000
     93      -5.9378      1.00000
     94      -5.7101      1.00000
     95      -5.6297      1.00000
     96      -5.4487      1.00000
     97      -5.3013      1.00000
     98      -5.2311      1.00000
     99      -5.1492      1.00000
    100      -5.1487      1.00000
    101      -4.5180      1.00000
    102      -4.4691      1.00000
    103      -4.1385      1.00000
    104      -3.8285      1.00000
    105      -3.7551      1.00000
    106      -3.6787      1.00000
    107      -1.8688      0.00000
    108      -1.8220      0.00000
    109      -1.2752      0.00000
    110      -1.0341      0.00000
    111      -1.0100      0.00000
    112      -0.7109      0.00000
    113      -0.6378      0.00000
    114      -0.5865      0.00000
    115      -0.5439      0.00000
    116      -0.2042      0.00000
    117       0.2538      0.00000
    118       0.2807      0.00000
    119       0.7659      0.00000
    120       0.9484      0.00000
    121       1.1358      0.00000
    122       1.2313      0.00000
    123       1.3231      0.00000
    124       1.4150      0.00000
    125       1.6083      0.00000
    126       1.6366      0.00000
    127       1.7110      0.00000
    128       1.8144      0.00000
    129       1.9264      0.00000
    130       2.0236      0.00000
    131       2.0613      0.00000
    132       2.2822      0.00000
    133       2.3996      0.00000
    134       2.4416      0.00000
    135       2.5449      0.00000
    136       2.6396      0.00000
    137       2.7057      0.00000
    138       2.7709      0.00000
    139       2.8386      0.00000
    140       2.8828      0.00000
    141       3.0361      0.00000
    142       3.0981      0.00000
    143       3.1953      0.00000
    144       3.2395      0.00000
    145       3.3835      0.00000
    146       3.4256      0.00000
    147       3.4858      0.00000
    148       3.5695      0.00000
    149       3.5973      0.00000
    150       3.6296      0.00000
    151       3.6513      0.00000
    152       3.7322      0.00000
    153       3.7472      0.00000
    154       3.7576      0.00000
    155       3.7943      0.00000
    156       3.8907      0.00000
    157       3.9825      0.00000
    158       4.0035      0.00000
    159       4.1771      0.00000
    160       4.2150      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2430      1.00000
      2     -21.8887      1.00000
      3     -21.8184      1.00000
      4     -21.3068      1.00000
      5     -21.2768      1.00000
      6     -20.7657      1.00000
      7     -20.6999      1.00000
      8     -20.5514      1.00000
      9     -20.0045      1.00000
     10     -19.9964      1.00000
     11     -19.6431      1.00000
     12     -19.6190      1.00000
     13     -18.9251      1.00000
     14     -18.9160      1.00000
     15     -18.5662      1.00000
     16     -18.5520      1.00000
     17     -18.3892      1.00000
     18     -17.6101      1.00000
     19     -17.5541      1.00000
     20     -17.5489      1.00000
     21     -17.5075      1.00000
     22     -17.0515      1.00000
     23     -17.0335      1.00000
     24     -16.8873      1.00000
     25     -15.9255      1.00000
     26     -15.8625      1.00000
     27     -15.5113      1.00000
     28     -15.5112      1.00000
     29     -15.2237      1.00000
     30     -14.7901      1.00000
     31     -14.7626      1.00000
     32     -14.5107      1.00000
     33     -14.4666      1.00000
     34     -14.0973      1.00000
     35     -14.0863      1.00000
     36     -13.0721      1.00000
     37     -13.0281      1.00000
     38     -12.9618      1.00000
     39     -12.9503      1.00000
     40     -12.6411      1.00000
     41     -12.6337      1.00000
     42     -12.2693      1.00000
     43     -12.2380      1.00000
     44     -11.5826      1.00000
     45     -11.5563      1.00000
     46     -11.5019      1.00000
     47     -10.8990      1.00000
     48     -10.8465      1.00000
     49     -10.6153      1.00000
     50     -10.5549      1.00000
     51     -10.4799      1.00000
     52     -10.4292      1.00000
     53     -10.4193      1.00000
     54     -10.3668      1.00000
     55     -10.2889      1.00000
     56     -10.0610      1.00000
     57      -9.8298      1.00000
     58      -9.5434      1.00000
     59      -9.4833      1.00000
     60      -9.4653      1.00000
     61      -9.3416      1.00000
     62      -9.3264      1.00000
     63      -9.3061      1.00000
     64      -9.3037      1.00000
     65      -9.2107      1.00000
     66      -9.1077      1.00000
     67      -9.0762      1.00000
     68      -9.0456      1.00000
     69      -8.8433      1.00000
     70      -8.7883      1.00000
     71      -8.7701      1.00000
     72      -8.5237      1.00000
     73      -8.4713      1.00000
     74      -8.2170      1.00000
     75      -8.1058      1.00000
     76      -8.0953      1.00000
     77      -7.8030      1.00000
     78      -7.7781      1.00000
     79      -7.7776      1.00000
     80      -7.6701      1.00000
     81      -7.6280      1.00000
     82      -7.6263      1.00000
     83      -7.4020      1.00000
     84      -7.3212      1.00000
     85      -7.2059      1.00000
     86      -6.8350      1.00000
     87      -6.8253      1.00000
     88      -6.6558      1.00000
     89      -6.5360      1.00000
     90      -6.3402      1.00000
     91      -6.3036      1.00000
     92      -6.1813      1.00000
     93      -6.1432      1.00000
     94      -5.9745      1.00000
     95      -5.5686      1.00000
     96      -5.4226      1.00000
     97      -5.2558      1.00000
     98      -5.2426      1.00000
     99      -5.1459      1.00000
    100      -4.6924      1.00000
    101      -4.6627      1.00000
    102      -4.3487      1.00000
    103      -4.3106      1.00000
    104      -3.9621      1.00000
    105      -3.8210      1.00000
    106      -3.3886      1.00000
    107      -2.2180      0.00000
    108      -1.3744      0.00000
    109      -1.2846      0.00000
    110      -1.1714      0.00000
    111      -1.0760      0.00000
    112      -0.8919      0.00000
    113      -0.7664      0.00000
    114      -0.7549      0.00000
    115      -0.2206      0.00000
    116       0.1148      0.00000
    117       0.2654      0.00000
    118       0.3479      0.00000
    119       0.7404      0.00000
    120       0.9068      0.00000
    121       0.9742      0.00000
    122       1.0981      0.00000
    123       1.2114      0.00000
    124       1.5350      0.00000
    125       1.5750      0.00000
    126       1.7132      0.00000
    127       1.8405      0.00000
    128       1.8637      0.00000
    129       1.9398      0.00000
    130       2.0133      0.00000
    131       2.1438      0.00000
    132       2.2807      0.00000
    133       2.4029      0.00000
    134       2.4683      0.00000
    135       2.4692      0.00000
    136       2.6682      0.00000
    137       2.6862      0.00000
    138       2.7407      0.00000
    139       2.7426      0.00000
    140       2.8938      0.00000
    141       3.0297      0.00000
    142       3.0839      0.00000
    143       3.1626      0.00000
    144       3.2063      0.00000
    145       3.2427      0.00000
    146       3.2623      0.00000
    147       3.3509      0.00000
    148       3.4813      0.00000
    149       3.5409      0.00000
    150       3.7053      0.00000
    151       3.7465      0.00000
    152       3.7721      0.00000
    153       3.8192      0.00000
    154       3.8820      0.00000
    155       3.9517      0.00000
    156       3.9709      0.00000
    157       3.9936      0.00000
    158       4.0230      0.00000
    159       4.0305      0.00000
    160       4.1137      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1367      1.00000
      2     -22.0422      1.00000
      3     -21.8819      1.00000
      4     -21.3299      1.00000
      5     -20.9769      1.00000
      6     -20.9387      1.00000
      7     -20.4285      1.00000
      8     -20.3862      1.00000
      9     -20.2218      1.00000
     10     -20.2007      1.00000
     11     -19.8843      1.00000
     12     -19.8171      1.00000
     13     -18.8101      1.00000
     14     -18.7394      1.00000
     15     -18.2850      1.00000
     16     -18.2322      1.00000
     17     -18.0811      1.00000
     18     -18.0616      1.00000
     19     -17.7568      1.00000
     20     -17.7150      1.00000
     21     -17.1843      1.00000
     22     -17.1659      1.00000
     23     -17.0953      1.00000
     24     -17.0595      1.00000
     25     -16.0332      1.00000
     26     -15.8183      1.00000
     27     -15.7953      1.00000
     28     -15.7603      1.00000
     29     -15.1694      1.00000
     30     -14.4866      1.00000
     31     -14.4542      1.00000
     32     -14.2135      1.00000
     33     -13.8908      1.00000
     34     -13.8857      1.00000
     35     -13.7518      1.00000
     36     -13.7317      1.00000
     37     -13.5470      1.00000
     38     -13.4990      1.00000
     39     -13.2951      1.00000
     40     -12.5596      1.00000
     41     -12.1204      1.00000
     42     -12.0620      1.00000
     43     -12.0051      1.00000
     44     -11.9471      1.00000
     45     -11.6063      1.00000
     46     -11.5839      1.00000
     47     -11.0805      1.00000
     48     -11.0479      1.00000
     49     -10.7475      1.00000
     50     -10.6597      1.00000
     51     -10.5197      1.00000
     52     -10.1441      1.00000
     53     -10.1341      1.00000
     54     -10.0928      1.00000
     55      -9.9488      1.00000
     56      -9.9436      1.00000
     57      -9.9131      1.00000
     58      -9.7333      1.00000
     59      -9.7267      1.00000
     60      -9.6966      1.00000
     61      -9.6865      1.00000
     62      -9.4240      1.00000
     63      -9.3590      1.00000
     64      -9.0811      1.00000
     65      -9.0023      1.00000
     66      -8.9704      1.00000
     67      -8.8840      1.00000
     68      -8.8080      1.00000
     69      -8.6533      1.00000
     70      -8.6306      1.00000
     71      -8.5735      1.00000
     72      -8.4741      1.00000
     73      -8.4634      1.00000
     74      -8.3938      1.00000
     75      -8.3902      1.00000
     76      -8.1805      1.00000
     77      -8.1099      1.00000
     78      -7.9742      1.00000
     79      -7.9112      1.00000
     80      -7.8426      1.00000
     81      -7.6134      1.00000
     82      -7.5275      1.00000
     83      -7.4653      1.00000
     84      -7.2663      1.00000
     85      -6.9302      1.00000
     86      -6.8538      1.00000
     87      -6.8073      1.00000
     88      -6.5689      1.00000
     89      -6.4624      1.00000
     90      -6.4167      1.00000
     91      -6.3539      1.00000
     92      -6.0472      1.00000
     93      -5.8737      1.00000
     94      -5.7496      1.00000
     95      -5.7187      1.00000
     96      -5.4724      1.00000
     97      -5.3422      1.00000
     98      -5.1772      1.00000
     99      -5.1531      1.00000
    100      -5.1517      1.00000
    101      -4.7038      1.00000
    102      -4.4401      1.00000
    103      -4.2516      1.00000
    104      -3.9931      1.00000
    105      -3.8199      1.00000
    106      -3.1547      1.00000
    107      -2.4611      0.00000
    108      -1.3765      0.00000
    109      -1.2391      0.00000
    110      -1.1444      0.00000
    111      -1.1126      0.00000
    112      -0.5630      0.00000
    113      -0.4327      0.00000
    114      -0.4285      0.00000
    115      -0.3084      0.00000
    116      -0.1890      0.00000
    117       0.0640      0.00000
    118       0.1174      0.00000
    119       0.5418      0.00000
    120       0.6857      0.00000
    121       0.8766      0.00000
    122       0.9742      0.00000
    123       1.1159      0.00000
    124       1.5001      0.00000
    125       1.6685      0.00000
    126       1.8174      0.00000
    127       1.8826      0.00000
    128       2.0807      0.00000
    129       2.1055      0.00000
    130       2.1650      0.00000
    131       2.2157      0.00000
    132       2.3273      0.00000
    133       2.3422      0.00000
    134       2.4799      0.00000
    135       2.5615      0.00000
    136       2.6785      0.00000
    137       2.8857      0.00000
    138       2.9395      0.00000
    139       2.9692      0.00000
    140       2.9803      0.00000
    141       3.0387      0.00000
    142       3.1370      0.00000
    143       3.1579      0.00000
    144       3.2377      0.00000
    145       3.2975      0.00000
    146       3.3375      0.00000
    147       3.3528      0.00000
    148       3.3844      0.00000
    149       3.4052      0.00000
    150       3.5023      0.00000
    151       3.5495      0.00000
    152       3.6140      0.00000
    153       3.6484      0.00000
    154       3.6934      0.00000
    155       3.7154      0.00000
    156       3.9209      0.00000
    157       3.9308      0.00000
    158       4.0638      0.00000
    159       4.1016      0.00000
    160       4.2088      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2428      1.00000
      2     -21.8901      1.00000
      3     -21.8170      1.00000
      4     -21.3114      1.00000
      5     -21.2728      1.00000
      6     -20.7667      1.00000
      7     -20.6981      1.00000
      8     -20.5499      1.00000
      9     -20.0180      1.00000
     10     -19.9859      1.00000
     11     -19.6456      1.00000
     12     -19.6148      1.00000
     13     -18.9386      1.00000
     14     -18.9042      1.00000
     15     -18.5791      1.00000
     16     -18.5423      1.00000
     17     -18.3876      1.00000
     18     -17.5972      1.00000
     19     -17.5663      1.00000
     20     -17.5369      1.00000
     21     -17.5042      1.00000
     22     -17.0697      1.00000
     23     -17.0234      1.00000
     24     -16.8957      1.00000
     25     -15.9411      1.00000
     26     -15.8465      1.00000
     27     -15.5284      1.00000
     28     -15.5022      1.00000
     29     -15.2050      1.00000
     30     -14.8090      1.00000
     31     -14.7572      1.00000
     32     -14.5051      1.00000
     33     -14.4636      1.00000
     34     -14.0917      1.00000
     35     -14.0886      1.00000
     36     -13.1002      1.00000
     37     -13.0248      1.00000
     38     -12.9524      1.00000
     39     -12.9453      1.00000
     40     -12.6512      1.00000
     41     -12.6232      1.00000
     42     -12.2694      1.00000
     43     -12.2423      1.00000
     44     -11.5684      1.00000
     45     -11.5492      1.00000
     46     -11.4960      1.00000
     47     -10.8732      1.00000
     48     -10.8638      1.00000
     49     -10.6752      1.00000
     50     -10.5212      1.00000
     51     -10.5153      1.00000
     52     -10.4289      1.00000
     53     -10.4116      1.00000
     54     -10.3660      1.00000
     55     -10.2836      1.00000
     56     -10.0564      1.00000
     57      -9.8287      1.00000
     58      -9.5541      1.00000
     59      -9.4803      1.00000
     60      -9.4396      1.00000
     61      -9.3509      1.00000
     62      -9.3349      1.00000
     63      -9.3036      1.00000
     64      -9.2982      1.00000
     65      -9.2025      1.00000
     66      -9.0951      1.00000
     67      -9.0643      1.00000
     68      -9.0448      1.00000
     69      -8.8460      1.00000
     70      -8.7921      1.00000
     71      -8.7737      1.00000
     72      -8.5235      1.00000
     73      -8.4922      1.00000
     74      -8.2220      1.00000
     75      -8.1250      1.00000
     76      -8.0886      1.00000
     77      -7.8026      1.00000
     78      -7.7633      1.00000
     79      -7.7364      1.00000
     80      -7.6992      1.00000
     81      -7.6315      1.00000
     82      -7.6206      1.00000
     83      -7.3873      1.00000
     84      -7.3423      1.00000
     85      -7.2242      1.00000
     86      -6.8394      1.00000
     87      -6.8167      1.00000
     88      -6.6349      1.00000
     89      -6.5264      1.00000
     90      -6.3375      1.00000
     91      -6.2690      1.00000
     92      -6.1922      1.00000
     93      -6.1279      1.00000
     94      -6.0169      1.00000
     95      -5.6310      1.00000
     96      -5.5050      1.00000
     97      -5.2946      1.00000
     98      -5.1531      1.00000
     99      -5.0363      1.00000
    100      -4.7223      1.00000
    101      -4.6828      1.00000
    102      -4.3668      1.00000
    103      -4.1823      1.00000
    104      -4.0060      1.00000
    105      -3.8194      1.00000
    106      -3.4823      1.00000
    107      -2.1627      0.00000
    108      -1.3810      0.00000
    109      -1.2337      0.00000
    110      -1.1835      0.00000
    111      -1.0120      0.00000
    112      -0.9538      0.00000
    113      -0.7954      0.00000
    114      -0.7503      0.00000
    115      -0.3666      0.00000
    116       0.2470      0.00000
    117       0.2784      0.00000
    118       0.3655      0.00000
    119       0.7060      0.00000
    120       0.8705      0.00000
    121       0.9677      0.00000
    122       1.1302      0.00000
    123       1.2416      0.00000
    124       1.4581      0.00000
    125       1.5686      0.00000
    126       1.7816      0.00000
    127       1.8469      0.00000
    128       1.8715      0.00000
    129       1.9926      0.00000
    130       2.0284      0.00000
    131       2.1784      0.00000
    132       2.2239      0.00000
    133       2.3951      0.00000
    134       2.4117      0.00000
    135       2.5097      0.00000
    136       2.6607      0.00000
    137       2.6861      0.00000
    138       2.7359      0.00000
    139       2.7670      0.00000
    140       2.8610      0.00000
    141       2.9761      0.00000
    142       3.0795      0.00000
    143       3.1531      0.00000
    144       3.2022      0.00000
    145       3.2516      0.00000
    146       3.2802      0.00000
    147       3.3207      0.00000
    148       3.4814      0.00000
    149       3.5213      0.00000
    150       3.7043      0.00000
    151       3.7294      0.00000
    152       3.7717      0.00000
    153       3.8575      0.00000
    154       3.8706      0.00000
    155       3.8969      0.00000
    156       3.9615      0.00000
    157       3.9982      0.00000
    158       4.0237      0.00000
    159       4.0382      0.00000
    160       4.0871      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3149      1.00000
      2     -21.7566      1.00000
      3     -21.5630      1.00000
      4     -21.5361      1.00000
      5     -21.2001      1.00000
      6     -21.1617      1.00000
      7     -20.9812      1.00000
      8     -20.0938      1.00000
      9     -20.0555      1.00000
     10     -19.5416      1.00000
     11     -19.5216      1.00000
     12     -19.3404      1.00000
     13     -19.0233      1.00000
     14     -18.9838      1.00000
     15     -18.9729      1.00000
     16     -18.9674      1.00000
     17     -18.2914      1.00000
     18     -18.2780      1.00000
     19     -17.9420      1.00000
     20     -16.9958      1.00000
     21     -16.9556      1.00000
     22     -16.8782      1.00000
     23     -16.8656      1.00000
     24     -16.4115      1.00000
     25     -16.3890      1.00000
     26     -15.5362      1.00000
     27     -15.5329      1.00000
     28     -15.1686      1.00000
     29     -15.1670      1.00000
     30     -15.1264      1.00000
     31     -15.0321      1.00000
     32     -14.9966      1.00000
     33     -14.6289      1.00000
     34     -14.6220      1.00000
     35     -13.6583      1.00000
     36     -13.6486      1.00000
     37     -13.1667      1.00000
     38     -12.5685      1.00000
     39     -12.5090      1.00000
     40     -12.3811      1.00000
     41     -12.3805      1.00000
     42     -12.0311      1.00000
     43     -12.0272      1.00000
     44     -11.6500      1.00000
     45     -11.6102      1.00000
     46     -11.2016      1.00000
     47     -11.1526      1.00000
     48     -10.9505      1.00000
     49     -10.9379      1.00000
     50     -10.8557      1.00000
     51     -10.8238      1.00000
     52     -10.6187      1.00000
     53     -10.1414      1.00000
     54     -10.0799      1.00000
     55     -10.0210      1.00000
     56      -9.9412      1.00000
     57      -9.6272      1.00000
     58      -9.6250      1.00000
     59      -9.5991      1.00000
     60      -9.5363      1.00000
     61      -9.4995      1.00000
     62      -9.4756      1.00000
     63      -9.2680      1.00000
     64      -9.2311      1.00000
     65      -9.2031      1.00000
     66      -9.1750      1.00000
     67      -9.0590      1.00000
     68      -9.0427      1.00000
     69      -9.0393      1.00000
     70      -8.8737      1.00000
     71      -8.8040      1.00000
     72      -8.5302      1.00000
     73      -8.5284      1.00000
     74      -8.4945      1.00000
     75      -8.0271      1.00000
     76      -7.8282      1.00000
     77      -7.7956      1.00000
     78      -7.7706      1.00000
     79      -7.6994      1.00000
     80      -7.6801      1.00000
     81      -7.4178      1.00000
     82      -7.2841      1.00000
     83      -7.2476      1.00000
     84      -7.1994      1.00000
     85      -7.0774      1.00000
     86      -7.0770      1.00000
     87      -6.9343      1.00000
     88      -6.7073      1.00000
     89      -6.6706      1.00000
     90      -6.6264      1.00000
     91      -6.5548      1.00000
     92      -6.0677      1.00000
     93      -6.0278      1.00000
     94      -5.9970      1.00000
     95      -5.9344      1.00000
     96      -5.7958      1.00000
     97      -5.1750      1.00000
     98      -4.8901      1.00000
     99      -4.7897      1.00000
    100      -4.6083      1.00000
    101      -4.5104      1.00000
    102      -4.1366      1.00000
    103      -4.0899      1.00000
    104      -3.9294      1.00000
    105      -3.9142      1.00000
    106      -3.8188      1.00000
    107      -1.7497      0.00000
    108      -1.6945      0.00000
    109      -1.4079      0.00000
    110      -1.3695      0.00000
    111      -1.2627      0.00000
    112      -1.2334      0.00000
    113      -0.6238      0.00000
    114      -0.5966      0.00000
    115      -0.1880      0.00000
    116       0.0423      0.00000
    117       0.5893      0.00000
    118       0.7440      0.00000
    119       0.8510      0.00000
    120       0.9292      0.00000
    121       1.1696      0.00000
    122       1.2147      0.00000
    123       1.2487      0.00000
    124       1.4273      0.00000
    125       1.5997      0.00000
    126       1.6439      0.00000
    127       1.7129      0.00000
    128       1.7783      0.00000
    129       1.9198      0.00000
    130       1.9418      0.00000
    131       2.1432      0.00000
    132       2.1819      0.00000
    133       2.2622      0.00000
    134       2.3083      0.00000
    135       2.5516      0.00000
    136       2.5743      0.00000
    137       2.5882      0.00000
    138       2.7589      0.00000
    139       2.7861      0.00000
    140       2.7980      0.00000
    141       2.8953      0.00000
    142       2.9151      0.00000
    143       3.0187      0.00000
    144       3.0398      0.00000
    145       3.1006      0.00000
    146       3.2897      0.00000
    147       3.3198      0.00000
    148       3.3834      0.00000
    149       3.4738      0.00000
    150       3.5747      0.00000
    151       3.6348      0.00000
    152       3.6485      0.00000
    153       3.6785      0.00000
    154       3.8887      0.00000
    155       3.9664      0.00000
    156       4.0114      0.00000
    157       4.0821      0.00000
    158       4.2274      0.00000
    159       4.2543      0.00000
    160       4.2597      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1359      1.00000
      2     -22.0436      1.00000
      3     -21.8815      1.00000
      4     -21.3308      1.00000
      5     -20.9719      1.00000
      6     -20.9428      1.00000
      7     -20.4233      1.00000
      8     -20.3915      1.00000
      9     -20.2119      1.00000
     10     -20.2093      1.00000
     11     -19.8832      1.00000
     12     -19.8195      1.00000
     13     -18.8131      1.00000
     14     -18.7424      1.00000
     15     -18.2615      1.00000
     16     -18.2472      1.00000
     17     -18.0762      1.00000
     18     -18.0690      1.00000
     19     -17.7417      1.00000
     20     -17.7257      1.00000
     21     -17.1908      1.00000
     22     -17.1670      1.00000
     23     -17.0849      1.00000
     24     -17.0637      1.00000
     25     -16.0493      1.00000
     26     -15.8039      1.00000
     27     -15.7944      1.00000
     28     -15.7733      1.00000
     29     -15.1552      1.00000
     30     -14.4809      1.00000
     31     -14.4599      1.00000
     32     -14.2002      1.00000
     33     -13.9120      1.00000
     34     -13.8825      1.00000
     35     -13.7549      1.00000
     36     -13.7346      1.00000
     37     -13.5322      1.00000
     38     -13.5058      1.00000
     39     -13.2966      1.00000
     40     -12.5718      1.00000
     41     -12.0972      1.00000
     42     -12.0726      1.00000
     43     -11.9940      1.00000
     44     -11.9461      1.00000
     45     -11.6015      1.00000
     46     -11.5938      1.00000
     47     -11.0803      1.00000
     48     -11.0564      1.00000
     49     -10.7273      1.00000
     50     -10.6598      1.00000
     51     -10.5516      1.00000
     52     -10.1354      1.00000
     53     -10.1311      1.00000
     54     -10.0974      1.00000
     55      -9.9622      1.00000
     56      -9.9212      1.00000
     57      -9.9179      1.00000
     58      -9.7467      1.00000
     59      -9.7249      1.00000
     60      -9.6934      1.00000
     61      -9.6902      1.00000
     62      -9.3965      1.00000
     63      -9.3846      1.00000
     64      -9.0642      1.00000
     65      -8.9779      1.00000
     66      -8.9775      1.00000
     67      -8.9015      1.00000
     68      -8.8088      1.00000
     69      -8.6458      1.00000
     70      -8.6293      1.00000
     71      -8.5432      1.00000
     72      -8.4970      1.00000
     73      -8.4785      1.00000
     74      -8.3898      1.00000
     75      -8.3788      1.00000
     76      -8.2058      1.00000
     77      -8.0980      1.00000
     78      -8.0033      1.00000
     79      -7.8981      1.00000
     80      -7.8394      1.00000
     81      -7.6192      1.00000
     82      -7.5302      1.00000
     83      -7.4525      1.00000
     84      -7.2621      1.00000
     85      -6.9385      1.00000
     86      -6.8653      1.00000
     87      -6.8063      1.00000
     88      -6.4751      1.00000
     89      -6.4646      1.00000
     90      -6.4052      1.00000
     91      -6.3566      1.00000
     92      -6.1818      1.00000
     93      -5.8552      1.00000
     94      -5.7347      1.00000
     95      -5.7082      1.00000
     96      -5.5184      1.00000
     97      -5.3261      1.00000
     98      -5.1694      1.00000
     99      -5.1645      1.00000
    100      -5.1310      1.00000
    101      -4.6935      1.00000
    102      -4.3478      1.00000
    103      -4.2763      1.00000
    104      -4.0255      1.00000
    105      -3.8208      1.00000
    106      -3.2309      1.00000
    107      -2.4038      0.00000
    108      -1.3430      0.00000
    109      -1.2418      0.00000
    110      -1.1521      0.00000
    111      -1.1061      0.00000
    112      -0.5822      0.00000
    113      -0.5196      0.00000
    114      -0.4320      0.00000
    115      -0.2726      0.00000
    116      -0.0705      0.00000
    117      -0.0098      0.00000
    118       0.0616      0.00000
    119       0.5855      0.00000
    120       0.7122      0.00000
    121       0.8149      0.00000
    122       0.9487      0.00000
    123       1.1885      0.00000
    124       1.5210      0.00000
    125       1.6227      0.00000
    126       1.8693      0.00000
    127       2.0113      0.00000
    128       2.0521      0.00000
    129       2.0888      0.00000
    130       2.1242      0.00000
    131       2.2261      0.00000
    132       2.2873      0.00000
    133       2.3392      0.00000
    134       2.4289      0.00000
    135       2.6063      0.00000
    136       2.7076      0.00000
    137       2.8333      0.00000
    138       2.9164      0.00000
    139       2.9431      0.00000
    140       3.0003      0.00000
    141       3.0438      0.00000
    142       3.1244      0.00000
    143       3.1668      0.00000
    144       3.2127      0.00000
    145       3.3053      0.00000
    146       3.3147      0.00000
    147       3.3576      0.00000
    148       3.3769      0.00000
    149       3.4247      0.00000
    150       3.4384      0.00000
    151       3.5515      0.00000
    152       3.6025      0.00000
    153       3.6527      0.00000
    154       3.6923      0.00000
    155       3.8593      0.00000
    156       3.8927      0.00000
    157       3.9394      0.00000
    158       3.9591      0.00000
    159       4.1616      0.00000
    160       4.1937      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2088      1.00000
      2     -22.0037      1.00000
      3     -21.6416      1.00000
      4     -21.6107      1.00000
      5     -20.9051      1.00000
      6     -20.8649      1.00000
      7     -20.5346      1.00000
      8     -20.5023      1.00000
      9     -20.4956      1.00000
     10     -19.9580      1.00000
     11     -19.4365      1.00000
     12     -19.4145      1.00000
     13     -19.2354      1.00000
     14     -19.2285      1.00000
     15     -18.3717      1.00000
     16     -18.3370      1.00000
     17     -17.8545      1.00000
     18     -17.8385      1.00000
     19     -17.6869      1.00000
     20     -17.6515      1.00000
     21     -17.3679      1.00000
     22     -17.3539      1.00000
     23     -17.2634      1.00000
     24     -16.4091      1.00000
     25     -16.3858      1.00000
     26     -15.9002      1.00000
     27     -15.3391      1.00000
     28     -15.3342      1.00000
     29     -15.0267      1.00000
     30     -15.0171      1.00000
     31     -14.7725      1.00000
     32     -14.7702      1.00000
     33     -14.2334      1.00000
     34     -14.1829      1.00000
     35     -13.3835      1.00000
     36     -13.3293      1.00000
     37     -13.1068      1.00000
     38     -13.0989      1.00000
     39     -12.9132      1.00000
     40     -12.9077      1.00000
     41     -12.5412      1.00000
     42     -12.5336      1.00000
     43     -12.1294      1.00000
     44     -11.5090      1.00000
     45     -11.4650      1.00000
     46     -11.2399      1.00000
     47     -11.2088      1.00000
     48     -11.0822      1.00000
     49     -10.6993      1.00000
     50     -10.5911      1.00000
     51     -10.5041      1.00000
     52     -10.2474      1.00000
     53     -10.2433      1.00000
     54     -10.1175      1.00000
     55     -10.0496      1.00000
     56     -10.0354      1.00000
     57      -9.7806      1.00000
     58      -9.6828      1.00000
     59      -9.6697      1.00000
     60      -9.6337      1.00000
     61      -9.6239      1.00000
     62      -9.5828      1.00000
     63      -9.2913      1.00000
     64      -9.2795      1.00000
     65      -9.2485      1.00000
     66      -9.0594      1.00000
     67      -8.8907      1.00000
     68      -8.8798      1.00000
     69      -8.7156      1.00000
     70      -8.5764      1.00000
     71      -8.5217      1.00000
     72      -8.3470      1.00000
     73      -8.3014      1.00000
     74      -8.2395      1.00000
     75      -8.2339      1.00000
     76      -8.1903      1.00000
     77      -8.1780      1.00000
     78      -8.1652      1.00000
     79      -8.1028      1.00000
     80      -7.6862      1.00000
     81      -7.4227      1.00000
     82      -7.3397      1.00000
     83      -7.2563      1.00000
     84      -7.1650      1.00000
     85      -7.1072      1.00000
     86      -7.0037      1.00000
     87      -6.9006      1.00000
     88      -6.8466      1.00000
     89      -6.5379      1.00000
     90      -6.4948      1.00000
     91      -6.2046      1.00000
     92      -6.1974      1.00000
     93      -5.8917      1.00000
     94      -5.6698      1.00000
     95      -5.6029      1.00000
     96      -5.5772      1.00000
     97      -5.2504      1.00000
     98      -5.2283      1.00000
     99      -5.1619      1.00000
    100      -5.1319      1.00000
    101      -4.5979      1.00000
    102      -4.2468      1.00000
    103      -4.0418      1.00000
    104      -3.8820      1.00000
    105      -3.8353      1.00000
    106      -3.7973      1.00000
    107      -1.8060      0.00000
    108      -1.7793      0.00000
    109      -1.2230      0.00000
    110      -1.1734      0.00000
    111      -0.9722      0.00000
    112      -0.7326      0.00000
    113      -0.6482      0.00000
    114      -0.5921      0.00000
    115      -0.5473      0.00000
    116      -0.1543      0.00000
    117       0.1777      0.00000
    118       0.2901      0.00000
    119       0.7112      0.00000
    120       0.9538      0.00000
    121       1.1721      0.00000
    122       1.2795      0.00000
    123       1.3487      0.00000
    124       1.5194      0.00000
    125       1.6144      0.00000
    126       1.6336      0.00000
    127       1.6958      0.00000
    128       1.7731      0.00000
    129       1.8656      0.00000
    130       2.0383      0.00000
    131       2.1529      0.00000
    132       2.2863      0.00000
    133       2.4067      0.00000
    134       2.4186      0.00000
    135       2.5644      0.00000
    136       2.6331      0.00000
    137       2.6891      0.00000
    138       2.6959      0.00000
    139       2.7666      0.00000
    140       2.9039      0.00000
    141       3.0452      0.00000
    142       3.0688      0.00000
    143       3.1887      0.00000
    144       3.2822      0.00000
    145       3.3916      0.00000
    146       3.4091      0.00000
    147       3.4585      0.00000
    148       3.5371      0.00000
    149       3.5694      0.00000
    150       3.6367      0.00000
    151       3.6642      0.00000
    152       3.7026      0.00000
    153       3.7487      0.00000
    154       3.7488      0.00000
    155       3.8311      0.00000
    156       3.9013      0.00000
    157       3.9028      0.00000
    158       3.9686      0.00000
    159       4.1891      0.00000
    160       4.2276      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0409   -7.2595    3.9839   -1.1313   -0.1847   17.3738    0.4910   -0.8149    0.7705   -0.4760
x    -3.1259   -0.0251   -0.0204   -0.0265    0.0911   -3.0542    0.0306   -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   204.0409    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     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   -0.0313    0.0615    0.0186
y     0.0228   -3.2423   -0.1795    0.1690   -2.4146   -0.6652
z   204.0409    1.7438    0.2927    0.0887    0.0006    0.0706   -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    0.0985    0.0006   -0.0010   -0.0001   -0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0012   -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  -16.5838
z     0.1474    0.2355   -0.0302    0.0569   -0.0952    0.0006
 total charge-density along one line
x   212.0000  -10.0895    5.9300   -1.9400   -0.4203   19.2922   -0.6587    0.2078    0.0650   -0.1050
x    -2.7067   -0.0088    0.0020   -0.0457    0.0973   -2.3456    0.0479   -0.0343    0.0116    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  -10.0895    5.9300   -1.9400   -0.4203   19.2922   -0.6587    0.2078    0.0650   -0.1050
y    -2.7067   -0.0088    0.0020   -0.0457    0.0973   -2.3456    0.0479   -0.0343    0.0116    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 -205.3212  188.9027 -170.1687  154.0186 -140.2768  126.3470 -110.8674   94.6014  -78.9405
z    64.5883  -51.6742   40.4496  -31.3866   24.6438  -19.7146   15.7397  -12.1311    8.8556   -6.1814
z     4.2521   -2.9245    1.9374   -1.1401    0.5350   -0.1517   -0.0622    0.2146   -0.3696    0.5028
z    -0.5563    0.5168   -0.4330    0.3655   -0.3341    0.3162   -0.2846    0.2367   -0.1898    0.1565
z    -0.1346    0.1143   -0.0918    0.0713   -0.0575    0.0499   -0.0440    0.0369   -0.0295    0.0239
z    -0.0208    0.0186   -0.0159    0.0129   -0.0103    0.0084   -0.0068    0.0053   -0.0039    0.0028
z    -0.0020    0.0012   -0.0004   -0.0002    0.0004   -0.0004    0.0004   -0.0006    0.0007   -0.0006
z     0.0004   -0.0002    0.0001    0.0000    0.0000    0.0001   -0.0002    0.0003   -0.0003    0.0003
z    -0.0002    0.0002   -0.0002    0.0001   -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0000   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.938   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 -11.241   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   0.002
  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 -11.241   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   0.002
  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   1.586   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   0.293   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   0.331   0.000   0.109   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  -0.289   0.000   0.089   0.000   0.000
  0.000   0.262   0.000   0.293   0.000   0.000   0.109   0.000   0.205   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   0.698   0.000  -0.111   1.353  -0.431   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  -0.431   0.190   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   0.043   0.000   0.012  -0.004
  0.000   0.000   0.097   0.000   0.003   0.116   0.000   0.089   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  -0.018   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  -0.006   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   8.028   8.942
  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   1.782   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        0.863   1.782   0.000   2.646
 14        0.864   1.783   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        0.863   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   2.629
 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        0.863   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  89.421   8.028 142.280
 


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


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


    CHARGE:  VPU time  113.19: CPU time   57.16
    FORLOC:  VPU time    1.24: CPU time    1.24
    FORNL :  VPU time  440.59: CPU time  221.42
    STRESS:  VPU time 1340.65: CPU time  675.48
    FORCOR:  VPU time    8.65: CPU time    8.65
    FORHAR:  VPU time    2.29: CPU time    2.29
    MIXING:  VPU time    0.17: CPU time    0.16
 d Force =-0.2977982E-04[-0.895E-04, 0.300E-04]  d Energy = 0.5582146E-05-0.354E-04
 d Force = 0.2110064E+01[ 0.211E+01, 0.211E+01]  d Ewald  = 0.1514691E+02-0.130E+02


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.645182 eV

  energy  without entropy=     -471.645182  energy(sigma->0) =     -471.645182
 

  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    40710.64  40726.91 -47410.26     14.09      0.00      0.00
  Hartree  40176.32  40179.57 -39429.16      2.82      0.00      0.00
  E(xc)     -779.73   -779.54   -807.27      0.17      0.00      0.00
  Local   -83180.13 -83193.45  84156.65    -11.53      0.00      0.00
  n-local   -215.76   -215.68   -203.81     -0.18      0.00      0.00
  augment     22.11     20.53     17.37     -1.37      0.00      0.00
  Kinetic   3168.50   3171.17   3581.79     -6.15      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.34     -0.32     -0.75      0.02      0.00      0.00
  in kB       -0.21     -0.19     -0.45      0.01      0.00      0.00
  external pressure =       -0.29 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
    12.348109847  0.001493382  0.000000000     0.080978402  0.046739913  0.000000000
    -6.172768259 10.694519330  0.000000000    -0.000011308  0.093499312  0.000000000
     0.000000000  0.000000000 19.975281041     0.000000000  0.000000000  0.050061874

  length of vectors
    12.348109937 12.348109640 19.975281041     0.093499310  0.093499313  0.050061874


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.380E-05 -.459E-04 -.959E+03   0.428E-05 -.273E-04 0.967E+03   0.254E-20 0.146E-23 -.797E+01   -.104E-06 0.611E-07 0.223E-01
   -.176E+02 -.305E+02 -.136E+03   0.184E+02 0.320E+02 0.138E+03   -.833E+00 -.144E+01 -.259E+01   0.198E-04 0.332E-04 -.302E-02
   0.176E+02 0.305E+02 -.136E+03   -.184E+02 -.320E+02 0.138E+03   0.833E+00 0.144E+01 -.259E+01   -.198E-04 -.332E-04 -.302E-02
   -.197E+01 0.114E+01 0.181E+02   0.198E+01 -.114E+01 -.181E+02   -.812E-02 0.469E-02 -.110E-02   0.144E-02 -.837E-03 0.552E-02
   0.578E+01 0.685E+01 0.207E+02   -.578E+01 -.688E+01 -.206E+02   0.648E-02 0.330E-01 -.153E-01   -.129E-02 -.932E-04 0.432E-02
   0.112E+02 0.505E+01 0.185E+02   -.112E+02 -.506E+01 -.185E+02   0.257E-01 0.918E-02 -.526E-01   0.436E-04 -.293E-02 0.437E-03
   0.452E+01 -.987E+00 0.164E+02   -.455E+01 0.100E+01 -.164E+02   0.169E-01 -.189E-01 -.856E-03   -.288E-03 -.144E-02 0.167E-02
   -.291E+01 -.241E+01 0.153E+02   0.292E+01 0.243E+01 -.153E+02   -.150E-01 -.145E-01 0.144E-02   0.935E-03 0.121E-02 0.763E-03
   0.634E+00 0.373E+01 0.153E+02   -.642E+00 -.375E+01 -.153E+02   0.504E-02 0.203E-01 0.144E-02   -.587E-03 -.142E-02 0.759E-03
   0.271E+01 0.181E+02 0.248E+02   -.272E+01 -.182E+02 -.248E+02   0.102E-01 0.109E+00 -.900E-02   0.119E-02 -.472E-02 0.133E-02
   0.214E+02 0.225E+02 0.392E+02   -.215E+02 -.227E+02 -.392E+02   0.118E+00 0.228E+00 -.201E-01   -.164E-02 -.128E-02 0.112E-02
   0.264E+02 -.447E+01 0.264E+02   -.266E+02 0.458E+01 -.264E+02   0.238E+00 -.118E+00 -.595E-01   -.218E-02 0.490E-03 0.135E-02
   0.917E+01 -.530E+01 0.155E+02   -.919E+01 0.531E+01 -.155E+02   0.133E-01 -.769E-02 0.614E-02   -.389E-02 0.224E-02 0.128E-02
   0.312E+01 -.343E+01 0.164E+02   -.314E+01 0.344E+01 -.164E+02   0.248E-01 -.517E-02 -.856E-03   0.110E-02 0.964E-03 0.167E-02
   -.604E+01 0.131E+02 0.199E+02   0.605E+01 -.132E+02 -.198E+02   -.344E-02 0.760E-01 -.117E-01   0.298E-02 -.160E-02 0.746E-03
   -.122E+02 0.334E+02 0.453E+02   0.123E+02 -.340E+02 -.457E+02   -.933E-01 0.676E+00 0.348E+00   0.232E-02 -.711E-02 -.120E-02
   0.263E+02 -.152E+02 0.685E+02   -.272E+02 0.157E+02 -.706E+02   0.960E+00 -.555E+00 0.208E+01   -.651E-02 0.375E-02 -.131E-01
   0.171E+02 -.206E+02 0.264E+02   -.173E+02 0.208E+02 -.264E+02   0.222E+00 -.147E+00 -.595E-01   -.151E-02 0.163E-02 0.135E-02
   0.122E+01 -.122E+02 0.185E+02   -.123E+01 0.123E+02 -.185E+02   0.491E-02 -.269E-01 -.526E-01   0.256E-02 0.143E-02 0.431E-03
   -.388E+01 0.151E+01 0.145E+02   0.388E+01 -.151E+01 -.145E+02   -.869E-02 0.593E-02 -.418E-01   0.169E-02 0.251E-02 0.644E-03
   -.181E+02 0.105E+02 0.206E+02   0.182E+02 -.105E+02 -.204E+02   -.626E-01 0.361E-01 -.127E+00   0.135E-02 -.774E-03 0.203E-02
   -.350E+02 -.609E+01 0.453E+02   0.356E+02 0.635E+01 -.457E+02   -.632E+00 -.257E+00 0.348E+00   0.732E-02 0.155E-02 -.119E-02
   -.881E+01 -.298E+02 0.392E+02   0.894E+01 0.300E+02 -.392E+02   -.139E+00 -.216E+00 -.201E-01   0.291E-03 0.206E-02 0.112E-02
   -.305E+01 -.843E+01 0.207E+02   0.307E+01 0.845E+01 -.206E+02   -.253E-01 -.221E-01 -.153E-01   -.563E-03 0.116E-02 0.432E-02
   0.127E+01 -.731E+00 0.152E+02   -.127E+01 0.730E+00 -.152E+02   -.249E-02 0.144E-02 -.347E-01   -.197E-03 0.116E-03 0.255E-02
   -.325E+01 0.260E+01 0.145E+02   0.325E+01 -.260E+01 -.145E+02   -.948E-02 0.456E-02 -.418E-01   -.133E-02 -.271E-02 0.649E-03
   -.144E+02 -.134E+01 0.199E+02   0.145E+02 0.137E+01 -.198E+02   -.675E-01 -.350E-01 -.117E-01   0.288E-02 -.178E-02 0.754E-03
   -.144E+02 -.114E+02 0.248E+02   0.144E+02 0.115E+02 -.248E+02   -.892E-01 -.633E-01 -.900E-02   0.468E-02 0.132E-02 0.133E-02
   0.305E+01 0.843E+01 0.207E+02   -.307E+01 -.845E+01 -.206E+02   0.253E-01 0.221E-01 -.153E-01   0.563E-03 -.116E-02 0.432E-02
   0.144E+02 0.114E+02 0.248E+02   -.144E+02 -.115E+02 -.248E+02   0.892E-01 0.633E-01 -.900E-02   -.468E-02 -.132E-02 0.133E-02
   0.144E+02 0.134E+01 0.199E+02   -.145E+02 -.137E+01 -.198E+02   0.675E-01 0.350E-01 -.117E-01   -.288E-02 0.178E-02 0.754E-03
   0.325E+01 -.260E+01 0.145E+02   -.325E+01 0.260E+01 -.145E+02   0.948E-02 -.456E-02 -.418E-01   0.133E-02 0.271E-02 0.649E-03
   -.127E+01 0.731E+00 0.152E+02   0.127E+01 -.730E+00 -.152E+02   0.249E-02 -.144E-02 -.347E-01   0.197E-03 -.116E-03 0.255E-02
   -.122E+01 0.122E+02 0.185E+02   0.123E+01 -.123E+02 -.185E+02   -.491E-02 0.269E-01 -.526E-01   -.256E-02 -.143E-02 0.431E-03
   0.881E+01 0.298E+02 0.392E+02   -.894E+01 -.300E+02 -.392E+02   0.139E+00 0.216E+00 -.201E-01   -.292E-03 -.206E-02 0.112E-02
   0.350E+02 0.609E+01 0.453E+02   -.356E+02 -.635E+01 -.457E+02   0.632E+00 0.257E+00 0.348E+00   -.732E-02 -.155E-02 -.119E-02
   0.181E+02 -.105E+02 0.206E+02   -.182E+02 0.105E+02 -.204E+02   0.626E-01 -.361E-01 -.127E+00   -.135E-02 0.774E-03 0.203E-02
   0.388E+01 -.151E+01 0.145E+02   -.388E+01 0.151E+01 -.145E+02   0.869E-02 -.593E-02 -.418E-01   -.169E-02 -.251E-02 0.644E-03
   -.312E+01 0.343E+01 0.164E+02   0.314E+01 -.344E+01 -.164E+02   -.248E-01 0.517E-02 -.856E-03   -.110E-02 -.964E-03 0.167E-02
   -.171E+02 0.206E+02 0.264E+02   0.173E+02 -.208E+02 -.264E+02   -.222E+00 0.147E+00 -.595E-01   0.151E-02 -.163E-02 0.135E-02
   -.263E+02 0.152E+02 0.685E+02   0.272E+02 -.157E+02 -.706E+02   -.960E+00 0.555E+00 0.208E+01   0.651E-02 -.375E-02 -.131E-01
   0.122E+02 -.334E+02 0.453E+02   -.123E+02 0.340E+02 -.457E+02   0.933E-01 -.676E+00 0.348E+00   -.232E-02 0.711E-02 -.120E-02
   0.604E+01 -.131E+02 0.199E+02   -.605E+01 0.132E+02 -.198E+02   0.344E-02 -.760E-01 -.117E-01   -.298E-02 0.160E-02 0.746E-03
   -.634E+00 -.373E+01 0.153E+02   0.642E+00 0.375E+01 -.153E+02   -.504E-02 -.203E-01 0.144E-02   0.587E-03 0.142E-02 0.759E-03
   -.917E+01 0.530E+01 0.155E+02   0.919E+01 -.531E+01 -.155E+02   -.133E-01 0.769E-02 0.614E-02   0.389E-02 -.224E-02 0.128E-02
   -.264E+02 0.447E+01 0.264E+02   0.266E+02 -.458E+01 -.264E+02   -.238E+00 0.118E+00 -.595E-01   0.218E-02 -.490E-03 0.135E-02
   -.214E+02 -.225E+02 0.392E+02   0.215E+02 0.227E+02 -.392E+02   -.118E+00 -.228E+00 -.201E-01   0.164E-02 0.128E-02 0.112E-02
   -.271E+01 -.181E+02 0.248E+02   0.272E+01 0.182E+02 -.248E+02   -.102E-01 -.109E+00 -.900E-02   -.119E-02 0.472E-02 0.133E-02
   0.197E+01 -.114E+01 0.181E+02   -.198E+01 0.114E+01 -.181E+02   0.812E-02 -.469E-02 -.110E-02   -.144E-02 0.837E-03 0.552E-02
   0.291E+01 0.241E+01 0.153E+02   -.292E+01 -.243E+01 -.153E+02   0.150E-01 0.145E-01 0.144E-02   -.935E-03 -.121E-02 0.763E-03
   -.452E+01 0.987E+00 0.164E+02   0.455E+01 -.100E+01 -.164E+02   -.169E-01 0.189E-01 -.856E-03   0.288E-03 0.144E-02 0.168E-02
   -.112E+02 -.505E+01 0.185E+02   0.112E+02 0.506E+01 -.185E+02   -.257E-01 -.918E-02 -.526E-01   -.436E-04 0.293E-02 0.437E-03
   -.578E+01 -.685E+01 0.207E+02   0.578E+01 0.688E+01 -.206E+02   -.648E-02 -.330E-01 -.153E-01   0.129E-02 0.932E-04 0.432E-02
 -----------------------------------------------------------------------------------------------
   -.183E-02 0.313E-03 0.866E+01   0.657E-13 -.263E-12 -.995E-13   0.572E-16 -.118E-15 -.874E+01   -.149E-06 0.813E-07 0.576E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85295      6.06088     12.32565         0.000000      0.000000     -0.059483
      2.26178      6.76900     13.64170         0.008008      0.013870      0.020044
      1.44411      5.35275     13.64170        -0.008008     -0.013870      0.020044
      0.00053     -0.00030      9.93464         0.001844     -0.001065     -0.000365
     11.11278      2.13926      9.93703         0.000621      0.000172      0.000775
      9.87718      4.27889      9.95204         0.002307     -0.002300      0.001274
      8.64382      6.41829      9.95204        -0.006791     -0.004946      0.001201
     -4.93661      8.55565      9.94590        -0.002361      0.002785     -0.000562
      2.47040     -0.00111      9.94590        -0.003592      0.000652     -0.000562
      1.23475      2.13621      9.95152         0.002076     -0.003710     -0.000949
     -0.00400      4.27495      9.98292         0.001925      0.003460     -0.002046
     -1.23856      6.41613      9.98935         0.005278     -0.000991     -0.001171
     -2.46723      8.55513      9.96028        -0.009694      0.005597      0.000937
      4.93886      0.00111      9.95204         0.000888      0.008354      0.001201
      3.70499      2.13655      9.96066         0.003828      0.001074     -0.000486
      2.47080      4.26330     10.02753        -0.001694     -0.001876      0.003578
      1.22853      6.42138     10.09970        -0.004501      0.002599      0.009131
     -0.00047      8.56057      9.98935         0.003497     -0.004076     -0.001171
      7.40831      0.00268      9.95204         0.003145     -0.000848      0.001274
      6.17375      2.13993      9.95255        -0.003524      0.009690      0.000329
      4.94053      4.27826      9.98324         0.000700     -0.000404     -0.000632
      3.71862      6.42459     10.02753         0.000778      0.002405      0.003578
      2.47113      8.56200      9.98292        -0.002034     -0.003397     -0.002046
      9.87909      0.00243      9.93703         0.000162     -0.000624      0.000775
      8.64314      2.14056      9.94121        -0.001104      0.000638     -0.003258
      7.40899      4.27943      9.95255        -0.010154     -0.001793      0.000329
      6.17753      6.41913      9.96066         0.000984     -0.003852     -0.000486
      4.94270      8.55858      9.95152         0.004251      0.000057     -0.000949
     -0.00043      1.42480      9.93703        -0.000162      0.000624      0.000775
     -1.23681      3.56317      9.95152        -0.004251     -0.000057     -0.000949
     -2.47164      5.70262      9.96066        -0.000984      0.003852     -0.000486
     -3.70310      7.84232      9.95255         0.010154      0.001793      0.000329
     -4.93725      9.98119      9.94121         0.001104     -0.000638     -0.003258
      2.47035      1.42455      9.95204        -0.003145      0.000848      0.001274
      1.23476      3.55975      9.98292         0.002034      0.003397     -0.002046
     -0.01273      5.69716     10.02753        -0.000778     -0.002405      0.003578
     -1.23464      7.84349      9.98324        -0.000700      0.000404     -0.000632
     -2.46786      9.98182      9.95255         0.003524     -0.009690      0.000329
      4.93980      1.42612      9.95204        -0.000888     -0.008354      0.001201
      3.70636      3.56118      9.98935        -0.003497      0.004076     -0.001171
      2.47736      5.70037     10.09970         0.004501     -0.002599      0.009131
      1.23509      7.85845     10.02753         0.001694      0.001876      0.003578
      0.00091      9.98520      9.96066        -0.003828     -0.001074     -0.000486
      7.40826      1.42834      9.94590         0.003592     -0.000652     -0.000562
      6.17312      3.56662      9.96028         0.009694     -0.005597      0.000937
      4.94445      5.70562      9.98935        -0.005278      0.000991     -0.001171
      3.70989      7.84680      9.98292        -0.001925     -0.003460     -0.002046
      2.47114      9.98554      9.95152        -0.002076      0.003710     -0.000949
      9.87813      1.42753      9.93464        -0.001844      0.001065     -0.000365
      8.64250      3.56610      9.94590         0.002361     -0.002785     -0.000562
      7.41019      5.70496      9.95204         0.006791      0.004946      0.001201
      6.17682      7.84436      9.95204        -0.002307      0.002300      0.001274
      4.94122      9.98398      9.93703        -0.000621     -0.000172      0.000775
 -----------------------------------------------------------------------------------
    total drift:                               -0.001830      0.000313     -0.021472


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




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


    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  189.27: CPU time   94.85
     LOOP+:  VPU time 5744.61: CPU time 2963.08


----------------------------------------- Iteration   22(   1)  ---------------------------------------


    POTLOK:  VPU time    9.16: CPU time    9.15
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1778.80: CPU time  921.61
 BZINTS: Fermi energy: -3.152330;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   58.24
    MIXING:  VPU time    0.15: CPU time    0.14
    ------------------------------------------
      LOOP:  VPU time 1903.59: CPU time  989.52

 eigenvalue-minimisations  :  5920
 total energy-change (2. order) :-0.4716452E+03  (-0.1870299E-03)
 number of electron  212.0000065 magnetization    0.0000000
 augmentation part     7.9599368 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.68707E-03    rms(broyden)= 0.68661E-03
  rms(prec ) = 0.76745E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34031.25095059
  -1/2 Hartree   DENC   =    -40931.47274828
  -V(xc)+E(xc)   XCENC  =       726.58592848
  PAW double counting   =      4092.28037672    -4130.64987995
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.07963661
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64515546 eV

  energy without entropy =     -471.64515546  energy(sigma->0) =     -471.64515546


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




----------------------------------------- Iteration   22(   2)  ---------------------------------------


    POTLOK:  VPU time    9.13: CPU time    9.13
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1511.22: CPU time  781.92
 BZINTS: Fermi energy: -3.150958;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1520.76: CPU time  791.43

 eigenvalue-minimisations  :  4648
 total energy-change (2. order) :-0.3525038E-05  (-0.4347060E-05)
 number of electron  212.0000065 magnetization    0.0000000
 augmentation part     7.9599368 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34031.25095059
  -1/2 Hartree   DENC   =    -40931.44286908
  -V(xc)+E(xc)   XCENC  =       726.58616536
  PAW double counting   =      4092.33265884    -4130.70299787
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.10892043
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64515898 eV

  energy without entropy =     -471.64515898  energy(sigma->0) =     -471.64515898


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




 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 -58.5303       2 -39.9781       3 -39.9781       4 -58.2454       5 -58.2498
       6 -58.2570       7 -58.2478       8 -58.2461       9 -58.2460      10 -58.2619
      11 -58.3164      12 -58.2933      13 -58.2511      14 -58.2478      15 -58.2586
      16 -58.4379      17 -58.7298      18 -58.2933      19 -58.2570      20 -58.2513
      21 -58.2782      22 -58.4379      23 -58.3164      24 -58.2498      25 -58.2451
      26 -58.2513      27 -58.2586      28 -58.2619      29 -58.2497      30 -58.2618
      31 -58.2585      32 -58.2513      33 -58.2450      34 -58.2569      35 -58.3163
      36 -58.4378      37 -58.2781      38 -58.2513      39 -58.2477      40 -58.2932
      41 -58.7297      42 -58.4378      43 -58.2585      44 -58.2459      45 -58.2510
      46 -58.2932      47 -58.3163      48 -58.2618      49 -58.2453      50 -58.2459
      51 -58.2477      52 -58.2570      53 -58.2497
 
 
 
 E-fermi :  -3.1510     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     -22.3555      1.00000
      2     -21.5348      1.00000
      3     -21.4065      1.00000
      4     -21.4055      1.00000
      5     -21.3745      1.00000
      6     -21.3654      1.00000
      7     -21.3581      1.00000
      8     -19.6448      1.00000
      9     -19.5713      1.00000
     10     -19.5647      1.00000
     11     -19.5579      1.00000
     12     -19.5402      1.00000
     13     -19.5373      1.00000
     14     -18.7269      1.00000
     15     -18.6792      1.00000
     16     -18.6717      1.00000
     17     -18.6584      1.00000
     18     -18.6430      1.00000
     19     -18.6412      1.00000
     20     -16.5848      1.00000
     21     -16.5262      1.00000
     22     -16.5238      1.00000
     23     -16.5110      1.00000
     24     -16.4868      1.00000
     25     -16.4850      1.00000
     26     -15.5579      1.00000
     27     -15.5258      1.00000
     28     -15.5250      1.00000
     29     -15.4994      1.00000
     30     -15.4944      1.00000
     31     -15.4886      1.00000
     32     -14.2056      1.00000
     33     -14.1797      1.00000
     34     -14.1673      1.00000
     35     -14.1644      1.00000
     36     -14.1597      1.00000
     37     -14.1487      1.00000
     38     -11.8822      1.00000
     39     -11.8079      1.00000
     40     -11.7918      1.00000
     41     -11.7915      1.00000
     42     -11.7885      1.00000
     43     -11.7828      1.00000
     44     -11.7043      1.00000
     45     -11.6977      1.00000
     46     -11.6727      1.00000
     47     -11.6576      1.00000
     48     -11.6573      1.00000
     49     -11.6505      1.00000
     50     -10.6696      1.00000
     51     -10.3285      1.00000
     52     -10.3203      1.00000
     53     -10.3054      1.00000
     54     -10.3039      1.00000
     55     -10.2910      1.00000
     56     -10.2778      1.00000
     57      -9.9232      1.00000
     58      -9.3718      1.00000
     59      -9.3588      1.00000
     60      -9.2999      1.00000
     61      -9.2917      1.00000
     62      -9.2850      1.00000
     63      -9.0915      1.00000
     64      -9.0540      1.00000
     65      -9.0491      1.00000
     66      -9.0263      1.00000
     67      -9.0067      1.00000
     68      -9.0016      1.00000
     69      -9.0010      1.00000
     70      -8.9948      1.00000
     71      -8.9918      1.00000
     72      -8.9725      1.00000
     73      -8.9645      1.00000
     74      -8.9547      1.00000
     75      -8.4910      1.00000
     76      -7.5156      1.00000
     77      -7.4103      1.00000
     78      -7.4101      1.00000
     79      -7.3965      1.00000
     80      -7.3836      1.00000
     81      -7.3646      1.00000
     82      -7.3412      1.00000
     83      -7.3116      1.00000
     84      -7.2668      1.00000
     85      -7.2059      1.00000
     86      -7.1800      1.00000
     87      -7.1798      1.00000
     88      -7.0792      1.00000
     89      -6.5062      1.00000
     90      -6.4599      1.00000
     91      -6.3543      1.00000
     92      -6.2940      1.00000
     93      -6.2877      1.00000
     94      -6.2866      1.00000
     95      -5.8975      1.00000
     96      -5.8850      1.00000
     97      -5.0399      1.00000
     98      -4.9341      1.00000
     99      -4.5357      1.00000
    100      -4.3409      1.00000
    101      -4.3183      1.00000
    102      -4.3173      1.00000
    103      -4.1167      1.00000
    104      -3.9111      1.00000
    105      -3.9015      1.00000
    106      -3.8244      1.00000
    107      -1.6814      0.00000
    108      -1.6682      0.00000
    109      -1.5373      0.00000
    110      -1.5354      0.00000
    111      -1.5240      0.00000
    112      -1.5096      0.00000
    113      -0.5863      0.00000
    114       0.1332      0.00000
    115       0.2064      0.00000
    116       0.3239      0.00000
    117       0.3262      0.00000
    118       0.3332      0.00000
    119       0.4939      0.00000
    120       0.6079      0.00000
    121       1.2614      0.00000
    122       1.2860      0.00000
    123       1.5400      0.00000
    124       1.7522      0.00000
    125       1.8152      0.00000
    126       1.8191      0.00000
    127       1.8242      0.00000
    128       1.9467      0.00000
    129       1.9917      0.00000
    130       2.0311      0.00000
    131       2.0448      0.00000
    132       2.0501      0.00000
    133       2.0568      0.00000
    134       2.0648      0.00000
    135       2.3175      0.00000
    136       2.3270      0.00000
    137       2.6430      0.00000
    138       2.6528      0.00000
    139       2.6824      0.00000
    140       2.7256      0.00000
    141       2.8823      0.00000
    142       2.9929      0.00000
    143       3.0141      0.00000
    144       3.0297      0.00000
    145       3.0306      0.00000
    146       3.0357      0.00000
    147       3.0876      0.00000
    148       3.2465      0.00000
    149       3.4324      0.00000
    150       3.5553      0.00000
    151       3.7775      0.00000
    152       3.9423      0.00000
    153       3.9453      0.00000
    154       3.9541      0.00000
    155       3.9553      0.00000
    156       4.0095      0.00000
    157       4.1850      0.00000
    158       4.2683      0.00000
    159       4.2928      0.00000
    160       4.2944      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3189      1.00000
      2     -21.7603      1.00000
      3     -21.5698      1.00000
      4     -21.5373      1.00000
      5     -21.2069      1.00000
      6     -21.1624      1.00000
      7     -20.9866      1.00000
      8     -20.1008      1.00000
      9     -20.0572      1.00000
     10     -19.5456      1.00000
     11     -19.5211      1.00000
     12     -19.3486      1.00000
     13     -19.0240      1.00000
     14     -18.9890      1.00000
     15     -18.9809      1.00000
     16     -18.9689      1.00000
     17     -18.2968      1.00000
     18     -18.2777      1.00000
     19     -17.9516      1.00000
     20     -17.0088      1.00000
     21     -16.9594      1.00000
     22     -16.8783      1.00000
     23     -16.8685      1.00000
     24     -16.4044      1.00000
     25     -16.3898      1.00000
     26     -15.5513      1.00000
     27     -15.5354      1.00000
     28     -15.1971      1.00000
     29     -15.1688      1.00000
     30     -15.1142      1.00000
     31     -15.0273      1.00000
     32     -15.0026      1.00000
     33     -14.6358      1.00000
     34     -14.6241      1.00000
     35     -13.6669      1.00000
     36     -13.6517      1.00000
     37     -13.1693      1.00000
     38     -12.5505      1.00000
     39     -12.5176      1.00000
     40     -12.3905      1.00000
     41     -12.3775      1.00000
     42     -12.0569      1.00000
     43     -12.0342      1.00000
     44     -11.6585      1.00000
     45     -11.6169      1.00000
     46     -11.1801      1.00000
     47     -11.1567      1.00000
     48     -10.9641      1.00000
     49     -10.9404      1.00000
     50     -10.8727      1.00000
     51     -10.8370      1.00000
     52     -10.5996      1.00000
     53     -10.0926      1.00000
     54     -10.0881      1.00000
     55     -10.0448      1.00000
     56      -9.9696      1.00000
     57      -9.6535      1.00000
     58      -9.6289      1.00000
     59      -9.5916      1.00000
     60      -9.5290      1.00000
     61      -9.5106      1.00000
     62      -9.4790      1.00000
     63      -9.2634      1.00000
     64      -9.2409      1.00000
     65      -9.2204      1.00000
     66      -9.1662      1.00000
     67      -9.0680      1.00000
     68      -9.0466      1.00000
     69      -9.0409      1.00000
     70      -8.8821      1.00000
     71      -8.8062      1.00000
     72      -8.5753      1.00000
     73      -8.5223      1.00000
     74      -8.4563      1.00000
     75      -8.0350      1.00000
     76      -7.8098      1.00000
     77      -7.8063      1.00000
     78      -7.7924      1.00000
     79      -7.7002      1.00000
     80      -7.6908      1.00000
     81      -7.3668      1.00000
     82      -7.2730      1.00000
     83      -7.2646      1.00000
     84      -7.2167      1.00000
     85      -7.1725      1.00000
     86      -7.0089      1.00000
     87      -6.9475      1.00000
     88      -6.7448      1.00000
     89      -6.6717      1.00000
     90      -6.5943      1.00000
     91      -6.5593      1.00000
     92      -6.0503      1.00000
     93      -6.0458      1.00000
     94      -6.0212      1.00000
     95      -5.9592      1.00000
     96      -5.7360      1.00000
     97      -5.1502      1.00000
     98      -4.9871      1.00000
     99      -4.7175      1.00000
    100      -4.6110      1.00000
    101      -4.4386      1.00000
    102      -4.3728      1.00000
    103      -4.1208      1.00000
    104      -3.8674      1.00000
    105      -3.8256      1.00000
    106      -3.7903      1.00000
    107      -1.7856      0.00000
    108      -1.7390      0.00000
    109      -1.3945      0.00000
    110      -1.3464      0.00000
    111      -1.2654      0.00000
    112      -1.2264      0.00000
    113      -0.7455      0.00000
    114      -0.3800      0.00000
    115      -0.2209      0.00000
    116      -0.0201      0.00000
    117       0.5967      0.00000
    118       0.7402      0.00000
    119       0.7651      0.00000
    120       1.0504      0.00000
    121       1.1413      0.00000
    122       1.2513      0.00000
    123       1.2789      0.00000
    124       1.4229      0.00000
    125       1.4905      0.00000
    126       1.5999      0.00000
    127       1.7428      0.00000
    128       1.8391      0.00000
    129       1.8929      0.00000
    130       1.9619      0.00000
    131       2.0981      0.00000
    132       2.2542      0.00000
    133       2.2612      0.00000
    134       2.3185      0.00000
    135       2.5004      0.00000
    136       2.5827      0.00000
    137       2.6474      0.00000
    138       2.7739      0.00000
    139       2.7887      0.00000
    140       2.8113      0.00000
    141       2.8688      0.00000
    142       2.8856      0.00000
    143       2.9409      0.00000
    144       3.1121      0.00000
    145       3.2912      0.00000
    146       3.3014      0.00000
    147       3.3406      0.00000
    148       3.3665      0.00000
    149       3.4727      0.00000
    150       3.5657      0.00000
    151       3.6162      0.00000
    152       3.6755      0.00000
    153       3.7096      0.00000
    154       3.9171      0.00000
    155       3.9361      0.00000
    156       3.9912      0.00000
    157       4.0832      0.00000
    158       4.2077      0.00000
    159       4.2510      0.00000
    160       4.3017      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2131      1.00000
      2     -22.0072      1.00000
      3     -21.6484      1.00000
      4     -21.6117      1.00000
      5     -20.9121      1.00000
      6     -20.8662      1.00000
      7     -20.5448      1.00000
      8     -20.5058      1.00000
      9     -20.4955      1.00000
     10     -19.9630      1.00000
     11     -19.4417      1.00000
     12     -19.4148      1.00000
     13     -19.2412      1.00000
     14     -19.2268      1.00000
     15     -18.3833      1.00000
     16     -18.3396      1.00000
     17     -17.8595      1.00000
     18     -17.8386      1.00000
     19     -17.6972      1.00000
     20     -17.6551      1.00000
     21     -17.3717      1.00000
     22     -17.3558      1.00000
     23     -17.2741      1.00000
     24     -16.4009      1.00000
     25     -16.3862      1.00000
     26     -15.8960      1.00000
     27     -15.3521      1.00000
     28     -15.3368      1.00000
     29     -15.0343      1.00000
     30     -15.0205      1.00000
     31     -14.7992      1.00000
     32     -14.7747      1.00000
     33     -14.2215      1.00000
     34     -14.1897      1.00000
     35     -13.3705      1.00000
     36     -13.3371      1.00000
     37     -13.1195      1.00000
     38     -13.1022      1.00000
     39     -12.9157      1.00000
     40     -12.9024      1.00000
     41     -12.5564      1.00000
     42     -12.5386      1.00000
     43     -12.1329      1.00000
     44     -11.5210      1.00000
     45     -11.4738      1.00000
     46     -11.2530      1.00000
     47     -11.2197      1.00000
     48     -11.0792      1.00000
     49     -10.6566      1.00000
     50     -10.5887      1.00000
     51     -10.5212      1.00000
     52     -10.2573      1.00000
     53     -10.2489      1.00000
     54     -10.1219      1.00000
     55     -10.0487      1.00000
     56     -10.0410      1.00000
     57      -9.7683      1.00000
     58      -9.7046      1.00000
     59      -9.6798      1.00000
     60      -9.6306      1.00000
     61      -9.6264      1.00000
     62      -9.5874      1.00000
     63      -9.2941      1.00000
     64      -9.2850      1.00000
     65      -9.2531      1.00000
     66      -9.0846      1.00000
     67      -8.8969      1.00000
     68      -8.8834      1.00000
     69      -8.7243      1.00000
     70      -8.5869      1.00000
     71      -8.5140      1.00000
     72      -8.3304      1.00000
     73      -8.3020      1.00000
     74      -8.2640      1.00000
     75      -8.2328      1.00000
     76      -8.1953      1.00000
     77      -8.1863      1.00000
     78      -8.1708      1.00000
     79      -8.0978      1.00000
     80      -7.6879      1.00000
     81      -7.3590      1.00000
     82      -7.3105      1.00000
     83      -7.2657      1.00000
     84      -7.1870      1.00000
     85      -7.1257      1.00000
     86      -7.0766      1.00000
     87      -6.9066      1.00000
     88      -6.8824      1.00000
     89      -6.5495      1.00000
     90      -6.4926      1.00000
     91      -6.2099      1.00000
     92      -6.0676      1.00000
     93      -5.9404      1.00000
     94      -5.7127      1.00000
     95      -5.6324      1.00000
     96      -5.4513      1.00000
     97      -5.3039      1.00000
     98      -5.2339      1.00000
     99      -5.1521      1.00000
    100      -5.1515      1.00000
    101      -4.5189      1.00000
    102      -4.4696      1.00000
    103      -4.1391      1.00000
    104      -3.8286      1.00000
    105      -3.7566      1.00000
    106      -3.6805      1.00000
    107      -1.8713      0.00000
    108      -1.8245      0.00000
    109      -1.2768      0.00000
    110      -1.0365      0.00000
    111      -1.0123      0.00000
    112      -0.7129      0.00000
    113      -0.6404      0.00000
    114      -0.5888      0.00000
    115      -0.5466      0.00000
    116      -0.2046      0.00000
    117       0.2517      0.00000
    118       0.2781      0.00000
    119       0.7699      0.00000
    120       0.9512      0.00000
    121       1.1362      0.00000
    122       1.2323      0.00000
    123       1.3242      0.00000
    124       1.4181      0.00000
    125       1.6120      0.00000
    126       1.6353      0.00000
    127       1.7217      0.00000
    128       1.8179      0.00000
    129       1.9349      0.00000
    130       2.0345      0.00000
    131       2.0621      0.00000
    132       2.2814      0.00000
    133       2.3999      0.00000
    134       2.4507      0.00000
    135       2.5539      0.00000
    136       2.6459      0.00000
    137       2.7059      0.00000
    138       2.7735      0.00000
    139       2.8462      0.00000
    140       2.8907      0.00000
    141       3.0453      0.00000
    142       3.1041      0.00000
    143       3.2061      0.00000
    144       3.2488      0.00000
    145       3.3940      0.00000
    146       3.4310      0.00000
    147       3.4995      0.00000
    148       3.5816      0.00000
    149       3.6089      0.00000
    150       3.6320      0.00000
    151       3.6546      0.00000
    152       3.7360      0.00000
    153       3.7501      0.00000
    154       3.7608      0.00000
    155       3.8034      0.00000
    156       3.9011      0.00000
    157       3.9915      0.00000
    158       4.0161      0.00000
    159       4.1881      0.00000
    160       4.2211      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2470      1.00000
      2     -21.8926      1.00000
      3     -21.8227      1.00000
      4     -21.3108      1.00000
      5     -21.2809      1.00000
      6     -20.7696      1.00000
      7     -20.7042      1.00000
      8     -20.5555      1.00000
      9     -20.0083      1.00000
     10     -20.0006      1.00000
     11     -19.6472      1.00000
     12     -19.6231      1.00000
     13     -18.9290      1.00000
     14     -18.9202      1.00000
     15     -18.5701      1.00000
     16     -18.5561      1.00000
     17     -18.3933      1.00000
     18     -17.6140      1.00000
     19     -17.5583      1.00000
     20     -17.5530      1.00000
     21     -17.5117      1.00000
     22     -17.0553      1.00000
     23     -17.0377      1.00000
     24     -16.8912      1.00000
     25     -15.9293      1.00000
     26     -15.8667      1.00000
     27     -15.5156      1.00000
     28     -15.5152      1.00000
     29     -15.2279      1.00000
     30     -14.7940      1.00000
     31     -14.7667      1.00000
     32     -14.5146      1.00000
     33     -14.4708      1.00000
     34     -14.1014      1.00000
     35     -14.0904      1.00000
     36     -13.0760      1.00000
     37     -13.0321      1.00000
     38     -12.9662      1.00000
     39     -12.9545      1.00000
     40     -12.6450      1.00000
     41     -12.6380      1.00000
     42     -12.2734      1.00000
     43     -12.2423      1.00000
     44     -11.5865      1.00000
     45     -11.5604      1.00000
     46     -11.5062      1.00000
     47     -10.9030      1.00000
     48     -10.8507      1.00000
     49     -10.6185      1.00000
     50     -10.5588      1.00000
     51     -10.4836      1.00000
     52     -10.4334      1.00000
     53     -10.4233      1.00000
     54     -10.3708      1.00000
     55     -10.2931      1.00000
     56     -10.0638      1.00000
     57      -9.8328      1.00000
     58      -9.5474      1.00000
     59      -9.4878      1.00000
     60      -9.4681      1.00000
     61      -9.3460      1.00000
     62      -9.3305      1.00000
     63      -9.3102      1.00000
     64      -9.3078      1.00000
     65      -9.2136      1.00000
     66      -9.1115      1.00000
     67      -9.0804      1.00000
     68      -9.0498      1.00000
     69      -8.8461      1.00000
     70      -8.7927      1.00000
     71      -8.7738      1.00000
     72      -8.5267      1.00000
     73      -8.4738      1.00000
     74      -8.2192      1.00000
     75      -8.1097      1.00000
     76      -8.0995      1.00000
     77      -7.8062      1.00000
     78      -7.7822      1.00000
     79      -7.7814      1.00000
     80      -7.6727      1.00000
     81      -7.6319      1.00000
     82      -7.6301      1.00000
     83      -7.4028      1.00000
     84      -7.3241      1.00000
     85      -7.2049      1.00000
     86      -6.8393      1.00000
     87      -6.8293      1.00000
     88      -6.6584      1.00000
     89      -6.5384      1.00000
     90      -6.3440      1.00000
     91      -6.3065      1.00000
     92      -6.1842      1.00000
     93      -6.1473      1.00000
     94      -5.9771      1.00000
     95      -5.5711      1.00000
     96      -5.4255      1.00000
     97      -5.2585      1.00000
     98      -5.2446      1.00000
     99      -5.1488      1.00000
    100      -4.6949      1.00000
    101      -4.6648      1.00000
    102      -4.3495      1.00000
    103      -4.3115      1.00000
    104      -3.9623      1.00000
    105      -3.8209      1.00000
    106      -3.3907      1.00000
    107      -2.2206      0.00000
    108      -1.3766      0.00000
    109      -1.2867      0.00000
    110      -1.1739      0.00000
    111      -1.0781      0.00000
    112      -0.8942      0.00000
    113      -0.7688      0.00000
    114      -0.7576      0.00000
    115      -0.2206      0.00000
    116       0.1126      0.00000
    117       0.2630      0.00000
    118       0.3454      0.00000
    119       0.7443      0.00000
    120       0.9052      0.00000
    121       0.9730      0.00000
    122       1.1005      0.00000
    123       1.2158      0.00000
    124       1.5380      0.00000
    125       1.5875      0.00000
    126       1.7202      0.00000
    127       1.8389      0.00000
    128       1.8622      0.00000
    129       1.9417      0.00000
    130       2.0275      0.00000
    131       2.1467      0.00000
    132       2.2925      0.00000
    133       2.4030      0.00000
    134       2.4665      0.00000
    135       2.4782      0.00000
    136       2.6664      0.00000
    137       2.6864      0.00000
    138       2.7477      0.00000
    139       2.7516      0.00000
    140       2.9037      0.00000
    141       3.0370      0.00000
    142       3.0925      0.00000
    143       3.1662      0.00000
    144       3.2076      0.00000
    145       3.2534      0.00000
    146       3.2764      0.00000
    147       3.3621      0.00000
    148       3.4923      0.00000
    149       3.5520      0.00000
    150       3.7121      0.00000
    151       3.7619      0.00000
    152       3.7704      0.00000
    153       3.8268      0.00000
    154       3.8939      0.00000
    155       3.9623      0.00000
    156       3.9732      0.00000
    157       3.9997      0.00000
    158       4.0315      0.00000
    159       4.0357      0.00000
    160       4.1159      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1406      1.00000
      2     -22.0464      1.00000
      3     -21.8861      1.00000
      4     -21.3340      1.00000
      5     -20.9809      1.00000
      6     -20.9428      1.00000
      7     -20.4325      1.00000
      8     -20.3903      1.00000
      9     -20.2260      1.00000
     10     -20.2048      1.00000
     11     -19.8883      1.00000
     12     -19.8212      1.00000
     13     -18.8140      1.00000
     14     -18.7436      1.00000
     15     -18.2890      1.00000
     16     -18.2362      1.00000
     17     -18.0853      1.00000
     18     -18.0656      1.00000
     19     -17.7608      1.00000
     20     -17.7190      1.00000
     21     -17.1883      1.00000
     22     -17.1698      1.00000
     23     -17.0994      1.00000
     24     -17.0635      1.00000
     25     -16.0374      1.00000
     26     -15.8224      1.00000
     27     -15.7993      1.00000
     28     -15.7643      1.00000
     29     -15.1734      1.00000
     30     -14.4906      1.00000
     31     -14.4583      1.00000
     32     -14.2176      1.00000
     33     -13.8948      1.00000
     34     -13.8898      1.00000
     35     -13.7557      1.00000
     36     -13.7357      1.00000
     37     -13.5511      1.00000
     38     -13.5031      1.00000
     39     -13.2995      1.00000
     40     -12.5639      1.00000
     41     -12.1244      1.00000
     42     -12.0661      1.00000
     43     -12.0093      1.00000
     44     -11.9514      1.00000
     45     -11.6104      1.00000
     46     -11.5880      1.00000
     47     -11.0844      1.00000
     48     -11.0520      1.00000
     49     -10.7514      1.00000
     50     -10.6640      1.00000
     51     -10.5222      1.00000
     52     -10.1481      1.00000
     53     -10.1382      1.00000
     54     -10.0959      1.00000
     55      -9.9528      1.00000
     56      -9.9472      1.00000
     57      -9.9170      1.00000
     58      -9.7374      1.00000
     59      -9.7310      1.00000
     60      -9.7006      1.00000
     61      -9.6905      1.00000
     62      -9.4272      1.00000
     63      -9.3627      1.00000
     64      -9.0839      1.00000
     65      -9.0064      1.00000
     66      -8.9746      1.00000
     67      -8.8879      1.00000
     68      -8.8109      1.00000
     69      -8.6572      1.00000
     70      -8.6348      1.00000
     71      -8.5763      1.00000
     72      -8.4783      1.00000
     73      -8.4673      1.00000
     74      -8.3979      1.00000
     75      -8.3944      1.00000
     76      -8.1833      1.00000
     77      -8.1123      1.00000
     78      -7.9770      1.00000
     79      -7.9134      1.00000
     80      -7.8467      1.00000
     81      -7.6156      1.00000
     82      -7.5304      1.00000
     83      -7.4692      1.00000
     84      -7.2638      1.00000
     85      -6.9341      1.00000
     86      -6.8580      1.00000
     87      -6.8115      1.00000
     88      -6.5713      1.00000
     89      -6.4665      1.00000
     90      -6.4208      1.00000
     91      -6.3567      1.00000
     92      -6.0494      1.00000
     93      -5.8762      1.00000
     94      -5.7524      1.00000
     95      -5.7215      1.00000
     96      -5.4748      1.00000
     97      -5.3447      1.00000
     98      -5.1800      1.00000
     99      -5.1560      1.00000
    100      -5.1546      1.00000
    101      -4.7061      1.00000
    102      -4.4403      1.00000
    103      -4.2523      1.00000
    104      -3.9932      1.00000
    105      -3.8197      1.00000
    106      -3.1571      1.00000
    107      -2.4636      0.00000
    108      -1.3783      0.00000
    109      -1.2415      0.00000
    110      -1.1467      0.00000
    111      -1.1152      0.00000
    112      -0.5644      0.00000
    113      -0.4352      0.00000
    114      -0.4305      0.00000
    115      -0.3108      0.00000
    116      -0.1910      0.00000
    117       0.0613      0.00000
    118       0.1157      0.00000
    119       0.5398      0.00000
    120       0.6834      0.00000
    121       0.8806      0.00000
    122       0.9786      0.00000
    123       1.1202      0.00000
    124       1.5047      0.00000
    125       1.6770      0.00000
    126       1.8333      0.00000
    127       1.8927      0.00000
    128       2.0800      0.00000
    129       2.1160      0.00000
    130       2.1660      0.00000
    131       2.2188      0.00000
    132       2.3272      0.00000
    133       2.3404      0.00000
    134       2.4817      0.00000
    135       2.5632      0.00000
    136       2.6860      0.00000
    137       2.8890      0.00000
    138       2.9379      0.00000
    139       2.9767      0.00000
    140       2.9918      0.00000
    141       3.0505      0.00000
    142       3.1380      0.00000
    143       3.1649      0.00000
    144       3.2500      0.00000
    145       3.3033      0.00000
    146       3.3417      0.00000
    147       3.3538      0.00000
    148       3.3881      0.00000
    149       3.4194      0.00000
    150       3.5102      0.00000
    151       3.5613      0.00000
    152       3.6198      0.00000
    153       3.6509      0.00000
    154       3.7003      0.00000
    155       3.7242      0.00000
    156       3.9311      0.00000
    157       3.9404      0.00000
    158       4.0733      0.00000
    159       4.1143      0.00000
    160       4.2222      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2468      1.00000
      2     -21.8941      1.00000
      3     -21.8212      1.00000
      4     -21.3154      1.00000
      5     -21.2770      1.00000
      6     -20.7706      1.00000
      7     -20.7022      1.00000
      8     -20.5539      1.00000
      9     -20.0220      1.00000
     10     -19.9900      1.00000
     11     -19.6497      1.00000
     12     -19.6189      1.00000
     13     -18.9426      1.00000
     14     -18.9083      1.00000
     15     -18.5833      1.00000
     16     -18.5464      1.00000
     17     -18.3916      1.00000
     18     -17.6011      1.00000
     19     -17.5702      1.00000
     20     -17.5410      1.00000
     21     -17.5083      1.00000
     22     -17.0737      1.00000
     23     -17.0274      1.00000
     24     -16.8998      1.00000
     25     -15.9451      1.00000
     26     -15.8506      1.00000
     27     -15.5326      1.00000
     28     -15.5063      1.00000
     29     -15.2090      1.00000
     30     -14.8131      1.00000
     31     -14.7613      1.00000
     32     -14.5091      1.00000
     33     -14.4677      1.00000
     34     -14.0958      1.00000
     35     -14.0927      1.00000
     36     -13.1041      1.00000
     37     -13.0291      1.00000
     38     -12.9565      1.00000
     39     -12.9494      1.00000
     40     -12.6552      1.00000
     41     -12.6273      1.00000
     42     -12.2736      1.00000
     43     -12.2466      1.00000
     44     -11.5725      1.00000
     45     -11.5533      1.00000
     46     -11.5002      1.00000
     47     -10.8773      1.00000
     48     -10.8679      1.00000
     49     -10.6784      1.00000
     50     -10.5252      1.00000
     51     -10.5191      1.00000
     52     -10.4331      1.00000
     53     -10.4157      1.00000
     54     -10.3699      1.00000
     55     -10.2877      1.00000
     56     -10.0592      1.00000
     57      -9.8317      1.00000
     58      -9.5579      1.00000
     59      -9.4846      1.00000
     60      -9.4428      1.00000
     61      -9.3551      1.00000
     62      -9.3391      1.00000
     63      -9.3077      1.00000
     64      -9.3023      1.00000
     65      -9.2054      1.00000
     66      -9.0991      1.00000
     67      -9.0684      1.00000
     68      -9.0489      1.00000
     69      -8.8487      1.00000
     70      -8.7964      1.00000
     71      -8.7775      1.00000
     72      -8.5263      1.00000
     73      -8.4947      1.00000
     74      -8.2241      1.00000
     75      -8.1291      1.00000
     76      -8.0928      1.00000
     77      -7.8061      1.00000
     78      -7.7674      1.00000
     79      -7.7395      1.00000
     80      -7.7016      1.00000
     81      -7.6356      1.00000
     82      -7.6245      1.00000
     83      -7.3887      1.00000
     84      -7.3444      1.00000
     85      -7.2237      1.00000
     86      -6.8435      1.00000
     87      -6.8208      1.00000
     88      -6.6373      1.00000
     89      -6.5290      1.00000
     90      -6.3416      1.00000
     91      -6.2719      1.00000
     92      -6.1949      1.00000
     93      -6.1320      1.00000
     94      -6.0195      1.00000
     95      -5.6333      1.00000
     96      -5.5075      1.00000
     97      -5.2974      1.00000
     98      -5.1559      1.00000
     99      -5.0387      1.00000
    100      -4.7243      1.00000
    101      -4.6852      1.00000
    102      -4.3679      1.00000
    103      -4.1829      1.00000
    104      -4.0060      1.00000
    105      -3.8193      1.00000
    106      -3.4847      1.00000
    107      -2.1652      0.00000
    108      -1.3830      0.00000
    109      -1.2361      0.00000
    110      -1.1857      0.00000
    111      -1.0141      0.00000
    112      -0.9563      0.00000
    113      -0.7980      0.00000
    114      -0.7528      0.00000
    115      -0.3671      0.00000
    116       0.2448      0.00000
    117       0.2761      0.00000
    118       0.3634      0.00000
    119       0.7101      0.00000
    120       0.8693      0.00000
    121       0.9655      0.00000
    122       1.1333      0.00000
    123       1.2461      0.00000
    124       1.4612      0.00000
    125       1.5816      0.00000
    126       1.7840      0.00000
    127       1.8460      0.00000
    128       1.8716      0.00000
    129       2.0003      0.00000
    130       2.0378      0.00000
    131       2.1814      0.00000
    132       2.2336      0.00000
    133       2.3945      0.00000
    134       2.4215      0.00000
    135       2.5081      0.00000
    136       2.6597      0.00000
    137       2.6845      0.00000
    138       2.7422      0.00000
    139       2.7771      0.00000
    140       2.8731      0.00000
    141       2.9864      0.00000
    142       3.0887      0.00000
    143       3.1548      0.00000
    144       3.2045      0.00000
    145       3.2620      0.00000
    146       3.2945      0.00000
    147       3.3320      0.00000
    148       3.4925      0.00000
    149       3.5331      0.00000
    150       3.7155      0.00000
    151       3.7382      0.00000
    152       3.7709      0.00000
    153       3.8643      0.00000
    154       3.8779      0.00000
    155       3.9036      0.00000
    156       3.9633      0.00000
    157       4.0059      0.00000
    158       4.0350      0.00000
    159       4.0425      0.00000
    160       4.0912      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3189      1.00000
      2     -21.7606      1.00000
      3     -21.5671      1.00000
      4     -21.5402      1.00000
      5     -21.2042      1.00000
      6     -21.1657      1.00000
      7     -20.9853      1.00000
      8     -20.0979      1.00000
      9     -20.0595      1.00000
     10     -19.5455      1.00000
     11     -19.5257      1.00000
     12     -19.3444      1.00000
     13     -19.0273      1.00000
     14     -18.9878      1.00000
     15     -18.9771      1.00000
     16     -18.9716      1.00000
     17     -18.2954      1.00000
     18     -18.2822      1.00000
     19     -17.9460      1.00000
     20     -16.9997      1.00000
     21     -16.9594      1.00000
     22     -16.8823      1.00000
     23     -16.8696      1.00000
     24     -16.4156      1.00000
     25     -16.3930      1.00000
     26     -15.5403      1.00000
     27     -15.5370      1.00000
     28     -15.1726      1.00000
     29     -15.1709      1.00000
     30     -15.1304      1.00000
     31     -15.0361      1.00000
     32     -15.0009      1.00000
     33     -14.6330      1.00000
     34     -14.6261      1.00000
     35     -13.6624      1.00000
     36     -13.6526      1.00000
     37     -13.1708      1.00000
     38     -12.5724      1.00000
     39     -12.5132      1.00000
     40     -12.3854      1.00000
     41     -12.3848      1.00000
     42     -12.0352      1.00000
     43     -12.0311      1.00000
     44     -11.6542      1.00000
     45     -11.6144      1.00000
     46     -11.2054      1.00000
     47     -11.1569      1.00000
     48     -10.9546      1.00000
     49     -10.9422      1.00000
     50     -10.8599      1.00000
     51     -10.8280      1.00000
     52     -10.6212      1.00000
     53     -10.1451      1.00000
     54     -10.0842      1.00000
     55     -10.0250      1.00000
     56      -9.9444      1.00000
     57      -9.6309      1.00000
     58      -9.6291      1.00000
     59      -9.6025      1.00000
     60      -9.5400      1.00000
     61      -9.5034      1.00000
     62      -9.4790      1.00000
     63      -9.2714      1.00000
     64      -9.2354      1.00000
     65      -9.2067      1.00000
     66      -9.1793      1.00000
     67      -9.0621      1.00000
     68      -9.0470      1.00000
     69      -9.0435      1.00000
     70      -8.8765      1.00000
     71      -8.8084      1.00000
     72      -8.5333      1.00000
     73      -8.5327      1.00000
     74      -8.4966      1.00000
     75      -8.0311      1.00000
     76      -7.8316      1.00000
     77      -7.7979      1.00000
     78      -7.7740      1.00000
     79      -7.7034      1.00000
     80      -7.6845      1.00000
     81      -7.4172      1.00000
     82      -7.2878      1.00000
     83      -7.2519      1.00000
     84      -7.2020      1.00000
     85      -7.0800      1.00000
     86      -7.0781      1.00000
     87      -6.9383      1.00000
     88      -6.7097      1.00000
     89      -6.6734      1.00000
     90      -6.6291      1.00000
     91      -6.5574      1.00000
     92      -6.0712      1.00000
     93      -6.0311      1.00000
     94      -6.0005      1.00000
     95      -5.9379      1.00000
     96      -5.7984      1.00000
     97      -5.1768      1.00000
     98      -4.8918      1.00000
     99      -4.7922      1.00000
    100      -4.6110      1.00000
    101      -4.5122      1.00000
    102      -4.1384      1.00000
    103      -4.0908      1.00000
    104      -3.9313      1.00000
    105      -3.9152      1.00000
    106      -3.8187      1.00000
    107      -1.7522      0.00000
    108      -1.6969      0.00000
    109      -1.4101      0.00000
    110      -1.3716      0.00000
    111      -1.2652      0.00000
    112      -1.2362      0.00000
    113      -0.6244      0.00000
    114      -0.5991      0.00000
    115      -0.1904      0.00000
    116       0.0408      0.00000
    117       0.5927      0.00000
    118       0.7428      0.00000
    119       0.8488      0.00000
    120       0.9293      0.00000
    121       1.1669      0.00000
    122       1.2158      0.00000
    123       1.2496      0.00000
    124       1.4363      0.00000
    125       1.6029      0.00000
    126       1.6511      0.00000
    127       1.7177      0.00000
    128       1.7805      0.00000
    129       1.9177      0.00000
    130       1.9394      0.00000
    131       2.1486      0.00000
    132       2.1877      0.00000
    133       2.2665      0.00000
    134       2.3207      0.00000
    135       2.5600      0.00000
    136       2.5883      0.00000
    137       2.5920      0.00000
    138       2.7648      0.00000
    139       2.7897      0.00000
    140       2.7992      0.00000
    141       2.8936      0.00000
    142       2.9180      0.00000
    143       3.0294      0.00000
    144       3.0513      0.00000
    145       3.1158      0.00000
    146       3.3030      0.00000
    147       3.3208      0.00000
    148       3.3868      0.00000
    149       3.4828      0.00000
    150       3.5805      0.00000
    151       3.6421      0.00000
    152       3.6578      0.00000
    153       3.6830      0.00000
    154       3.9036      0.00000
    155       3.9784      0.00000
    156       4.0185      0.00000
    157       4.0917      0.00000
    158       4.2449      0.00000
    159       4.2616      0.00000
    160       4.2706      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1396      1.00000
      2     -22.0479      1.00000
      3     -21.8856      1.00000
      4     -21.3349      1.00000
      5     -20.9760      1.00000
      6     -20.9469      1.00000
      7     -20.4273      1.00000
      8     -20.3956      1.00000
      9     -20.2158      1.00000
     10     -20.2136      1.00000
     11     -19.8871      1.00000
     12     -19.8238      1.00000
     13     -18.8169      1.00000
     14     -18.7467      1.00000
     15     -18.2654      1.00000
     16     -18.2513      1.00000
     17     -18.0801      1.00000
     18     -18.0732      1.00000
     19     -17.7456      1.00000
     20     -17.7298      1.00000
     21     -17.1946      1.00000
     22     -17.1712      1.00000
     23     -17.0887      1.00000
     24     -17.0678      1.00000
     25     -16.0535      1.00000
     26     -15.8080      1.00000
     27     -15.7986      1.00000
     28     -15.7774      1.00000
     29     -15.1591      1.00000
     30     -14.4851      1.00000
     31     -14.4640      1.00000
     32     -14.2041      1.00000
     33     -13.9160      1.00000
     34     -13.8866      1.00000
     35     -13.7590      1.00000
     36     -13.7387      1.00000
     37     -13.5361      1.00000
     38     -13.5101      1.00000
     39     -13.3010      1.00000
     40     -12.5762      1.00000
     41     -12.1010      1.00000
     42     -12.0768      1.00000
     43     -11.9981      1.00000
     44     -11.9506      1.00000
     45     -11.6054      1.00000
     46     -11.5979      1.00000
     47     -11.0841      1.00000
     48     -11.0607      1.00000
     49     -10.7312      1.00000
     50     -10.6643      1.00000
     51     -10.5540      1.00000
     52     -10.1396      1.00000
     53     -10.1350      1.00000
     54     -10.1005      1.00000
     55      -9.9658      1.00000
     56      -9.9255      1.00000
     57      -9.9213      1.00000
     58      -9.7506      1.00000
     59      -9.7292      1.00000
     60      -9.6975      1.00000
     61      -9.6945      1.00000
     62      -9.3991      1.00000
     63      -9.3888      1.00000
     64      -9.0672      1.00000
     65      -8.9817      1.00000
     66      -8.9816      1.00000
     67      -8.9053      1.00000
     68      -8.8118      1.00000
     69      -8.6495      1.00000
     70      -8.6337      1.00000
     71      -8.5456      1.00000
     72      -8.5012      1.00000
     73      -8.4827      1.00000
     74      -8.3942      1.00000
     75      -8.3828      1.00000
     76      -8.2086      1.00000
     77      -8.1005      1.00000
     78      -8.0063      1.00000
     79      -7.9009      1.00000
     80      -7.8429      1.00000
     81      -7.6210      1.00000
     82      -7.5333      1.00000
     83      -7.4565      1.00000
     84      -7.2598      1.00000
     85      -6.9425      1.00000
     86      -6.8694      1.00000
     87      -6.8105      1.00000
     88      -6.4775      1.00000
     89      -6.4684      1.00000
     90      -6.4096      1.00000
     91      -6.3596      1.00000
     92      -6.1840      1.00000
     93      -5.8577      1.00000
     94      -5.7375      1.00000
     95      -5.7111      1.00000
     96      -5.5208      1.00000
     97      -5.3285      1.00000
     98      -5.1722      1.00000
     99      -5.1674      1.00000
    100      -5.1339      1.00000
    101      -4.6954      1.00000
    102      -4.3489      1.00000
    103      -4.2766      1.00000
    104      -4.0254      1.00000
    105      -3.8207      1.00000
    106      -3.2335      1.00000
    107      -2.4062      0.00000
    108      -1.3447      0.00000
    109      -1.2442      0.00000
    110      -1.1542      0.00000
    111      -1.1088      0.00000
    112      -0.5834      0.00000
    113      -0.5220      0.00000
    114      -0.4346      0.00000
    115      -0.2751      0.00000
    116      -0.0720      0.00000
    117      -0.0119      0.00000
    118       0.0591      0.00000
    119       0.5836      0.00000
    120       0.7099      0.00000
    121       0.8188      0.00000
    122       0.9529      0.00000
    123       1.1932      0.00000
    124       1.5295      0.00000
    125       1.6294      0.00000
    126       1.8818      0.00000
    127       2.0212      0.00000
    128       2.0584      0.00000
    129       2.0886      0.00000
    130       2.1356      0.00000
    131       2.2251      0.00000
    132       2.2864      0.00000
    133       2.3376      0.00000
    134       2.4284      0.00000
    135       2.6099      0.00000
    136       2.7135      0.00000
    137       2.8457      0.00000
    138       2.9144      0.00000
    139       2.9438      0.00000
    140       3.0143      0.00000
    141       3.0527      0.00000
    142       3.1262      0.00000
    143       3.1742      0.00000
    144       3.2220      0.00000
    145       3.3081      0.00000
    146       3.3210      0.00000
    147       3.3609      0.00000
    148       3.3799      0.00000
    149       3.4336      0.00000
    150       3.4550      0.00000
    151       3.5623      0.00000
    152       3.6088      0.00000
    153       3.6543      0.00000
    154       3.6991      0.00000
    155       3.8687      0.00000
    156       3.9057      0.00000
    157       3.9453      0.00000
    158       3.9655      0.00000
    159       4.1759      0.00000
    160       4.2046      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2127      1.00000
      2     -22.0079      1.00000
      3     -21.6457      1.00000
      4     -21.6148      1.00000
      5     -20.9092      1.00000
      6     -20.8690      1.00000
      7     -20.5386      1.00000
      8     -20.5064      1.00000
      9     -20.4996      1.00000
     10     -19.9621      1.00000
     11     -19.4403      1.00000
     12     -19.4186      1.00000
     13     -19.2396      1.00000
     14     -19.2327      1.00000
     15     -18.3757      1.00000
     16     -18.3410      1.00000
     17     -17.8585      1.00000
     18     -17.8427      1.00000
     19     -17.6909      1.00000
     20     -17.6554      1.00000
     21     -17.3720      1.00000
     22     -17.3580      1.00000
     23     -17.2672      1.00000
     24     -16.4131      1.00000
     25     -16.3898      1.00000
     26     -15.9045      1.00000
     27     -15.3433      1.00000
     28     -15.3383      1.00000
     29     -15.0308      1.00000
     30     -15.0212      1.00000
     31     -14.7764      1.00000
     32     -14.7741      1.00000
     33     -14.2373      1.00000
     34     -14.1871      1.00000
     35     -13.3873      1.00000
     36     -13.3335      1.00000
     37     -13.1110      1.00000
     38     -13.1029      1.00000
     39     -12.9175      1.00000
     40     -12.9120      1.00000
     41     -12.5453      1.00000
     42     -12.5376      1.00000
     43     -12.1335      1.00000
     44     -11.5131      1.00000
     45     -11.4692      1.00000
     46     -11.2443      1.00000
     47     -11.2131      1.00000
     48     -11.0861      1.00000
     49     -10.7023      1.00000
     50     -10.5954      1.00000
     51     -10.5073      1.00000
     52     -10.2516      1.00000
     53     -10.2473      1.00000
     54     -10.1206      1.00000
     55     -10.0539      1.00000
     56     -10.0392      1.00000
     57      -9.7836      1.00000
     58      -9.6869      1.00000
     59      -9.6735      1.00000
     60      -9.6380      1.00000
     61      -9.6282      1.00000
     62      -9.5857      1.00000
     63      -9.2955      1.00000
     64      -9.2837      1.00000
     65      -9.2528      1.00000
     66      -9.0618      1.00000
     67      -8.8949      1.00000
     68      -8.8839      1.00000
     69      -8.7184      1.00000
     70      -8.5788      1.00000
     71      -8.5260      1.00000
     72      -8.3498      1.00000
     73      -8.3044      1.00000
     74      -8.2434      1.00000
     75      -8.2378      1.00000
     76      -8.1946      1.00000
     77      -8.1820      1.00000
     78      -8.1696      1.00000
     79      -8.1046      1.00000
     80      -7.6888      1.00000
     81      -7.4219      1.00000
     82      -7.3434      1.00000
     83      -7.2600      1.00000
     84      -7.1690      1.00000
     85      -7.1097      1.00000
     86      -7.0057      1.00000
     87      -6.9034      1.00000
     88      -6.8487      1.00000
     89      -6.5420      1.00000
     90      -6.4990      1.00000
     91      -6.2068      1.00000
     92      -6.2016      1.00000
     93      -5.8944      1.00000
     94      -5.6721      1.00000
     95      -5.6056      1.00000
     96      -5.5800      1.00000
     97      -5.2532      1.00000
     98      -5.2309      1.00000
     99      -5.1647      1.00000
    100      -5.1347      1.00000
    101      -4.5985      1.00000
    102      -4.2471      1.00000
    103      -4.0418      1.00000
    104      -3.8845      1.00000
    105      -3.8359      1.00000
    106      -3.7987      1.00000
    107      -1.8086      0.00000
    108      -1.7816      0.00000
    109      -1.2245      0.00000
    110      -1.1758      0.00000
    111      -0.9746      0.00000
    112      -0.7347      0.00000
    113      -0.6507      0.00000
    114      -0.5945      0.00000
    115      -0.5501      0.00000
    116      -0.1547      0.00000
    117       0.1755      0.00000
    118       0.2874      0.00000
    119       0.7154      0.00000
    120       0.9579      0.00000
    121       1.1708      0.00000
    122       1.2773      0.00000
    123       1.3544      0.00000
    124       1.5245      0.00000
    125       1.6170      0.00000
    126       1.6366      0.00000
    127       1.6957      0.00000
    128       1.7798      0.00000
    129       1.8741      0.00000
    130       2.0387      0.00000
    131       2.1634      0.00000
    132       2.2842      0.00000
    133       2.4198      0.00000
    134       2.4199      0.00000
    135       2.5746      0.00000
    136       2.6392      0.00000
    137       2.6947      0.00000
    138       2.6970      0.00000
    139       2.7691      0.00000
    140       2.9115      0.00000
    141       3.0555      0.00000
    142       3.0736      0.00000
    143       3.2004      0.00000
    144       3.2899      0.00000
    145       3.4028      0.00000
    146       3.4192      0.00000
    147       3.4637      0.00000
    148       3.5462      0.00000
    149       3.5827      0.00000
    150       3.6407      0.00000
    151       3.6724      0.00000
    152       3.7010      0.00000
    153       3.7516      0.00000
    154       3.7549      0.00000
    155       3.8400      0.00000
    156       3.9117      0.00000
    157       3.9139      0.00000
    158       3.9798      0.00000
    159       4.1998      0.00000
    160       4.2373      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3555      1.00000
      2     -21.5348      1.00000
      3     -21.4065      1.00000
      4     -21.4055      1.00000
      5     -21.3745      1.00000
      6     -21.3654      1.00000
      7     -21.3581      1.00000
      8     -19.6448      1.00000
      9     -19.5713      1.00000
     10     -19.5647      1.00000
     11     -19.5579      1.00000
     12     -19.5402      1.00000
     13     -19.5373      1.00000
     14     -18.7269      1.00000
     15     -18.6792      1.00000
     16     -18.6717      1.00000
     17     -18.6584      1.00000
     18     -18.6430      1.00000
     19     -18.6412      1.00000
     20     -16.5848      1.00000
     21     -16.5262      1.00000
     22     -16.5238      1.00000
     23     -16.5110      1.00000
     24     -16.4868      1.00000
     25     -16.4850      1.00000
     26     -15.5579      1.00000
     27     -15.5258      1.00000
     28     -15.5250      1.00000
     29     -15.4994      1.00000
     30     -15.4944      1.00000
     31     -15.4886      1.00000
     32     -14.2056      1.00000
     33     -14.1797      1.00000
     34     -14.1673      1.00000
     35     -14.1644      1.00000
     36     -14.1597      1.00000
     37     -14.1487      1.00000
     38     -11.8822      1.00000
     39     -11.8079      1.00000
     40     -11.7918      1.00000
     41     -11.7915      1.00000
     42     -11.7885      1.00000
     43     -11.7828      1.00000
     44     -11.7043      1.00000
     45     -11.6977      1.00000
     46     -11.6727      1.00000
     47     -11.6576      1.00000
     48     -11.6573      1.00000
     49     -11.6505      1.00000
     50     -10.6696      1.00000
     51     -10.3285      1.00000
     52     -10.3203      1.00000
     53     -10.3054      1.00000
     54     -10.3039      1.00000
     55     -10.2910      1.00000
     56     -10.2778      1.00000
     57      -9.9232      1.00000
     58      -9.3718      1.00000
     59      -9.3588      1.00000
     60      -9.2999      1.00000
     61      -9.2917      1.00000
     62      -9.2850      1.00000
     63      -9.0915      1.00000
     64      -9.0540      1.00000
     65      -9.0491      1.00000
     66      -9.0263      1.00000
     67      -9.0067      1.00000
     68      -9.0016      1.00000
     69      -9.0010      1.00000
     70      -8.9948      1.00000
     71      -8.9918      1.00000
     72      -8.9725      1.00000
     73      -8.9645      1.00000
     74      -8.9547      1.00000
     75      -8.4910      1.00000
     76      -7.5156      1.00000
     77      -7.4103      1.00000
     78      -7.4101      1.00000
     79      -7.3965      1.00000
     80      -7.3836      1.00000
     81      -7.3646      1.00000
     82      -7.3412      1.00000
     83      -7.3116      1.00000
     84      -7.2668      1.00000
     85      -7.2059      1.00000
     86      -7.1800      1.00000
     87      -7.1798      1.00000
     88      -7.0792      1.00000
     89      -6.5062      1.00000
     90      -6.4599      1.00000
     91      -6.3543      1.00000
     92      -6.2940      1.00000
     93      -6.2877      1.00000
     94      -6.2866      1.00000
     95      -5.8975      1.00000
     96      -5.8850      1.00000
     97      -5.0399      1.00000
     98      -4.9341      1.00000
     99      -4.5357      1.00000
    100      -4.3409      1.00000
    101      -4.3183      1.00000
    102      -4.3173      1.00000
    103      -4.1167      1.00000
    104      -3.9111      1.00000
    105      -3.9015      1.00000
    106      -3.8244      1.00000
    107      -1.6814      0.00000
    108      -1.6682      0.00000
    109      -1.5373      0.00000
    110      -1.5354      0.00000
    111      -1.5240      0.00000
    112      -1.5096      0.00000
    113      -0.5863      0.00000
    114       0.1332      0.00000
    115       0.2064      0.00000
    116       0.3239      0.00000
    117       0.3262      0.00000
    118       0.3332      0.00000
    119       0.4939      0.00000
    120       0.6079      0.00000
    121       1.2614      0.00000
    122       1.2860      0.00000
    123       1.5400      0.00000
    124       1.7522      0.00000
    125       1.8152      0.00000
    126       1.8191      0.00000
    127       1.8242      0.00000
    128       1.9467      0.00000
    129       1.9917      0.00000
    130       2.0311      0.00000
    131       2.0448      0.00000
    132       2.0501      0.00000
    133       2.0568      0.00000
    134       2.0648      0.00000
    135       2.3175      0.00000
    136       2.3270      0.00000
    137       2.6430      0.00000
    138       2.6528      0.00000
    139       2.6824      0.00000
    140       2.7256      0.00000
    141       2.8823      0.00000
    142       2.9929      0.00000
    143       3.0141      0.00000
    144       3.0297      0.00000
    145       3.0306      0.00000
    146       3.0356      0.00000
    147       3.0876      0.00000
    148       3.2465      0.00000
    149       3.4324      0.00000
    150       3.5553      0.00000
    151       3.7775      0.00000
    152       3.9423      0.00000
    153       3.9453      0.00000
    154       3.9541      0.00000
    155       3.9553      0.00000
    156       4.0095      0.00000
    157       4.1850      0.00000
    158       4.2683      0.00000
    159       4.2928      0.00000
    160       4.2944      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3189      1.00000
      2     -21.7603      1.00000
      3     -21.5698      1.00000
      4     -21.5373      1.00000
      5     -21.2069      1.00000
      6     -21.1624      1.00000
      7     -20.9866      1.00000
      8     -20.1008      1.00000
      9     -20.0572      1.00000
     10     -19.5456      1.00000
     11     -19.5211      1.00000
     12     -19.3486      1.00000
     13     -19.0240      1.00000
     14     -18.9890      1.00000
     15     -18.9809      1.00000
     16     -18.9689      1.00000
     17     -18.2968      1.00000
     18     -18.2777      1.00000
     19     -17.9516      1.00000
     20     -17.0088      1.00000
     21     -16.9594      1.00000
     22     -16.8783      1.00000
     23     -16.8685      1.00000
     24     -16.4044      1.00000
     25     -16.3898      1.00000
     26     -15.5513      1.00000
     27     -15.5354      1.00000
     28     -15.1971      1.00000
     29     -15.1688      1.00000
     30     -15.1142      1.00000
     31     -15.0273      1.00000
     32     -15.0026      1.00000
     33     -14.6358      1.00000
     34     -14.6241      1.00000
     35     -13.6669      1.00000
     36     -13.6517      1.00000
     37     -13.1693      1.00000
     38     -12.5505      1.00000
     39     -12.5176      1.00000
     40     -12.3905      1.00000
     41     -12.3775      1.00000
     42     -12.0569      1.00000
     43     -12.0342      1.00000
     44     -11.6585      1.00000
     45     -11.6169      1.00000
     46     -11.1801      1.00000
     47     -11.1567      1.00000
     48     -10.9641      1.00000
     49     -10.9404      1.00000
     50     -10.8727      1.00000
     51     -10.8370      1.00000
     52     -10.5996      1.00000
     53     -10.0926      1.00000
     54     -10.0881      1.00000
     55     -10.0448      1.00000
     56      -9.9696      1.00000
     57      -9.6535      1.00000
     58      -9.6289      1.00000
     59      -9.5916      1.00000
     60      -9.5290      1.00000
     61      -9.5106      1.00000
     62      -9.4790      1.00000
     63      -9.2634      1.00000
     64      -9.2409      1.00000
     65      -9.2204      1.00000
     66      -9.1662      1.00000
     67      -9.0680      1.00000
     68      -9.0466      1.00000
     69      -9.0409      1.00000
     70      -8.8821      1.00000
     71      -8.8062      1.00000
     72      -8.5753      1.00000
     73      -8.5223      1.00000
     74      -8.4563      1.00000
     75      -8.0350      1.00000
     76      -7.8098      1.00000
     77      -7.8063      1.00000
     78      -7.7924      1.00000
     79      -7.7002      1.00000
     80      -7.6908      1.00000
     81      -7.3668      1.00000
     82      -7.2730      1.00000
     83      -7.2646      1.00000
     84      -7.2167      1.00000
     85      -7.1725      1.00000
     86      -7.0089      1.00000
     87      -6.9475      1.00000
     88      -6.7448      1.00000
     89      -6.6717      1.00000
     90      -6.5943      1.00000
     91      -6.5593      1.00000
     92      -6.0503      1.00000
     93      -6.0458      1.00000
     94      -6.0212      1.00000
     95      -5.9592      1.00000
     96      -5.7360      1.00000
     97      -5.1502      1.00000
     98      -4.9871      1.00000
     99      -4.7175      1.00000
    100      -4.6110      1.00000
    101      -4.4386      1.00000
    102      -4.3728      1.00000
    103      -4.1208      1.00000
    104      -3.8674      1.00000
    105      -3.8256      1.00000
    106      -3.7903      1.00000
    107      -1.7856      0.00000
    108      -1.7390      0.00000
    109      -1.3945      0.00000
    110      -1.3464      0.00000
    111      -1.2654      0.00000
    112      -1.2264      0.00000
    113      -0.7455      0.00000
    114      -0.3800      0.00000
    115      -0.2209      0.00000
    116      -0.0201      0.00000
    117       0.5967      0.00000
    118       0.7402      0.00000
    119       0.7651      0.00000
    120       1.0504      0.00000
    121       1.1413      0.00000
    122       1.2513      0.00000
    123       1.2789      0.00000
    124       1.4229      0.00000
    125       1.4905      0.00000
    126       1.5999      0.00000
    127       1.7428      0.00000
    128       1.8391      0.00000
    129       1.8929      0.00000
    130       1.9619      0.00000
    131       2.0981      0.00000
    132       2.2542      0.00000
    133       2.2612      0.00000
    134       2.3185      0.00000
    135       2.5004      0.00000
    136       2.5827      0.00000
    137       2.6474      0.00000
    138       2.7739      0.00000
    139       2.7887      0.00000
    140       2.8113      0.00000
    141       2.8688      0.00000
    142       2.8856      0.00000
    143       2.9409      0.00000
    144       3.1121      0.00000
    145       3.2912      0.00000
    146       3.3014      0.00000
    147       3.3406      0.00000
    148       3.3665      0.00000
    149       3.4727      0.00000
    150       3.5657      0.00000
    151       3.6162      0.00000
    152       3.6755      0.00000
    153       3.7096      0.00000
    154       3.9171      0.00000
    155       3.9361      0.00000
    156       3.9912      0.00000
    157       4.0832      0.00000
    158       4.2077      0.00000
    159       4.2510      0.00000
    160       4.3017      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2131      1.00000
      2     -22.0072      1.00000
      3     -21.6484      1.00000
      4     -21.6117      1.00000
      5     -20.9121      1.00000
      6     -20.8662      1.00000
      7     -20.5448      1.00000
      8     -20.5058      1.00000
      9     -20.4955      1.00000
     10     -19.9630      1.00000
     11     -19.4417      1.00000
     12     -19.4148      1.00000
     13     -19.2412      1.00000
     14     -19.2268      1.00000
     15     -18.3833      1.00000
     16     -18.3396      1.00000
     17     -17.8595      1.00000
     18     -17.8386      1.00000
     19     -17.6972      1.00000
     20     -17.6551      1.00000
     21     -17.3717      1.00000
     22     -17.3558      1.00000
     23     -17.2741      1.00000
     24     -16.4009      1.00000
     25     -16.3862      1.00000
     26     -15.8960      1.00000
     27     -15.3521      1.00000
     28     -15.3368      1.00000
     29     -15.0343      1.00000
     30     -15.0205      1.00000
     31     -14.7992      1.00000
     32     -14.7747      1.00000
     33     -14.2215      1.00000
     34     -14.1897      1.00000
     35     -13.3705      1.00000
     36     -13.3371      1.00000
     37     -13.1195      1.00000
     38     -13.1022      1.00000
     39     -12.9157      1.00000
     40     -12.9024      1.00000
     41     -12.5564      1.00000
     42     -12.5386      1.00000
     43     -12.1329      1.00000
     44     -11.5210      1.00000
     45     -11.4738      1.00000
     46     -11.2530      1.00000
     47     -11.2197      1.00000
     48     -11.0792      1.00000
     49     -10.6566      1.00000
     50     -10.5887      1.00000
     51     -10.5212      1.00000
     52     -10.2573      1.00000
     53     -10.2489      1.00000
     54     -10.1219      1.00000
     55     -10.0487      1.00000
     56     -10.0410      1.00000
     57      -9.7683      1.00000
     58      -9.7046      1.00000
     59      -9.6798      1.00000
     60      -9.6306      1.00000
     61      -9.6264      1.00000
     62      -9.5874      1.00000
     63      -9.2941      1.00000
     64      -9.2850      1.00000
     65      -9.2531      1.00000
     66      -9.0846      1.00000
     67      -8.8969      1.00000
     68      -8.8834      1.00000
     69      -8.7243      1.00000
     70      -8.5869      1.00000
     71      -8.5140      1.00000
     72      -8.3304      1.00000
     73      -8.3020      1.00000
     74      -8.2640      1.00000
     75      -8.2328      1.00000
     76      -8.1953      1.00000
     77      -8.1863      1.00000
     78      -8.1708      1.00000
     79      -8.0978      1.00000
     80      -7.6879      1.00000
     81      -7.3590      1.00000
     82      -7.3105      1.00000
     83      -7.2657      1.00000
     84      -7.1870      1.00000
     85      -7.1257      1.00000
     86      -7.0766      1.00000
     87      -6.9066      1.00000
     88      -6.8824      1.00000
     89      -6.5495      1.00000
     90      -6.4926      1.00000
     91      -6.2099      1.00000
     92      -6.0676      1.00000
     93      -5.9404      1.00000
     94      -5.7127      1.00000
     95      -5.6324      1.00000
     96      -5.4513      1.00000
     97      -5.3039      1.00000
     98      -5.2339      1.00000
     99      -5.1521      1.00000
    100      -5.1515      1.00000
    101      -4.5189      1.00000
    102      -4.4696      1.00000
    103      -4.1391      1.00000
    104      -3.8286      1.00000
    105      -3.7566      1.00000
    106      -3.6805      1.00000
    107      -1.8713      0.00000
    108      -1.8245      0.00000
    109      -1.2768      0.00000
    110      -1.0365      0.00000
    111      -1.0123      0.00000
    112      -0.7129      0.00000
    113      -0.6404      0.00000
    114      -0.5888      0.00000
    115      -0.5466      0.00000
    116      -0.2046      0.00000
    117       0.2517      0.00000
    118       0.2781      0.00000
    119       0.7699      0.00000
    120       0.9512      0.00000
    121       1.1362      0.00000
    122       1.2323      0.00000
    123       1.3242      0.00000
    124       1.4181      0.00000
    125       1.6120      0.00000
    126       1.6353      0.00000
    127       1.7217      0.00000
    128       1.8179      0.00000
    129       1.9349      0.00000
    130       2.0345      0.00000
    131       2.0621      0.00000
    132       2.2814      0.00000
    133       2.3999      0.00000
    134       2.4507      0.00000
    135       2.5539      0.00000
    136       2.6459      0.00000
    137       2.7059      0.00000
    138       2.7735      0.00000
    139       2.8462      0.00000
    140       2.8907      0.00000
    141       3.0453      0.00000
    142       3.1041      0.00000
    143       3.2061      0.00000
    144       3.2488      0.00000
    145       3.3940      0.00000
    146       3.4310      0.00000
    147       3.4995      0.00000
    148       3.5816      0.00000
    149       3.6089      0.00000
    150       3.6320      0.00000
    151       3.6546      0.00000
    152       3.7360      0.00000
    153       3.7501      0.00000
    154       3.7608      0.00000
    155       3.8034      0.00000
    156       3.9011      0.00000
    157       3.9915      0.00000
    158       4.0161      0.00000
    159       4.1881      0.00000
    160       4.2211      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2470      1.00000
      2     -21.8926      1.00000
      3     -21.8227      1.00000
      4     -21.3108      1.00000
      5     -21.2809      1.00000
      6     -20.7696      1.00000
      7     -20.7042      1.00000
      8     -20.5555      1.00000
      9     -20.0083      1.00000
     10     -20.0006      1.00000
     11     -19.6472      1.00000
     12     -19.6231      1.00000
     13     -18.9290      1.00000
     14     -18.9202      1.00000
     15     -18.5701      1.00000
     16     -18.5561      1.00000
     17     -18.3933      1.00000
     18     -17.6140      1.00000
     19     -17.5583      1.00000
     20     -17.5530      1.00000
     21     -17.5117      1.00000
     22     -17.0553      1.00000
     23     -17.0377      1.00000
     24     -16.8912      1.00000
     25     -15.9293      1.00000
     26     -15.8667      1.00000
     27     -15.5156      1.00000
     28     -15.5152      1.00000
     29     -15.2279      1.00000
     30     -14.7940      1.00000
     31     -14.7667      1.00000
     32     -14.5146      1.00000
     33     -14.4708      1.00000
     34     -14.1014      1.00000
     35     -14.0904      1.00000
     36     -13.0760      1.00000
     37     -13.0321      1.00000
     38     -12.9662      1.00000
     39     -12.9545      1.00000
     40     -12.6450      1.00000
     41     -12.6380      1.00000
     42     -12.2734      1.00000
     43     -12.2423      1.00000
     44     -11.5865      1.00000
     45     -11.5604      1.00000
     46     -11.5062      1.00000
     47     -10.9030      1.00000
     48     -10.8507      1.00000
     49     -10.6185      1.00000
     50     -10.5588      1.00000
     51     -10.4836      1.00000
     52     -10.4334      1.00000
     53     -10.4233      1.00000
     54     -10.3708      1.00000
     55     -10.2931      1.00000
     56     -10.0638      1.00000
     57      -9.8328      1.00000
     58      -9.5474      1.00000
     59      -9.4878      1.00000
     60      -9.4681      1.00000
     61      -9.3460      1.00000
     62      -9.3305      1.00000
     63      -9.3102      1.00000
     64      -9.3078      1.00000
     65      -9.2136      1.00000
     66      -9.1115      1.00000
     67      -9.0804      1.00000
     68      -9.0498      1.00000
     69      -8.8461      1.00000
     70      -8.7927      1.00000
     71      -8.7738      1.00000
     72      -8.5267      1.00000
     73      -8.4738      1.00000
     74      -8.2192      1.00000
     75      -8.1097      1.00000
     76      -8.0995      1.00000
     77      -7.8062      1.00000
     78      -7.7822      1.00000
     79      -7.7814      1.00000
     80      -7.6727      1.00000
     81      -7.6319      1.00000
     82      -7.6301      1.00000
     83      -7.4028      1.00000
     84      -7.3241      1.00000
     85      -7.2049      1.00000
     86      -6.8393      1.00000
     87      -6.8293      1.00000
     88      -6.6584      1.00000
     89      -6.5384      1.00000
     90      -6.3440      1.00000
     91      -6.3065      1.00000
     92      -6.1842      1.00000
     93      -6.1473      1.00000
     94      -5.9771      1.00000
     95      -5.5711      1.00000
     96      -5.4255      1.00000
     97      -5.2585      1.00000
     98      -5.2446      1.00000
     99      -5.1488      1.00000
    100      -4.6949      1.00000
    101      -4.6648      1.00000
    102      -4.3495      1.00000
    103      -4.3115      1.00000
    104      -3.9623      1.00000
    105      -3.8209      1.00000
    106      -3.3907      1.00000
    107      -2.2206      0.00000
    108      -1.3766      0.00000
    109      -1.2867      0.00000
    110      -1.1739      0.00000
    111      -1.0781      0.00000
    112      -0.8942      0.00000
    113      -0.7688      0.00000
    114      -0.7576      0.00000
    115      -0.2206      0.00000
    116       0.1126      0.00000
    117       0.2630      0.00000
    118       0.3454      0.00000
    119       0.7443      0.00000
    120       0.9052      0.00000
    121       0.9730      0.00000
    122       1.1005      0.00000
    123       1.2158      0.00000
    124       1.5380      0.00000
    125       1.5875      0.00000
    126       1.7202      0.00000
    127       1.8389      0.00000
    128       1.8622      0.00000
    129       1.9417      0.00000
    130       2.0275      0.00000
    131       2.1467      0.00000
    132       2.2925      0.00000
    133       2.4030      0.00000
    134       2.4665      0.00000
    135       2.4782      0.00000
    136       2.6664      0.00000
    137       2.6864      0.00000
    138       2.7477      0.00000
    139       2.7516      0.00000
    140       2.9037      0.00000
    141       3.0370      0.00000
    142       3.0925      0.00000
    143       3.1662      0.00000
    144       3.2076      0.00000
    145       3.2534      0.00000
    146       3.2764      0.00000
    147       3.3621      0.00000
    148       3.4923      0.00000
    149       3.5520      0.00000
    150       3.7121      0.00000
    151       3.7619      0.00000
    152       3.7704      0.00000
    153       3.8268      0.00000
    154       3.8939      0.00000
    155       3.9623      0.00000
    156       3.9732      0.00000
    157       3.9997      0.00000
    158       4.0315      0.00000
    159       4.0357      0.00000
    160       4.1154      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1406      1.00000
      2     -22.0464      1.00000
      3     -21.8861      1.00000
      4     -21.3340      1.00000
      5     -20.9809      1.00000
      6     -20.9428      1.00000
      7     -20.4325      1.00000
      8     -20.3903      1.00000
      9     -20.2260      1.00000
     10     -20.2048      1.00000
     11     -19.8883      1.00000
     12     -19.8212      1.00000
     13     -18.8140      1.00000
     14     -18.7436      1.00000
     15     -18.2890      1.00000
     16     -18.2362      1.00000
     17     -18.0853      1.00000
     18     -18.0656      1.00000
     19     -17.7608      1.00000
     20     -17.7190      1.00000
     21     -17.1883      1.00000
     22     -17.1698      1.00000
     23     -17.0994      1.00000
     24     -17.0635      1.00000
     25     -16.0374      1.00000
     26     -15.8224      1.00000
     27     -15.7993      1.00000
     28     -15.7643      1.00000
     29     -15.1734      1.00000
     30     -14.4906      1.00000
     31     -14.4583      1.00000
     32     -14.2176      1.00000
     33     -13.8948      1.00000
     34     -13.8898      1.00000
     35     -13.7557      1.00000
     36     -13.7357      1.00000
     37     -13.5511      1.00000
     38     -13.5031      1.00000
     39     -13.2995      1.00000
     40     -12.5639      1.00000
     41     -12.1244      1.00000
     42     -12.0661      1.00000
     43     -12.0093      1.00000
     44     -11.9514      1.00000
     45     -11.6104      1.00000
     46     -11.5880      1.00000
     47     -11.0844      1.00000
     48     -11.0520      1.00000
     49     -10.7514      1.00000
     50     -10.6640      1.00000
     51     -10.5222      1.00000
     52     -10.1481      1.00000
     53     -10.1382      1.00000
     54     -10.0959      1.00000
     55      -9.9528      1.00000
     56      -9.9472      1.00000
     57      -9.9170      1.00000
     58      -9.7374      1.00000
     59      -9.7310      1.00000
     60      -9.7006      1.00000
     61      -9.6905      1.00000
     62      -9.4272      1.00000
     63      -9.3627      1.00000
     64      -9.0839      1.00000
     65      -9.0064      1.00000
     66      -8.9746      1.00000
     67      -8.8879      1.00000
     68      -8.8109      1.00000
     69      -8.6572      1.00000
     70      -8.6348      1.00000
     71      -8.5763      1.00000
     72      -8.4783      1.00000
     73      -8.4673      1.00000
     74      -8.3979      1.00000
     75      -8.3944      1.00000
     76      -8.1833      1.00000
     77      -8.1123      1.00000
     78      -7.9770      1.00000
     79      -7.9134      1.00000
     80      -7.8467      1.00000
     81      -7.6156      1.00000
     82      -7.5304      1.00000
     83      -7.4692      1.00000
     84      -7.2638      1.00000
     85      -6.9341      1.00000
     86      -6.8580      1.00000
     87      -6.8115      1.00000
     88      -6.5713      1.00000
     89      -6.4665      1.00000
     90      -6.4208      1.00000
     91      -6.3567      1.00000
     92      -6.0494      1.00000
     93      -5.8762      1.00000
     94      -5.7524      1.00000
     95      -5.7215      1.00000
     96      -5.4748      1.00000
     97      -5.3447      1.00000
     98      -5.1800      1.00000
     99      -5.1560      1.00000
    100      -5.1546      1.00000
    101      -4.7061      1.00000
    102      -4.4403      1.00000
    103      -4.2523      1.00000
    104      -3.9932      1.00000
    105      -3.8197      1.00000
    106      -3.1571      1.00000
    107      -2.4636      0.00000
    108      -1.3783      0.00000
    109      -1.2415      0.00000
    110      -1.1467      0.00000
    111      -1.1152      0.00000
    112      -0.5644      0.00000
    113      -0.4352      0.00000
    114      -0.4305      0.00000
    115      -0.3108      0.00000
    116      -0.1910      0.00000
    117       0.0613      0.00000
    118       0.1157      0.00000
    119       0.5398      0.00000
    120       0.6834      0.00000
    121       0.8806      0.00000
    122       0.9786      0.00000
    123       1.1202      0.00000
    124       1.5047      0.00000
    125       1.6770      0.00000
    126       1.8333      0.00000
    127       1.8927      0.00000
    128       2.0800      0.00000
    129       2.1160      0.00000
    130       2.1660      0.00000
    131       2.2188      0.00000
    132       2.3272      0.00000
    133       2.3404      0.00000
    134       2.4817      0.00000
    135       2.5632      0.00000
    136       2.6860      0.00000
    137       2.8890      0.00000
    138       2.9379      0.00000
    139       2.9767      0.00000
    140       2.9918      0.00000
    141       3.0505      0.00000
    142       3.1380      0.00000
    143       3.1649      0.00000
    144       3.2500      0.00000
    145       3.3033      0.00000
    146       3.3417      0.00000
    147       3.3538      0.00000
    148       3.3881      0.00000
    149       3.4194      0.00000
    150       3.5102      0.00000
    151       3.5613      0.00000
    152       3.6198      0.00000
    153       3.6509      0.00000
    154       3.7003      0.00000
    155       3.7242      0.00000
    156       3.9311      0.00000
    157       3.9404      0.00000
    158       4.0733      0.00000
    159       4.1143      0.00000
    160       4.2222      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2468      1.00000
      2     -21.8941      1.00000
      3     -21.8212      1.00000
      4     -21.3154      1.00000
      5     -21.2770      1.00000
      6     -20.7706      1.00000
      7     -20.7022      1.00000
      8     -20.5539      1.00000
      9     -20.0220      1.00000
     10     -19.9900      1.00000
     11     -19.6497      1.00000
     12     -19.6189      1.00000
     13     -18.9426      1.00000
     14     -18.9083      1.00000
     15     -18.5833      1.00000
     16     -18.5464      1.00000
     17     -18.3916      1.00000
     18     -17.6011      1.00000
     19     -17.5702      1.00000
     20     -17.5410      1.00000
     21     -17.5083      1.00000
     22     -17.0737      1.00000
     23     -17.0274      1.00000
     24     -16.8998      1.00000
     25     -15.9451      1.00000
     26     -15.8506      1.00000
     27     -15.5326      1.00000
     28     -15.5063      1.00000
     29     -15.2090      1.00000
     30     -14.8131      1.00000
     31     -14.7613      1.00000
     32     -14.5091      1.00000
     33     -14.4677      1.00000
     34     -14.0958      1.00000
     35     -14.0927      1.00000
     36     -13.1041      1.00000
     37     -13.0291      1.00000
     38     -12.9565      1.00000
     39     -12.9494      1.00000
     40     -12.6552      1.00000
     41     -12.6273      1.00000
     42     -12.2736      1.00000
     43     -12.2466      1.00000
     44     -11.5725      1.00000
     45     -11.5533      1.00000
     46     -11.5002      1.00000
     47     -10.8773      1.00000
     48     -10.8679      1.00000
     49     -10.6784      1.00000
     50     -10.5252      1.00000
     51     -10.5191      1.00000
     52     -10.4331      1.00000
     53     -10.4157      1.00000
     54     -10.3699      1.00000
     55     -10.2877      1.00000
     56     -10.0592      1.00000
     57      -9.8317      1.00000
     58      -9.5579      1.00000
     59      -9.4846      1.00000
     60      -9.4428      1.00000
     61      -9.3551      1.00000
     62      -9.3391      1.00000
     63      -9.3077      1.00000
     64      -9.3023      1.00000
     65      -9.2054      1.00000
     66      -9.0991      1.00000
     67      -9.0684      1.00000
     68      -9.0489      1.00000
     69      -8.8487      1.00000
     70      -8.7964      1.00000
     71      -8.7775      1.00000
     72      -8.5263      1.00000
     73      -8.4947      1.00000
     74      -8.2241      1.00000
     75      -8.1291      1.00000
     76      -8.0928      1.00000
     77      -7.8061      1.00000
     78      -7.7674      1.00000
     79      -7.7395      1.00000
     80      -7.7016      1.00000
     81      -7.6356      1.00000
     82      -7.6245      1.00000
     83      -7.3887      1.00000
     84      -7.3444      1.00000
     85      -7.2237      1.00000
     86      -6.8435      1.00000
     87      -6.8208      1.00000
     88      -6.6373      1.00000
     89      -6.5290      1.00000
     90      -6.3416      1.00000
     91      -6.2719      1.00000
     92      -6.1949      1.00000
     93      -6.1320      1.00000
     94      -6.0195      1.00000
     95      -5.6333      1.00000
     96      -5.5075      1.00000
     97      -5.2974      1.00000
     98      -5.1559      1.00000
     99      -5.0387      1.00000
    100      -4.7243      1.00000
    101      -4.6852      1.00000
    102      -4.3679      1.00000
    103      -4.1829      1.00000
    104      -4.0060      1.00000
    105      -3.8193      1.00000
    106      -3.4847      1.00000
    107      -2.1652      0.00000
    108      -1.3830      0.00000
    109      -1.2361      0.00000
    110      -1.1857      0.00000
    111      -1.0141      0.00000
    112      -0.9563      0.00000
    113      -0.7980      0.00000
    114      -0.7528      0.00000
    115      -0.3671      0.00000
    116       0.2448      0.00000
    117       0.2761      0.00000
    118       0.3634      0.00000
    119       0.7101      0.00000
    120       0.8693      0.00000
    121       0.9655      0.00000
    122       1.1333      0.00000
    123       1.2461      0.00000
    124       1.4612      0.00000
    125       1.5816      0.00000
    126       1.7840      0.00000
    127       1.8460      0.00000
    128       1.8716      0.00000
    129       2.0003      0.00000
    130       2.0378      0.00000
    131       2.1814      0.00000
    132       2.2336      0.00000
    133       2.3945      0.00000
    134       2.4215      0.00000
    135       2.5081      0.00000
    136       2.6597      0.00000
    137       2.6845      0.00000
    138       2.7422      0.00000
    139       2.7771      0.00000
    140       2.8731      0.00000
    141       2.9864      0.00000
    142       3.0887      0.00000
    143       3.1548      0.00000
    144       3.2045      0.00000
    145       3.2620      0.00000
    146       3.2945      0.00000
    147       3.3320      0.00000
    148       3.4925      0.00000
    149       3.5331      0.00000
    150       3.7155      0.00000
    151       3.7382      0.00000
    152       3.7709      0.00000
    153       3.8643      0.00000
    154       3.8779      0.00000
    155       3.9036      0.00000
    156       3.9633      0.00000
    157       4.0059      0.00000
    158       4.0350      0.00000
    159       4.0425      0.00000
    160       4.0912      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3189      1.00000
      2     -21.7606      1.00000
      3     -21.5671      1.00000
      4     -21.5402      1.00000
      5     -21.2042      1.00000
      6     -21.1657      1.00000
      7     -20.9853      1.00000
      8     -20.0979      1.00000
      9     -20.0595      1.00000
     10     -19.5455      1.00000
     11     -19.5257      1.00000
     12     -19.3444      1.00000
     13     -19.0273      1.00000
     14     -18.9878      1.00000
     15     -18.9771      1.00000
     16     -18.9716      1.00000
     17     -18.2954      1.00000
     18     -18.2822      1.00000
     19     -17.9460      1.00000
     20     -16.9997      1.00000
     21     -16.9594      1.00000
     22     -16.8823      1.00000
     23     -16.8696      1.00000
     24     -16.4156      1.00000
     25     -16.3930      1.00000
     26     -15.5403      1.00000
     27     -15.5370      1.00000
     28     -15.1726      1.00000
     29     -15.1709      1.00000
     30     -15.1304      1.00000
     31     -15.0361      1.00000
     32     -15.0009      1.00000
     33     -14.6330      1.00000
     34     -14.6261      1.00000
     35     -13.6624      1.00000
     36     -13.6526      1.00000
     37     -13.1708      1.00000
     38     -12.5724      1.00000
     39     -12.5132      1.00000
     40     -12.3854      1.00000
     41     -12.3848      1.00000
     42     -12.0352      1.00000
     43     -12.0311      1.00000
     44     -11.6542      1.00000
     45     -11.6144      1.00000
     46     -11.2054      1.00000
     47     -11.1569      1.00000
     48     -10.9546      1.00000
     49     -10.9422      1.00000
     50     -10.8599      1.00000
     51     -10.8280      1.00000
     52     -10.6212      1.00000
     53     -10.1451      1.00000
     54     -10.0842      1.00000
     55     -10.0250      1.00000
     56      -9.9444      1.00000
     57      -9.6309      1.00000
     58      -9.6291      1.00000
     59      -9.6025      1.00000
     60      -9.5400      1.00000
     61      -9.5034      1.00000
     62      -9.4790      1.00000
     63      -9.2714      1.00000
     64      -9.2354      1.00000
     65      -9.2067      1.00000
     66      -9.1793      1.00000
     67      -9.0621      1.00000
     68      -9.0470      1.00000
     69      -9.0435      1.00000
     70      -8.8765      1.00000
     71      -8.8084      1.00000
     72      -8.5333      1.00000
     73      -8.5327      1.00000
     74      -8.4966      1.00000
     75      -8.0311      1.00000
     76      -7.8316      1.00000
     77      -7.7979      1.00000
     78      -7.7740      1.00000
     79      -7.7034      1.00000
     80      -7.6845      1.00000
     81      -7.4172      1.00000
     82      -7.2878      1.00000
     83      -7.2519      1.00000
     84      -7.2020      1.00000
     85      -7.0800      1.00000
     86      -7.0781      1.00000
     87      -6.9383      1.00000
     88      -6.7097      1.00000
     89      -6.6734      1.00000
     90      -6.6291      1.00000
     91      -6.5574      1.00000
     92      -6.0712      1.00000
     93      -6.0311      1.00000
     94      -6.0005      1.00000
     95      -5.9379      1.00000
     96      -5.7984      1.00000
     97      -5.1768      1.00000
     98      -4.8918      1.00000
     99      -4.7922      1.00000
    100      -4.6110      1.00000
    101      -4.5122      1.00000
    102      -4.1384      1.00000
    103      -4.0908      1.00000
    104      -3.9313      1.00000
    105      -3.9152      1.00000
    106      -3.8187      1.00000
    107      -1.7522      0.00000
    108      -1.6969      0.00000
    109      -1.4101      0.00000
    110      -1.3716      0.00000
    111      -1.2652      0.00000
    112      -1.2362      0.00000
    113      -0.6244      0.00000
    114      -0.5991      0.00000
    115      -0.1904      0.00000
    116       0.0408      0.00000
    117       0.5927      0.00000
    118       0.7428      0.00000
    119       0.8488      0.00000
    120       0.9293      0.00000
    121       1.1669      0.00000
    122       1.2158      0.00000
    123       1.2496      0.00000
    124       1.4363      0.00000
    125       1.6029      0.00000
    126       1.6511      0.00000
    127       1.7177      0.00000
    128       1.7805      0.00000
    129       1.9177      0.00000
    130       1.9394      0.00000
    131       2.1486      0.00000
    132       2.1877      0.00000
    133       2.2665      0.00000
    134       2.3207      0.00000
    135       2.5600      0.00000
    136       2.5883      0.00000
    137       2.5920      0.00000
    138       2.7648      0.00000
    139       2.7897      0.00000
    140       2.7992      0.00000
    141       2.8936      0.00000
    142       2.9180      0.00000
    143       3.0294      0.00000
    144       3.0513      0.00000
    145       3.1158      0.00000
    146       3.3030      0.00000
    147       3.3208      0.00000
    148       3.3868      0.00000
    149       3.4828      0.00000
    150       3.5805      0.00000
    151       3.6421      0.00000
    152       3.6578      0.00000
    153       3.6830      0.00000
    154       3.9036      0.00000
    155       3.9784      0.00000
    156       4.0185      0.00000
    157       4.0917      0.00000
    158       4.2448      0.00000
    159       4.2616      0.00000
    160       4.2706      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1396      1.00000
      2     -22.0479      1.00000
      3     -21.8856      1.00000
      4     -21.3349      1.00000
      5     -20.9760      1.00000
      6     -20.9469      1.00000
      7     -20.4273      1.00000
      8     -20.3956      1.00000
      9     -20.2158      1.00000
     10     -20.2136      1.00000
     11     -19.8871      1.00000
     12     -19.8238      1.00000
     13     -18.8169      1.00000
     14     -18.7467      1.00000
     15     -18.2654      1.00000
     16     -18.2513      1.00000
     17     -18.0801      1.00000
     18     -18.0732      1.00000
     19     -17.7456      1.00000
     20     -17.7298      1.00000
     21     -17.1946      1.00000
     22     -17.1712      1.00000
     23     -17.0887      1.00000
     24     -17.0678      1.00000
     25     -16.0535      1.00000
     26     -15.8080      1.00000
     27     -15.7986      1.00000
     28     -15.7774      1.00000
     29     -15.1591      1.00000
     30     -14.4851      1.00000
     31     -14.4640      1.00000
     32     -14.2041      1.00000
     33     -13.9160      1.00000
     34     -13.8866      1.00000
     35     -13.7590      1.00000
     36     -13.7387      1.00000
     37     -13.5361      1.00000
     38     -13.5101      1.00000
     39     -13.3010      1.00000
     40     -12.5762      1.00000
     41     -12.1010      1.00000
     42     -12.0768      1.00000
     43     -11.9981      1.00000
     44     -11.9506      1.00000
     45     -11.6054      1.00000
     46     -11.5979      1.00000
     47     -11.0841      1.00000
     48     -11.0607      1.00000
     49     -10.7312      1.00000
     50     -10.6643      1.00000
     51     -10.5540      1.00000
     52     -10.1396      1.00000
     53     -10.1350      1.00000
     54     -10.1005      1.00000
     55      -9.9658      1.00000
     56      -9.9255      1.00000
     57      -9.9213      1.00000
     58      -9.7506      1.00000
     59      -9.7292      1.00000
     60      -9.6975      1.00000
     61      -9.6945      1.00000
     62      -9.3991      1.00000
     63      -9.3888      1.00000
     64      -9.0672      1.00000
     65      -8.9817      1.00000
     66      -8.9816      1.00000
     67      -8.9053      1.00000
     68      -8.8118      1.00000
     69      -8.6495      1.00000
     70      -8.6337      1.00000
     71      -8.5456      1.00000
     72      -8.5012      1.00000
     73      -8.4827      1.00000
     74      -8.3942      1.00000
     75      -8.3828      1.00000
     76      -8.2086      1.00000
     77      -8.1005      1.00000
     78      -8.0063      1.00000
     79      -7.9009      1.00000
     80      -7.8429      1.00000
     81      -7.6210      1.00000
     82      -7.5333      1.00000
     83      -7.4565      1.00000
     84      -7.2598      1.00000
     85      -6.9425      1.00000
     86      -6.8694      1.00000
     87      -6.8105      1.00000
     88      -6.4775      1.00000
     89      -6.4684      1.00000
     90      -6.4096      1.00000
     91      -6.3596      1.00000
     92      -6.1840      1.00000
     93      -5.8577      1.00000
     94      -5.7375      1.00000
     95      -5.7111      1.00000
     96      -5.5208      1.00000
     97      -5.3285      1.00000
     98      -5.1722      1.00000
     99      -5.1674      1.00000
    100      -5.1339      1.00000
    101      -4.6954      1.00000
    102      -4.3489      1.00000
    103      -4.2766      1.00000
    104      -4.0254      1.00000
    105      -3.8207      1.00000
    106      -3.2335      1.00000
    107      -2.4062      0.00000
    108      -1.3447      0.00000
    109      -1.2442      0.00000
    110      -1.1542      0.00000
    111      -1.1088      0.00000
    112      -0.5834      0.00000
    113      -0.5220      0.00000
    114      -0.4346      0.00000
    115      -0.2751      0.00000
    116      -0.0720      0.00000
    117      -0.0119      0.00000
    118       0.0591      0.00000
    119       0.5836      0.00000
    120       0.7099      0.00000
    121       0.8188      0.00000
    122       0.9529      0.00000
    123       1.1932      0.00000
    124       1.5295      0.00000
    125       1.6294      0.00000
    126       1.8818      0.00000
    127       2.0212      0.00000
    128       2.0584      0.00000
    129       2.0886      0.00000
    130       2.1356      0.00000
    131       2.2251      0.00000
    132       2.2864      0.00000
    133       2.3376      0.00000
    134       2.4284      0.00000
    135       2.6099      0.00000
    136       2.7135      0.00000
    137       2.8457      0.00000
    138       2.9144      0.00000
    139       2.9438      0.00000
    140       3.0143      0.00000
    141       3.0527      0.00000
    142       3.1262      0.00000
    143       3.1742      0.00000
    144       3.2220      0.00000
    145       3.3081      0.00000
    146       3.3210      0.00000
    147       3.3609      0.00000
    148       3.3799      0.00000
    149       3.4336      0.00000
    150       3.4550      0.00000
    151       3.5623      0.00000
    152       3.6088      0.00000
    153       3.6543      0.00000
    154       3.6991      0.00000
    155       3.8687      0.00000
    156       3.9057      0.00000
    157       3.9453      0.00000
    158       3.9655      0.00000
    159       4.1759      0.00000
    160       4.2046      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2127      1.00000
      2     -22.0079      1.00000
      3     -21.6457      1.00000
      4     -21.6148      1.00000
      5     -20.9092      1.00000
      6     -20.8690      1.00000
      7     -20.5386      1.00000
      8     -20.5064      1.00000
      9     -20.4996      1.00000
     10     -19.9621      1.00000
     11     -19.4403      1.00000
     12     -19.4186      1.00000
     13     -19.2396      1.00000
     14     -19.2327      1.00000
     15     -18.3757      1.00000
     16     -18.3410      1.00000
     17     -17.8585      1.00000
     18     -17.8427      1.00000
     19     -17.6909      1.00000
     20     -17.6554      1.00000
     21     -17.3720      1.00000
     22     -17.3580      1.00000
     23     -17.2672      1.00000
     24     -16.4131      1.00000
     25     -16.3898      1.00000
     26     -15.9045      1.00000
     27     -15.3433      1.00000
     28     -15.3383      1.00000
     29     -15.0308      1.00000
     30     -15.0212      1.00000
     31     -14.7764      1.00000
     32     -14.7741      1.00000
     33     -14.2373      1.00000
     34     -14.1871      1.00000
     35     -13.3873      1.00000
     36     -13.3335      1.00000
     37     -13.1110      1.00000
     38     -13.1029      1.00000
     39     -12.9175      1.00000
     40     -12.9120      1.00000
     41     -12.5453      1.00000
     42     -12.5376      1.00000
     43     -12.1335      1.00000
     44     -11.5131      1.00000
     45     -11.4692      1.00000
     46     -11.2443      1.00000
     47     -11.2131      1.00000
     48     -11.0861      1.00000
     49     -10.7023      1.00000
     50     -10.5954      1.00000
     51     -10.5073      1.00000
     52     -10.2516      1.00000
     53     -10.2473      1.00000
     54     -10.1206      1.00000
     55     -10.0539      1.00000
     56     -10.0392      1.00000
     57      -9.7836      1.00000
     58      -9.6869      1.00000
     59      -9.6735      1.00000
     60      -9.6380      1.00000
     61      -9.6282      1.00000
     62      -9.5857      1.00000
     63      -9.2955      1.00000
     64      -9.2837      1.00000
     65      -9.2528      1.00000
     66      -9.0618      1.00000
     67      -8.8949      1.00000
     68      -8.8839      1.00000
     69      -8.7184      1.00000
     70      -8.5788      1.00000
     71      -8.5260      1.00000
     72      -8.3498      1.00000
     73      -8.3044      1.00000
     74      -8.2434      1.00000
     75      -8.2378      1.00000
     76      -8.1946      1.00000
     77      -8.1820      1.00000
     78      -8.1696      1.00000
     79      -8.1046      1.00000
     80      -7.6888      1.00000
     81      -7.4219      1.00000
     82      -7.3434      1.00000
     83      -7.2600      1.00000
     84      -7.1690      1.00000
     85      -7.1097      1.00000
     86      -7.0057      1.00000
     87      -6.9034      1.00000
     88      -6.8487      1.00000
     89      -6.5420      1.00000
     90      -6.4990      1.00000
     91      -6.2068      1.00000
     92      -6.2016      1.00000
     93      -5.8944      1.00000
     94      -5.6721      1.00000
     95      -5.6056      1.00000
     96      -5.5800      1.00000
     97      -5.2532      1.00000
     98      -5.2309      1.00000
     99      -5.1647      1.00000
    100      -5.1347      1.00000
    101      -4.5985      1.00000
    102      -4.2471      1.00000
    103      -4.0418      1.00000
    104      -3.8845      1.00000
    105      -3.8359      1.00000
    106      -3.7987      1.00000
    107      -1.8086      0.00000
    108      -1.7816      0.00000
    109      -1.2245      0.00000
    110      -1.1758      0.00000
    111      -0.9746      0.00000
    112      -0.7347      0.00000
    113      -0.6507      0.00000
    114      -0.5945      0.00000
    115      -0.5501      0.00000
    116      -0.1547      0.00000
    117       0.1755      0.00000
    118       0.2874      0.00000
    119       0.7154      0.00000
    120       0.9579      0.00000
    121       1.1708      0.00000
    122       1.2773      0.00000
    123       1.3544      0.00000
    124       1.5245      0.00000
    125       1.6170      0.00000
    126       1.6366      0.00000
    127       1.6957      0.00000
    128       1.7798      0.00000
    129       1.8741      0.00000
    130       2.0387      0.00000
    131       2.1634      0.00000
    132       2.2842      0.00000
    133       2.4198      0.00000
    134       2.4199      0.00000
    135       2.5746      0.00000
    136       2.6392      0.00000
    137       2.6947      0.00000
    138       2.6970      0.00000
    139       2.7691      0.00000
    140       2.9115      0.00000
    141       3.0555      0.00000
    142       3.0736      0.00000
    143       3.2004      0.00000
    144       3.2899      0.00000
    145       3.4028      0.00000
    146       3.4192      0.00000
    147       3.4637      0.00000
    148       3.5462      0.00000
    149       3.5827      0.00000
    150       3.6407      0.00000
    151       3.6724      0.00000
    152       3.7010      0.00000
    153       3.7516      0.00000
    154       3.7548      0.00000
    155       3.8400      0.00000
    156       3.9117      0.00000
    157       3.9139      0.00000
    158       3.9798      0.00000
    159       4.1998      0.00000
    160       4.2373      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0401   -7.2582    3.9829   -1.1312   -0.1848   17.3743    0.4906   -0.8148    0.7704   -0.4760
x    -3.1261   -0.0251   -0.0205   -0.0264    0.0911   -3.0542    0.0305   -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   204.0401    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   -0.0035    0.0000    0.0004    0.0007    0.0028   -0.0985   -0.0313    0.0615    0.0186
y     0.0230   -3.2427   -0.1791    0.1692   -2.4146   -0.6651
z   204.0401    1.7444    0.2924    0.0885    0.0005    0.0706   -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    0.0986    0.0006   -0.0010   -0.0001   -0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0012   -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  -16.5898
z     0.1475    0.2355   -0.0299    0.0570   -0.0952    0.0006
 total charge-density along one line
x   212.0000  -10.0897    5.9302   -1.9402   -0.4204   19.2931   -0.6591    0.2078    0.0651   -0.1051
x    -2.7065   -0.0088    0.0020   -0.0457    0.0973   -2.3458    0.0480   -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  -10.0897    5.9302   -1.9402   -0.4204   19.2931   -0.6591    0.2078    0.0651   -0.1051
y    -2.7065   -0.0088    0.0020   -0.0457    0.0973   -2.3458    0.0480   -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 -205.3221  188.9047 -170.1696  154.0156 -140.2686  126.3350 -110.8548   94.5910  -78.9335
z    64.5837  -51.6699   40.4441  -31.3800   24.6372  -19.7091   15.7356  -12.1278    8.8523   -6.1778
z     4.2486   -2.9218    1.9358   -1.1392    0.5344   -0.1509   -0.0631    0.2156   -0.3703    0.5034
z    -0.5567    0.5171   -0.4332    0.3657   -0.3342    0.3163   -0.2846    0.2369   -0.1899    0.1566
z    -0.1347    0.1144   -0.0919    0.0713   -0.0575    0.0499   -0.0440    0.0369   -0.0295    0.0239
z    -0.0208    0.0186   -0.0159    0.0129   -0.0103    0.0084   -0.0068    0.0053   -0.0039    0.0028
z    -0.0020    0.0012   -0.0004   -0.0002    0.0004   -0.0004    0.0004   -0.0006    0.0007   -0.0006
z     0.0004   -0.0002    0.0001    0.0000    0.0000    0.0001   -0.0002    0.0003   -0.0003    0.0003
z    -0.0002    0.0002   -0.0002    0.0001   -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0000   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.937   0.000   0.042   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.266   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 -11.148   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.934   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  -0.025   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
-10.937   0.000   0.042   0.000   0.002   0.199   0.000  -0.006
  0.000 -11.266   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 -11.148   0.000   0.000   0.012   0.000
  0.002   0.000  -0.024   0.000 -10.934   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  -0.025   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   0.023   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   0.596   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   0.353   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
  0.023   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   0.109   0.000   0.000   0.000   0.058   0.000   0.066  -0.011
  0.058   0.000   0.353   0.000  -0.036   0.102   0.000   0.557   0.000  -0.058   0.698  -0.290   0.000   0.089   0.000   0.000
  0.000   0.262   0.000   0.294   0.000   0.000   0.109   0.000   0.205   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   0.698   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  -0.035   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   0.043   0.000   0.012  -0.004
  0.000   0.000   0.097   0.000   0.003   0.116   0.000   0.089   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  -0.018   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
  0.001   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   2.647
  9        0.864   1.783   0.000   2.646
 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   2.646
 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   1.783   0.000   2.647
 52        0.864   1.782   0.000   2.646
 53        0.864   1.782   0.000   2.646
------------------------------------------------
tot       44.832  89.428   8.027 142.287
 


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


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


    CHARGE:  VPU time  113.77: CPU time   57.51
    FORLOC:  VPU time    1.26: CPU time    1.26
    FORNL :  VPU time  442.11: CPU time  221.58
    STRESS:  VPU time 1334.18: CPU time  671.29
    FORCOR:  VPU time    8.66: CPU time    8.66
    FORHAR:  VPU time    2.29: CPU time    2.29
    MIXING:  VPU time    0.16: CPU time    0.16
 d Force = 0.1270056E-04[ 0.216E-05, 0.232E-04]  d Energy =-0.2290216E-04 0.356E-04
 d Force =-0.5476458E+00[-0.548E+00,-0.548E+00]  d Ewald  =-0.3930574E+01 0.338E+01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.645159 eV

  energy  without entropy=     -471.645159  energy(sigma->0) =     -471.645159
 

  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    40714.74  40730.97 -47414.48     14.06      0.00      0.00
  Hartree  40180.82  40184.06 -39433.73      2.80      0.00      0.00
  E(xc)     -779.72   -779.53   -807.25      0.17      0.00      0.00
  Local   -83188.79 -83202.05  84165.60    -11.49      0.00      0.00
  n-local   -215.79   -215.71   -203.86     -0.18      0.00      0.00
  augment     22.09     20.52     17.37     -1.36      0.00      0.00
  Kinetic   3168.61   3171.27   3582.13     -6.15      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.34     -0.31     -0.29      0.02      0.00      0.00
  in kB       -0.20     -0.19     -0.18      0.01      0.00      0.00
  external pressure =       -0.19 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.347847683  0.001536960  0.000000000     0.080979956  0.046740429  0.000000000
    -6.172599438 10.694314079  0.000000000    -0.000011638  0.093500916  0.000000000
     0.000000000  0.000000000 19.976047825     0.000000000  0.000000000  0.050059952

  length of vectors
    12.347847779 12.347847482 19.976047825     0.093500914  0.093500917  0.050059952


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.383E-05 -.459E-04 -.959E+03   0.428E-05 -.273E-04 0.967E+03   0.145E-23 0.145E-23 -.791E+01   -.378E-07 0.203E-07 -.662E-02
   -.176E+02 -.305E+02 -.136E+03   0.184E+02 0.319E+02 0.138E+03   -.832E+00 -.144E+01 -.259E+01   -.161E-03 -.280E-03 -.102E-02
   0.176E+02 0.305E+02 -.136E+03   -.184E+02 -.319E+02 0.138E+03   0.832E+00 0.144E+01 -.259E+01   0.161E-03 0.280E-03 -.102E-02
   -.196E+01 0.113E+01 0.181E+02   0.197E+01 -.114E+01 -.181E+02   -.827E-02 0.478E-02 -.245E-02   -.541E-03 0.310E-03 -.129E-02
   0.577E+01 0.686E+01 0.207E+02   -.578E+01 -.689E+01 -.206E+02   0.626E-02 0.328E-01 -.156E-01   0.379E-03 -.785E-04 -.110E-02
   0.112E+02 0.504E+01 0.185E+02   -.112E+02 -.505E+01 -.185E+02   0.258E-01 0.845E-02 -.527E-01   0.436E-04 0.469E-03 -.275E-03
   0.453E+01 -.994E+00 0.164E+02   -.455E+01 0.101E+01 -.164E+02   0.179E-01 -.186E-01 -.150E-02   0.153E-03 0.215E-04 -.474E-03
   -.291E+01 -.241E+01 0.153E+02   0.292E+01 0.242E+01 -.153E+02   -.147E-01 -.141E-01 0.159E-02   -.289E-03 -.403E-03 -.346E-03
   0.630E+00 0.372E+01 0.153E+02   -.638E+00 -.374E+01 -.153E+02   0.488E-02 0.198E-01 0.159E-02   0.199E-03 0.445E-03 -.350E-03
   0.272E+01 0.181E+02 0.248E+02   -.273E+01 -.182E+02 -.248E+02   0.960E-02 0.109E+00 -.839E-02   -.337E-03 0.739E-03 -.446E-03
   0.214E+02 0.225E+02 0.393E+02   -.215E+02 -.227E+02 -.392E+02   0.117E+00 0.228E+00 -.202E-01   0.578E-03 0.111E-03 -.480E-04
   0.264E+02 -.447E+01 0.264E+02   -.267E+02 0.458E+01 -.264E+02   0.237E+00 -.118E+00 -.594E-01   0.264E-03 -.543E-04 -.411E-03
   0.916E+01 -.529E+01 0.155E+02   -.918E+01 0.530E+01 -.155E+02   0.146E-01 -.841E-02 0.582E-02   0.625E-03 -.367E-03 -.468E-03
   0.312E+01 -.342E+01 0.164E+02   -.315E+01 0.343E+01 -.164E+02   0.251E-01 -.623E-02 -.150E-02   0.559E-04 -.148E-03 -.482E-03
   -.603E+01 0.131E+02 0.199E+02   0.604E+01 -.132E+02 -.199E+02   -.453E-02 0.751E-01 -.112E-01   -.495E-03 0.129E-03 -.388E-03
   -.122E+02 0.334E+02 0.453E+02   0.123E+02 -.340E+02 -.457E+02   -.924E-01 0.676E+00 0.346E+00   -.770E-03 0.169E-02 0.459E-03
   0.263E+02 -.152E+02 0.686E+02   -.272E+02 0.157E+02 -.707E+02   0.961E+00 -.555E+00 0.208E+01   0.173E-02 -.100E-02 0.218E-02
   0.171E+02 -.206E+02 0.264E+02   -.173E+02 0.208E+02 -.264E+02   0.221E+00 -.146E+00 -.594E-01   0.177E-03 -.209E-03 -.416E-03
   0.124E+01 -.122E+02 0.185E+02   -.124E+01 0.123E+02 -.185E+02   0.559E-02 -.266E-01 -.527E-01   -.382E-03 -.274E-03 -.280E-03
   -.387E+01 0.153E+01 0.145E+02   0.388E+01 -.153E+01 -.145E+02   -.778E-02 0.493E-02 -.412E-01   -.169E-03 -.665E-03 -.360E-03
   -.182E+02 0.105E+02 0.206E+02   0.182E+02 -.105E+02 -.204E+02   -.628E-01 0.363E-01 -.128E+00   -.506E-03 0.296E-03 -.614E-03
   -.350E+02 -.610E+01 0.453E+02   0.356E+02 0.636E+01 -.457E+02   -.631E+00 -.258E+00 0.346E+00   -.184E-02 -.176E-03 0.463E-03
   -.881E+01 -.298E+02 0.393E+02   0.895E+01 0.300E+02 -.392E+02   -.139E+00 -.216E+00 -.202E-01   0.196E-03 -.560E-03 -.499E-04
   -.305E+01 -.843E+01 0.207E+02   0.308E+01 0.845E+01 -.206E+02   -.253E-01 -.218E-01 -.156E-01   0.259E-03 -.291E-03 -.111E-02
   0.127E+01 -.731E+00 0.152E+02   -.126E+01 0.730E+00 -.152E+02   -.190E-02 0.109E-02 -.346E-01   0.150E-03 -.846E-04 -.690E-03
   -.326E+01 0.259E+01 0.145E+02   0.326E+01 -.260E+01 -.145E+02   -.816E-02 0.427E-02 -.412E-01   0.494E-03 0.483E-03 -.355E-03
   -.144E+02 -.135E+01 0.199E+02   0.145E+02 0.138E+01 -.199E+02   -.673E-01 -.336E-01 -.112E-01   -.357E-03 0.363E-03 -.380E-03
   -.143E+02 -.114E+02 0.248E+02   0.144E+02 0.115E+02 -.248E+02   -.900E-01 -.630E-01 -.839E-02   -.807E-03 -.828E-04 -.443E-03
   0.305E+01 0.843E+01 0.207E+02   -.308E+01 -.845E+01 -.206E+02   0.253E-01 0.218E-01 -.156E-01   -.259E-03 0.291E-03 -.111E-02
   0.143E+02 0.114E+02 0.248E+02   -.144E+02 -.115E+02 -.248E+02   0.900E-01 0.630E-01 -.839E-02   0.807E-03 0.828E-04 -.443E-03
   0.144E+02 0.135E+01 0.199E+02   -.145E+02 -.138E+01 -.199E+02   0.673E-01 0.336E-01 -.112E-01   0.357E-03 -.363E-03 -.380E-03
   0.326E+01 -.259E+01 0.145E+02   -.326E+01 0.260E+01 -.145E+02   0.816E-02 -.427E-02 -.412E-01   -.494E-03 -.483E-03 -.355E-03
   -.127E+01 0.731E+00 0.152E+02   0.126E+01 -.730E+00 -.152E+02   0.190E-02 -.109E-02 -.346E-01   -.150E-03 0.846E-04 -.690E-03
   -.124E+01 0.122E+02 0.185E+02   0.124E+01 -.123E+02 -.185E+02   -.559E-02 0.266E-01 -.527E-01   0.382E-03 0.274E-03 -.280E-03
   0.881E+01 0.298E+02 0.393E+02   -.895E+01 -.300E+02 -.392E+02   0.139E+00 0.216E+00 -.202E-01   -.196E-03 0.560E-03 -.500E-04
   0.350E+02 0.610E+01 0.453E+02   -.356E+02 -.636E+01 -.457E+02   0.631E+00 0.258E+00 0.346E+00   0.184E-02 0.176E-03 0.463E-03
   0.182E+02 -.105E+02 0.206E+02   -.182E+02 0.105E+02 -.204E+02   0.628E-01 -.363E-01 -.128E+00   0.506E-03 -.296E-03 -.614E-03
   0.387E+01 -.153E+01 0.145E+02   -.388E+01 0.153E+01 -.145E+02   0.778E-02 -.493E-02 -.412E-01   0.169E-03 0.665E-03 -.360E-03
   -.312E+01 0.342E+01 0.164E+02   0.315E+01 -.343E+01 -.164E+02   -.251E-01 0.623E-02 -.150E-02   -.559E-04 0.148E-03 -.482E-03
   -.171E+02 0.206E+02 0.264E+02   0.173E+02 -.208E+02 -.264E+02   -.221E+00 0.146E+00 -.594E-01   -.177E-03 0.209E-03 -.416E-03
   -.263E+02 0.152E+02 0.686E+02   0.272E+02 -.157E+02 -.707E+02   -.961E+00 0.555E+00 0.208E+01   -.173E-02 0.100E-02 0.218E-02
   0.122E+02 -.334E+02 0.453E+02   -.123E+02 0.340E+02 -.457E+02   0.924E-01 -.676E+00 0.346E+00   0.770E-03 -.169E-02 0.459E-03
   0.603E+01 -.131E+02 0.199E+02   -.604E+01 0.132E+02 -.199E+02   0.453E-02 -.751E-01 -.112E-01   0.495E-03 -.129E-03 -.388E-03
   -.630E+00 -.372E+01 0.153E+02   0.638E+00 0.374E+01 -.153E+02   -.488E-02 -.198E-01 0.159E-02   -.199E-03 -.445E-03 -.350E-03
   -.916E+01 0.529E+01 0.155E+02   0.918E+01 -.530E+01 -.155E+02   -.146E-01 0.841E-02 0.582E-02   -.625E-03 0.367E-03 -.468E-03
   -.264E+02 0.447E+01 0.264E+02   0.267E+02 -.458E+01 -.264E+02   -.237E+00 0.118E+00 -.594E-01   -.264E-03 0.543E-04 -.411E-03
   -.214E+02 -.225E+02 0.393E+02   0.215E+02 0.227E+02 -.392E+02   -.117E+00 -.228E+00 -.202E-01   -.578E-03 -.111E-03 -.480E-04
   -.272E+01 -.181E+02 0.248E+02   0.273E+01 0.182E+02 -.248E+02   -.960E-02 -.109E+00 -.839E-02   0.337E-03 -.739E-03 -.446E-03
   0.196E+01 -.113E+01 0.181E+02   -.197E+01 0.114E+01 -.181E+02   0.827E-02 -.478E-02 -.245E-02   0.541E-03 -.310E-03 -.129E-02
   0.291E+01 0.241E+01 0.153E+02   -.292E+01 -.242E+01 -.153E+02   0.147E-01 0.141E-01 0.159E-02   0.289E-03 0.403E-03 -.346E-03
   -.453E+01 0.994E+00 0.164E+02   0.455E+01 -.101E+01 -.164E+02   -.179E-01 0.186E-01 -.150E-02   -.153E-03 -.215E-04 -.474E-03
   -.112E+02 -.504E+01 0.185E+02   0.112E+02 0.505E+01 -.185E+02   -.258E-01 -.845E-02 -.527E-01   -.435E-04 -.469E-03 -.275E-03
   -.577E+01 -.686E+01 0.207E+02   0.578E+01 0.689E+01 -.206E+02   -.626E-02 -.328E-01 -.156E-01   -.379E-03 0.785E-04 -.110E-02
 -----------------------------------------------------------------------------------------------
   -.183E-02 0.313E-03 0.872E+01   -.132E-12 -.515E-13 0.178E-13   -.571E-15 -.173E-15 -.868E+01   -.358E-07 0.210E-07 -.240E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85293      6.06078     12.32561         0.000000      0.000000     -0.020456
      2.26164      6.76869     13.64213         0.007018      0.012156      0.015978
      1.44421      5.35286     13.64213        -0.007018     -0.012156      0.015978
      0.00054     -0.00031      9.93511         0.001388     -0.000801     -0.001546
     11.11255      2.13927      9.93746         0.000615     -0.000328      0.000334
      9.87698      4.27884      9.95243         0.002039     -0.001575      0.000479
      8.64364      6.41820      9.95245        -0.004540     -0.003687      0.000118
     -4.93647      8.55549      9.94629        -0.001578      0.002537     -0.001087
      2.47034     -0.00110      9.94629        -0.002986      0.000098     -0.001087
      1.23475      2.13615      9.95190         0.000930     -0.001333     -0.000978
     -0.00397      4.27488      9.98332         0.000958      0.002766     -0.002767
     -1.23850      6.41602      9.98976         0.004362     -0.001364     -0.001604
     -2.46718      8.55499      9.96068        -0.005976      0.003450      0.000113
      4.93875      0.00114      9.95245         0.000923      0.005775      0.000118
      3.70494      2.13653      9.96104         0.001736      0.000387     -0.000576
      2.47076      4.26322     10.02795        -0.001161     -0.000928      0.001843
      1.22851      6.42128     10.10002        -0.003575      0.002064      0.009179
     -0.00044      8.56041      9.98976         0.003362     -0.003096     -0.001604
      7.40816      0.00271      9.95243         0.002384     -0.000978      0.000479
      6.17362      2.13994      9.95293        -0.002243      0.006457      0.000131
      4.94044      4.27820      9.98366         0.001106     -0.000639     -0.001589
      3.71858      6.42450     10.02795         0.000223      0.001470      0.001843
      2.47111      8.56185      9.98332        -0.001917     -0.002212     -0.002767
      9.87887      0.00247      9.93746         0.000592     -0.000368      0.000334
      8.64296      2.14056      9.94161        -0.000261      0.000151     -0.003693
      7.40882      4.27937      9.95293        -0.006714     -0.001286      0.000131
      6.17743      6.41901      9.96104         0.000533     -0.001697     -0.000576
      4.94266      8.55845      9.95190         0.001619     -0.000139     -0.000978
     -0.00041      1.42477      9.93746        -0.000592      0.000368      0.000334
     -1.23681      3.56311      9.95190        -0.001619      0.000139     -0.000978
     -2.47158      5.70254      9.96104        -0.000533      0.001697     -0.000576
     -3.70296      7.84218      9.95293         0.006714      0.001286      0.000131
     -4.93710      9.98100      9.94161         0.000261     -0.000151     -0.003693
      2.47029      1.42453      9.95243        -0.002384      0.000978      0.000479
      1.23475      3.55970      9.98332         0.001917      0.002212     -0.002767
     -0.01272      5.69705     10.02795        -0.000223     -0.001470      0.001843
     -1.23458      7.84335      9.98366        -0.001106      0.000639     -0.001589
     -2.46776      9.98161      9.95293         0.002243     -0.006457      0.000131
      4.93970      1.42610      9.95245        -0.000923     -0.005775      0.000118
      3.70629      3.56115      9.98976        -0.003362      0.003096     -0.001604
      2.47734      5.70027     10.10002         0.003575     -0.002064      0.009179
      1.23510      7.85834     10.02795         0.001161      0.000928      0.001843
      0.00091      9.98502      9.96104        -0.001736     -0.000387     -0.000576
      7.40812      1.42834      9.94629         0.002986     -0.000098     -0.001087
      6.17304      3.56656      9.96068         0.005976     -0.003450      0.000113
      4.94436      5.70553      9.98976        -0.004362      0.001364     -0.001604
      3.70983      7.84667      9.98332        -0.000958     -0.002766     -0.002767
      2.47111      9.98540      9.95190        -0.000930      0.001333     -0.000978
      9.87792      1.42755      9.93511        -0.001388      0.000801     -0.001546
      8.64233      3.56606      9.94629         0.001578     -0.002537     -0.001087
      7.41007      5.70490      9.95245         0.004540      0.003687      0.000118
      6.17672      7.84425      9.95243        -0.002039      0.001575      0.000479
      4.94115      9.98382      9.93746        -0.000615      0.000328      0.000334
 -----------------------------------------------------------------------------------
    total drift:                               -0.001830      0.000313      0.020028


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




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


    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  189.05: CPU time   94.85
     LOOP+:  VPU time 5519.60: CPU time 2842.32


----------------------------------------- Iteration   23(   1)  ---------------------------------------


    POTLOK:  VPU time    9.17: CPU time    9.16
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1765.34: CPU time  914.76
 BZINTS: Fermi energy: -3.149326;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  113.28: CPU time   57.32
    MIXING:  VPU time    0.15: CPU time    0.14
    ------------------------------------------
      LOOP:  VPU time 1888.34: CPU time  981.76

 eigenvalue-minimisations  :  5832
 total energy-change (2. order) :-0.4716452E+03  (-0.2020205E-03)
 number of electron  212.0000065 magnetization    0.0000000
 augmentation part     7.9595353 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.11367E-02    rms(broyden)= 0.11363E-02
  rms(prec ) = 0.12851E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34026.46470224
  -1/2 Hartree   DENC   =    -40927.05238507
  -V(xc)+E(xc)   XCENC  =       726.58480909
  PAW double counting   =      4092.38914386    -4130.76023380
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2464.71106577
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64517585 eV

  energy without entropy =     -471.64517585  energy(sigma->0) =     -471.64517585


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




----------------------------------------- Iteration   23(   2)  ---------------------------------------


    POTLOK:  VPU time    9.00: CPU time    9.01
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1423.80: CPU time  734.76
 BZINTS: Fermi energy: -3.149248;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1433.20: CPU time  744.14

 eigenvalue-minimisations  :  4232
 total energy-change (2. order) : 0.4866548E-05  (-0.3363878E-05)
 number of electron  212.0000065 magnetization    0.0000000
 augmentation part     7.9595353 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34026.46470224
  -1/2 Hartree   DENC   =    -40926.89686123
  -V(xc)+E(xc)   XCENC  =       726.58075141
  PAW double counting   =      4092.26526258    -4130.63585523
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2464.86302436
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64517099 eV

  energy without entropy =     -471.64517099  energy(sigma->0) =     -471.64517099


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




 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 -58.5312       2 -39.9780       3 -39.9780       4 -58.2441       5 -58.2486
       6 -58.2557       7 -58.2465       8 -58.2446       9 -58.2446      10 -58.2606
      11 -58.3154      12 -58.2919      13 -58.2498      14 -58.2465      15 -58.2573
      16 -58.4369      17 -58.7293      18 -58.2919      19 -58.2557      20 -58.2499
      21 -58.2769      22 -58.4369      23 -58.3154      24 -58.2486      25 -58.2438
      26 -58.2499      27 -58.2573      28 -58.2607      29 -58.2485      30 -58.2605
      31 -58.2572      32 -58.2498      33 -58.2437      34 -58.2556      35 -58.3153
      36 -58.4368      37 -58.2768      38 -58.2498      39 -58.2464      40 -58.2918
      41 -58.7292      42 -58.4368      43 -58.2572      44 -58.2445      45 -58.2497
      46 -58.2918      47 -58.3153      48 -58.2606      49 -58.2440      50 -58.2445
      51 -58.2464      52 -58.2556      53 -58.2485
 
 
 
 E-fermi :  -3.1492     XC(G=0):  -2.3412     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     -21.5334      1.00000
      3     -21.4049      1.00000
      4     -21.4041      1.00000
      5     -21.3729      1.00000
      6     -21.3639      1.00000
      7     -21.3565      1.00000
      8     -19.6434      1.00000
      9     -19.5700      1.00000
     10     -19.5631      1.00000
     11     -19.5566      1.00000
     12     -19.5386      1.00000
     13     -19.5358      1.00000
     14     -18.7257      1.00000
     15     -18.6777      1.00000
     16     -18.6702      1.00000
     17     -18.6568      1.00000
     18     -18.6416      1.00000
     19     -18.6399      1.00000
     20     -16.5837      1.00000
     21     -16.5249      1.00000
     22     -16.5225      1.00000
     23     -16.5098      1.00000
     24     -16.4855      1.00000
     25     -16.4836      1.00000
     26     -15.5564      1.00000
     27     -15.5244      1.00000
     28     -15.5237      1.00000
     29     -15.4979      1.00000
     30     -15.4929      1.00000
     31     -15.4873      1.00000
     32     -14.2043      1.00000
     33     -14.1784      1.00000
     34     -14.1659      1.00000
     35     -14.1633      1.00000
     36     -14.1582      1.00000
     37     -14.1473      1.00000
     38     -11.8811      1.00000
     39     -11.8067      1.00000
     40     -11.7906      1.00000
     41     -11.7906      1.00000
     42     -11.7872      1.00000
     43     -11.7816      1.00000
     44     -11.7028      1.00000
     45     -11.6965      1.00000
     46     -11.6710      1.00000
     47     -11.6562      1.00000
     48     -11.6560      1.00000
     49     -11.6490      1.00000
     50     -10.6684      1.00000
     51     -10.3273      1.00000
     52     -10.3191      1.00000
     53     -10.3039      1.00000
     54     -10.3024      1.00000
     55     -10.2896      1.00000
     56     -10.2764      1.00000
     57      -9.9218      1.00000
     58      -9.3708      1.00000
     59      -9.3578      1.00000
     60      -9.2988      1.00000
     61      -9.2907      1.00000
     62      -9.2839      1.00000
     63      -9.0902      1.00000
     64      -9.0529      1.00000
     65      -9.0479      1.00000
     66      -9.0251      1.00000
     67      -9.0056      1.00000
     68      -9.0005      1.00000
     69      -8.9994      1.00000
     70      -8.9934      1.00000
     71      -8.9907      1.00000
     72      -8.9712      1.00000
     73      -8.9634      1.00000
     74      -8.9534      1.00000
     75      -8.4890      1.00000
     76      -7.5156      1.00000
     77      -7.4093      1.00000
     78      -7.4090      1.00000
     79      -7.3957      1.00000
     80      -7.3824      1.00000
     81      -7.3632      1.00000
     82      -7.3400      1.00000
     83      -7.3105      1.00000
     84      -7.2658      1.00000
     85      -7.2050      1.00000
     86      -7.1790      1.00000
     87      -7.1788      1.00000
     88      -7.0792      1.00000
     89      -6.5053      1.00000
     90      -6.4592      1.00000
     91      -6.3533      1.00000
     92      -6.2931      1.00000
     93      -6.2869      1.00000
     94      -6.2857      1.00000
     95      -5.8962      1.00000
     96      -5.8839      1.00000
     97      -5.0395      1.00000
     98      -4.9341      1.00000
     99      -4.5350      1.00000
    100      -4.3402      1.00000
    101      -4.3175      1.00000
    102      -4.3164      1.00000
    103      -4.1166      1.00000
    104      -3.9113      1.00000
    105      -3.9012      1.00000
    106      -3.8245      1.00000
    107      -1.6811      0.00000
    108      -1.6678      0.00000
    109      -1.5366      0.00000
    110      -1.5347      0.00000
    111      -1.5235      0.00000
    112      -1.5091      0.00000
    113      -0.5876      0.00000
    114       0.1334      0.00000
    115       0.2068      0.00000
    116       0.3246      0.00000
    117       0.3265      0.00000
    118       0.3338      0.00000
    119       0.4939      0.00000
    120       0.6083      0.00000
    121       1.2614      0.00000
    122       1.2880      0.00000
    123       1.5410      0.00000
    124       1.7553      0.00000
    125       1.8157      0.00000
    126       1.8196      0.00000
    127       1.8248      0.00000
    128       1.9470      0.00000
    129       1.9919      0.00000
    130       2.0313      0.00000
    131       2.0452      0.00000
    132       2.0504      0.00000
    133       2.0571      0.00000
    134       2.0654      0.00000
    135       2.3179      0.00000
    136       2.3274      0.00000
    137       2.6456      0.00000
    138       2.6549      0.00000
    139       2.6854      0.00000
    140       2.7317      0.00000
    141       2.8856      0.00000
    142       2.9959      0.00000
    143       3.0172      0.00000
    144       3.0345      0.00000
    145       3.0352      0.00000
    146       3.0397      0.00000
    147       3.0916      0.00000
    148       3.2484      0.00000
    149       3.4371      0.00000
    150       3.5578      0.00000
    151       3.7809      0.00000
    152       3.9480      0.00000
    153       3.9550      0.00000
    154       3.9618      0.00000
    155       3.9626      0.00000
    156       4.0106      0.00000
    157       4.1874      0.00000
    158       4.2697      0.00000
    159       4.2932      0.00000
    160       4.2947      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     -21.5358      1.00000
      5     -21.2054      1.00000
      6     -21.1609      1.00000
      7     -20.9851      1.00000
      8     -20.0994      1.00000
      9     -20.0557      1.00000
     10     -19.5441      1.00000
     11     -19.5197      1.00000
     12     -19.3471      1.00000
     13     -19.0225      1.00000
     14     -18.9877      1.00000
     15     -18.9795      1.00000
     16     -18.9674      1.00000
     17     -18.2954      1.00000
     18     -18.2763      1.00000
     19     -17.9502      1.00000
     20     -17.0076      1.00000
     21     -16.9580      1.00000
     22     -16.8769      1.00000
     23     -16.8673      1.00000
     24     -16.4032      1.00000
     25     -16.3885      1.00000
     26     -15.5498      1.00000
     27     -15.5340      1.00000
     28     -15.1957      1.00000
     29     -15.1674      1.00000
     30     -15.1129      1.00000
     31     -15.0259      1.00000
     32     -15.0013      1.00000
     33     -14.6344      1.00000
     34     -14.6227      1.00000
     35     -13.6656      1.00000
     36     -13.6504      1.00000
     37     -13.1680      1.00000
     38     -12.5493      1.00000
     39     -12.5164      1.00000
     40     -12.3891      1.00000
     41     -12.3761      1.00000
     42     -12.0556      1.00000
     43     -12.0330      1.00000
     44     -11.6571      1.00000
     45     -11.6155      1.00000
     46     -11.1789      1.00000
     47     -11.1555      1.00000
     48     -10.9628      1.00000
     49     -10.9390      1.00000
     50     -10.8714      1.00000
     51     -10.8356      1.00000
     52     -10.5984      1.00000
     53     -10.0913      1.00000
     54     -10.0868      1.00000
     55     -10.0436      1.00000
     56      -9.9683      1.00000
     57      -9.6523      1.00000
     58      -9.6277      1.00000
     59      -9.5903      1.00000
     60      -9.5280      1.00000
     61      -9.5093      1.00000
     62      -9.4778      1.00000
     63      -9.2622      1.00000
     64      -9.2397      1.00000
     65      -9.2192      1.00000
     66      -9.1649      1.00000
     67      -9.0669      1.00000
     68      -9.0453      1.00000
     69      -9.0395      1.00000
     70      -8.8809      1.00000
     71      -8.8048      1.00000
     72      -8.5740      1.00000
     73      -8.5211      1.00000
     74      -8.4547      1.00000
     75      -8.0339      1.00000
     76      -7.8088      1.00000
     77      -7.8053      1.00000
     78      -7.7911      1.00000
     79      -7.6989      1.00000
     80      -7.6895      1.00000
     81      -7.3670      1.00000
     82      -7.2720      1.00000
     83      -7.2634      1.00000
     84      -7.2161      1.00000
     85      -7.1717      1.00000
     86      -7.0081      1.00000
     87      -6.9462      1.00000
     88      -6.7440      1.00000
     89      -6.6708      1.00000
     90      -6.5935      1.00000
     91      -6.5584      1.00000
     92      -6.0492      1.00000
     93      -6.0450      1.00000
     94      -6.0203      1.00000
     95      -5.9581      1.00000
     96      -5.7352      1.00000
     97      -5.1498      1.00000
     98      -4.9868      1.00000
     99      -4.7166      1.00000
    100      -4.6102      1.00000
    101      -4.4382      1.00000
    102      -4.3726      1.00000
    103      -4.1207      1.00000
    104      -3.8674      1.00000
    105      -3.8257      1.00000
    106      -3.7900      1.00000
    107      -1.7850      0.00000
    108      -1.7385      0.00000
    109      -1.3942      0.00000
    110      -1.3459      0.00000
    111      -1.2649      0.00000
    112      -1.2258      0.00000
    113      -0.7457      0.00000
    114      -0.3802      0.00000
    115      -0.2204      0.00000
    116      -0.0202      0.00000
    117       0.5970      0.00000
    118       0.7408      0.00000
    119       0.7654      0.00000
    120       1.0506      0.00000
    121       1.1416      0.00000
    122       1.2517      0.00000
    123       1.2798      0.00000
    124       1.4242      0.00000
    125       1.4910      0.00000
    126       1.6010      0.00000
    127       1.7454      0.00000
    128       1.8398      0.00000
    129       1.8933      0.00000
    130       1.9623      0.00000
    131       2.0989      0.00000
    132       2.2548      0.00000
    133       2.2622      0.00000
    134       2.3208      0.00000
    135       2.5013      0.00000
    136       2.5877      0.00000
    137       2.6495      0.00000
    138       2.7790      0.00000
    139       2.7913      0.00000
    140       2.8149      0.00000
    141       2.8699      0.00000
    142       2.8865      0.00000
    143       2.9428      0.00000
    144       3.1145      0.00000
    145       3.2946      0.00000
    146       3.3065      0.00000
    147       3.3437      0.00000
    148       3.3694      0.00000
    149       3.4756      0.00000
    150       3.5707      0.00000
    151       3.6207      0.00000
    152       3.6794      0.00000
    153       3.7135      0.00000
    154       3.9216      0.00000
    155       3.9381      0.00000
    156       3.9928      0.00000
    157       4.0848      0.00000
    158       4.2121      0.00000
    159       4.2577      0.00000
    160       4.3035      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2116      1.00000
      2     -22.0057      1.00000
      3     -21.6469      1.00000
      4     -21.6102      1.00000
      5     -20.9106      1.00000
      6     -20.8647      1.00000
      7     -20.5434      1.00000
      8     -20.5043      1.00000
      9     -20.4940      1.00000
     10     -19.9616      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     -18.3382      1.00000
     17     -17.8581      1.00000
     18     -17.8373      1.00000
     19     -17.6959      1.00000
     20     -17.6537      1.00000
     21     -17.3703      1.00000
     22     -17.3545      1.00000
     23     -17.2728      1.00000
     24     -16.3996      1.00000
     25     -16.3849      1.00000
     26     -15.8946      1.00000
     27     -15.3506      1.00000
     28     -15.3354      1.00000
     29     -15.0329      1.00000
     30     -15.0192      1.00000
     31     -14.7980      1.00000
     32     -14.7734      1.00000
     33     -14.2202      1.00000
     34     -14.1884      1.00000
     35     -13.3693      1.00000
     36     -13.3359      1.00000
     37     -13.1182      1.00000
     38     -13.1009      1.00000
     39     -12.9142      1.00000
     40     -12.9009      1.00000
     41     -12.5551      1.00000
     42     -12.5373      1.00000
     43     -12.1316      1.00000
     44     -11.5197      1.00000
     45     -11.4723      1.00000
     46     -11.2516      1.00000
     47     -11.2183      1.00000
     48     -11.0780      1.00000
     49     -10.6554      1.00000
     50     -10.5876      1.00000
     51     -10.5200      1.00000
     52     -10.2560      1.00000
     53     -10.2475      1.00000
     54     -10.1208      1.00000
     55     -10.0475      1.00000
     56     -10.0398      1.00000
     57      -9.7671      1.00000
     58      -9.7034      1.00000
     59      -9.6784      1.00000
     60      -9.6293      1.00000
     61      -9.6251      1.00000
     62      -9.5864      1.00000
     63      -9.2928      1.00000
     64      -9.2837      1.00000
     65      -9.2517      1.00000
     66      -9.0832      1.00000
     67      -8.8956      1.00000
     68      -8.8820      1.00000
     69      -8.7233      1.00000
     70      -8.5857      1.00000
     71      -8.5127      1.00000
     72      -8.3293      1.00000
     73      -8.3010      1.00000
     74      -8.2629      1.00000
     75      -8.2316      1.00000
     76      -8.1940      1.00000
     77      -8.1851      1.00000
     78      -8.1695      1.00000
     79      -8.0963      1.00000
     80      -7.6869      1.00000
     81      -7.3591      1.00000
     82      -7.3095      1.00000
     83      -7.2649      1.00000
     84      -7.1860      1.00000
     85      -7.1250      1.00000
     86      -7.0758      1.00000
     87      -6.9057      1.00000
     88      -6.8816      1.00000
     89      -6.5483      1.00000
     90      -6.4915      1.00000
     91      -6.2087      1.00000
     92      -6.0669      1.00000
     93      -5.9396      1.00000
     94      -5.7119      1.00000
     95      -5.6316      1.00000
     96      -5.4506      1.00000
     97      -5.3032      1.00000
     98      -5.2331      1.00000
     99      -5.1512      1.00000
    100      -5.1506      1.00000
    101      -4.5188      1.00000
    102      -4.4697      1.00000
    103      -4.1392      1.00000
    104      -3.8286      1.00000
    105      -3.7564      1.00000
    106      -3.6801      1.00000
    107      -1.8708      0.00000
    108      -1.8239      0.00000
    109      -1.2768      0.00000
    110      -1.0360      0.00000
    111      -1.0119      0.00000
    112      -0.7127      0.00000
    113      -0.6399      0.00000
    114      -0.5885      0.00000
    115      -0.5460      0.00000
    116      -0.2053      0.00000
    117       0.2520      0.00000
    118       0.2785      0.00000
    119       0.7701      0.00000
    120       0.9515      0.00000
    121       1.1365      0.00000
    122       1.2325      0.00000
    123       1.3245      0.00000
    124       1.4188      0.00000
    125       1.6130      0.00000
    126       1.6358      0.00000
    127       1.7240      0.00000
    128       1.8195      0.00000
    129       1.9361      0.00000
    130       2.0361      0.00000
    131       2.0656      0.00000
    132       2.2841      0.00000
    133       2.4004      0.00000
    134       2.4523      0.00000
    135       2.5552      0.00000
    136       2.6470      0.00000
    137       2.7098      0.00000
    138       2.7784      0.00000
    139       2.8475      0.00000
    140       2.8943      0.00000
    141       3.0502      0.00000
    142       3.1049      0.00000
    143       3.2078      0.00000
    144       3.2511      0.00000
    145       3.3962      0.00000
    146       3.4324      0.00000
    147       3.5031      0.00000
    148       3.5861      0.00000
    149       3.6124      0.00000
    150       3.6331      0.00000
    151       3.6555      0.00000
    152       3.7395      0.00000
    153       3.7531      0.00000
    154       3.7643      0.00000
    155       3.8052      0.00000
    156       3.9026      0.00000
    157       3.9932      0.00000
    158       4.0184      0.00000
    159       4.1917      0.00000
    160       4.2228      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     -21.8210      1.00000
      4     -21.3093      1.00000
      5     -21.2794      1.00000
      6     -20.7682      1.00000
      7     -20.7026      1.00000
      8     -20.5540      1.00000
      9     -20.0067      1.00000
     10     -19.9993      1.00000
     11     -19.6457      1.00000
     12     -19.6216      1.00000
     13     -18.9274      1.00000
     14     -18.9189      1.00000
     15     -18.5686      1.00000
     16     -18.5548      1.00000
     17     -18.3919      1.00000
     18     -17.6127      1.00000
     19     -17.5569      1.00000
     20     -17.5517      1.00000
     21     -17.5102      1.00000
     22     -17.0539      1.00000
     23     -17.0364      1.00000
     24     -16.8899      1.00000
     25     -15.9281      1.00000
     26     -15.8652      1.00000
     27     -15.5143      1.00000
     28     -15.5137      1.00000
     29     -15.2265      1.00000
     30     -14.7926      1.00000
     31     -14.7655      1.00000
     32     -14.5135      1.00000
     33     -14.4694      1.00000
     34     -14.1001      1.00000
     35     -14.0889      1.00000
     36     -13.0748      1.00000
     37     -13.0308      1.00000
     38     -12.9648      1.00000
     39     -12.9531      1.00000
     40     -12.6435      1.00000
     41     -12.6369      1.00000
     42     -12.2721      1.00000
     43     -12.2408      1.00000
     44     -11.5853      1.00000
     45     -11.5592      1.00000
     46     -11.5047      1.00000
     47     -10.9018      1.00000
     48     -10.8493      1.00000
     49     -10.6174      1.00000
     50     -10.5576      1.00000
     51     -10.4824      1.00000
     52     -10.4320      1.00000
     53     -10.4221      1.00000
     54     -10.3697      1.00000
     55     -10.2919      1.00000
     56     -10.0626      1.00000
     57      -9.8316      1.00000
     58      -9.5463      1.00000
     59      -9.4864      1.00000
     60      -9.4669      1.00000
     61      -9.3447      1.00000
     62      -9.3292      1.00000
     63      -9.3089      1.00000
     64      -9.3066      1.00000
     65      -9.2125      1.00000
     66      -9.1102      1.00000
     67      -9.0793      1.00000
     68      -9.0484      1.00000
     69      -8.8447      1.00000
     70      -8.7914      1.00000
     71      -8.7724      1.00000
     72      -8.5256      1.00000
     73      -8.4727      1.00000
     74      -8.2178      1.00000
     75      -8.1084      1.00000
     76      -8.0980      1.00000
     77      -7.8053      1.00000
     78      -7.7814      1.00000
     79      -7.7800      1.00000
     80      -7.6716      1.00000
     81      -7.6306      1.00000
     82      -7.6291      1.00000
     83      -7.4025      1.00000
     84      -7.3231      1.00000
     85      -7.2054      1.00000
     86      -6.8383      1.00000
     87      -6.8280      1.00000
     88      -6.6577      1.00000
     89      -6.5375      1.00000
     90      -6.3430      1.00000
     91      -6.3055      1.00000
     92      -6.1834      1.00000
     93      -6.1461      1.00000
     94      -5.9763      1.00000
     95      -5.5703      1.00000
     96      -5.4246      1.00000
     97      -5.2578      1.00000
     98      -5.2440      1.00000
     99      -5.1478      1.00000
    100      -4.6942      1.00000
    101      -4.6644      1.00000
    102      -4.3495      1.00000
    103      -4.3113      1.00000
    104      -3.9626      1.00000
    105      -3.8210      1.00000
    106      -3.3903      1.00000
    107      -2.2199      0.00000
    108      -1.3762      0.00000
    109      -1.2864      0.00000
    110      -1.1733      0.00000
    111      -1.0778      0.00000
    112      -0.8938      0.00000
    113      -0.7683      0.00000
    114      -0.7572      0.00000
    115      -0.2217      0.00000
    116       0.1129      0.00000
    117       0.2636      0.00000
    118       0.3458      0.00000
    119       0.7446      0.00000
    120       0.9055      0.00000
    121       0.9734      0.00000
    122       1.1009      0.00000
    123       1.2163      0.00000
    124       1.5381      0.00000
    125       1.5896      0.00000
    126       1.7213      0.00000
    127       1.8392      0.00000
    128       1.8628      0.00000
    129       1.9451      0.00000
    130       2.0295      0.00000
    131       2.1477      0.00000
    132       2.2947      0.00000
    133       2.4067      0.00000
    134       2.4695      0.00000
    135       2.4793      0.00000
    136       2.6667      0.00000
    137       2.6877      0.00000
    138       2.7486      0.00000
    139       2.7551      0.00000
    140       2.9061      0.00000
    141       3.0379      0.00000
    142       3.0953      0.00000
    143       3.1700      0.00000
    144       3.2121      0.00000
    145       3.2571      0.00000
    146       3.2808      0.00000
    147       3.3678      0.00000
    148       3.4941      0.00000
    149       3.5534      0.00000
    150       3.7130      0.00000
    151       3.7639      0.00000
    152       3.7709      0.00000
    153       3.8301      0.00000
    154       3.8971      0.00000
    155       3.9637      0.00000
    156       3.9765      0.00000
    157       4.0022      0.00000
    158       4.0372      0.00000
    159       4.0394      0.00000
    160       4.1133      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1391      1.00000
      2     -22.0449      1.00000
      3     -21.8845      1.00000
      4     -21.3325      1.00000
      5     -20.9794      1.00000
      6     -20.9413      1.00000
      7     -20.4310      1.00000
      8     -20.3888      1.00000
      9     -20.2245      1.00000
     10     -20.2033      1.00000
     11     -19.8869      1.00000
     12     -19.8197      1.00000
     13     -18.8127      1.00000
     14     -18.7421      1.00000
     15     -18.2877      1.00000
     16     -18.2348      1.00000
     17     -18.0839      1.00000
     18     -18.0642      1.00000
     19     -17.7595      1.00000
     20     -17.7176      1.00000
     21     -17.1870      1.00000
     22     -17.1685      1.00000
     23     -17.0981      1.00000
     24     -17.0622      1.00000
     25     -16.0359      1.00000
     26     -15.8209      1.00000
     27     -15.7979      1.00000
     28     -15.7631      1.00000
     29     -15.1722      1.00000
     30     -14.4893      1.00000
     31     -14.4569      1.00000
     32     -14.2163      1.00000
     33     -13.8935      1.00000
     34     -13.8885      1.00000
     35     -13.7545      1.00000
     36     -13.7345      1.00000
     37     -13.5498      1.00000
     38     -13.5017      1.00000
     39     -13.2979      1.00000
     40     -12.5624      1.00000
     41     -12.1232      1.00000
     42     -12.0648      1.00000
     43     -12.0079      1.00000
     44     -11.9499      1.00000
     45     -11.6092      1.00000
     46     -11.5867      1.00000
     47     -11.0832      1.00000
     48     -11.0507      1.00000
     49     -10.7501      1.00000
     50     -10.6625      1.00000
     51     -10.5210      1.00000
     52     -10.1469      1.00000
     53     -10.1368      1.00000
     54     -10.0948      1.00000
     55      -9.9515      1.00000
     56      -9.9460      1.00000
     57      -9.9158      1.00000
     58      -9.7360      1.00000
     59      -9.7297      1.00000
     60      -9.6994      1.00000
     61      -9.6894      1.00000
     62      -9.4259      1.00000
     63      -9.3614      1.00000
     64      -9.0827      1.00000
     65      -9.0051      1.00000
     66      -8.9733      1.00000
     67      -8.8867      1.00000
     68      -8.8099      1.00000
     69      -8.6560      1.00000
     70      -8.6335      1.00000
     71      -8.5750      1.00000
     72      -8.4770      1.00000
     73      -8.4660      1.00000
     74      -8.3966      1.00000
     75      -8.3931      1.00000
     76      -8.1823      1.00000
     77      -8.1112      1.00000
     78      -7.9760      1.00000
     79      -7.9123      1.00000
     80      -7.8455      1.00000
     81      -7.6146      1.00000
     82      -7.5294      1.00000
     83      -7.4681      1.00000
     84      -7.2649      1.00000
     85      -6.9330      1.00000
     86      -6.8570      1.00000
     87      -6.8103      1.00000
     88      -6.5706      1.00000
     89      -6.4654      1.00000
     90      -6.4195      1.00000
     91      -6.3558      1.00000
     92      -6.0487      1.00000
     93      -5.8755      1.00000
     94      -5.7516      1.00000
     95      -5.7206      1.00000
     96      -5.4741      1.00000
     97      -5.3441      1.00000
     98      -5.1791      1.00000
     99      -5.1551      1.00000
    100      -5.1538      1.00000
    101      -4.7055      1.00000
    102      -4.4406      1.00000
    103      -4.2522      1.00000
    104      -3.9935      1.00000
    105      -3.8199      1.00000
    106      -3.1565      1.00000
    107      -2.4630      0.00000
    108      -1.3781      0.00000
    109      -1.2410      0.00000
    110      -1.1463      0.00000
    111      -1.1146      0.00000
    112      -0.5646      0.00000
    113      -0.4348      0.00000
    114      -0.4304      0.00000
    115      -0.3103      0.00000
    116      -0.1908      0.00000
    117       0.0617      0.00000
    118       0.1158      0.00000
    119       0.5401      0.00000
    120       0.6839      0.00000
    121       0.8810      0.00000
    122       0.9788      0.00000
    123       1.1205      0.00000
    124       1.5050      0.00000
    125       1.6784      0.00000
    126       1.8363      0.00000
    127       1.8940      0.00000
    128       2.0846      0.00000
    129       2.1176      0.00000
    130       2.1687      0.00000
    131       2.2193      0.00000
    132       2.3293      0.00000
    133       2.3408      0.00000
    134       2.4828      0.00000
    135       2.5640      0.00000
    136       2.6870      0.00000
    137       2.8899      0.00000
    138       2.9383      0.00000
    139       2.9782      0.00000
    140       3.0004      0.00000
    141       3.0548      0.00000
    142       3.1414      0.00000
    143       3.1663      0.00000
    144       3.2549      0.00000
    145       3.3043      0.00000
    146       3.3426      0.00000
    147       3.3542      0.00000
    148       3.3888      0.00000
    149       3.4219      0.00000
    150       3.5114      0.00000
    151       3.5630      0.00000
    152       3.6236      0.00000
    153       3.6550      0.00000
    154       3.7030      0.00000
    155       3.7258      0.00000
    156       3.9326      0.00000
    157       3.9450      0.00000
    158       4.0747      0.00000
    159       4.1160      0.00000
    160       4.2248      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     -21.8196      1.00000
      4     -21.3139      1.00000
      5     -21.2754      1.00000
      6     -20.7692      1.00000
      7     -20.7007      1.00000
      8     -20.5525      1.00000
      9     -20.0205      1.00000
     10     -19.9885      1.00000
     11     -19.6482      1.00000
     12     -19.6174      1.00000
     13     -18.9412      1.00000
     14     -18.9068      1.00000
     15     -18.5819      1.00000
     16     -18.5449      1.00000
     17     -18.3902      1.00000
     18     -17.5998      1.00000
     19     -17.5689      1.00000
     20     -17.5396      1.00000
     21     -17.5069      1.00000
     22     -17.0724      1.00000
     23     -17.0260      1.00000
     24     -16.8985      1.00000
     25     -15.9438      1.00000
     26     -15.8492      1.00000
     27     -15.5312      1.00000
     28     -15.5049      1.00000
     29     -15.2077      1.00000
     30     -14.8118      1.00000
     31     -14.7598      1.00000
     32     -14.5079      1.00000
     33     -14.4664      1.00000
     34     -14.0944      1.00000
     35     -14.0914      1.00000
     36     -13.1029      1.00000
     37     -13.0277      1.00000
     38     -12.9552      1.00000
     39     -12.9481      1.00000
     40     -12.6540      1.00000
     41     -12.6260      1.00000
     42     -12.2721      1.00000
     43     -12.2452      1.00000
     44     -11.5713      1.00000
     45     -11.5521      1.00000
     46     -11.4988      1.00000
     47     -10.8759      1.00000
     48     -10.8666      1.00000
     49     -10.6773      1.00000
     50     -10.5239      1.00000
     51     -10.5179      1.00000
     52     -10.4318      1.00000
     53     -10.4143      1.00000
     54     -10.3687      1.00000
     55     -10.2864      1.00000
     56     -10.0580      1.00000
     57      -9.8306      1.00000
     58      -9.5567      1.00000
     59      -9.4832      1.00000
     60      -9.4415      1.00000
     61      -9.3539      1.00000
     62      -9.3378      1.00000
     63      -9.3064      1.00000
     64      -9.3009      1.00000
     65      -9.2044      1.00000
     66      -9.0980      1.00000
     67      -9.0672      1.00000
     68      -9.0476      1.00000
     69      -8.8473      1.00000
     70      -8.7951      1.00000
     71      -8.7762      1.00000
     72      -8.5253      1.00000
     73      -8.4936      1.00000
     74      -8.2228      1.00000
     75      -8.1278      1.00000
     76      -8.0915      1.00000
     77      -7.8050      1.00000
     78      -7.7662      1.00000
     79      -7.7384      1.00000
     80      -7.7006      1.00000
     81      -7.6345      1.00000
     82      -7.6233      1.00000
     83      -7.3882      1.00000
     84      -7.3437      1.00000
     85      -7.2241      1.00000
     86      -6.8423      1.00000
     87      -6.8198      1.00000
     88      -6.6365      1.00000
     89      -6.5282      1.00000
     90      -6.3405      1.00000
     91      -6.2711      1.00000
     92      -6.1940      1.00000
     93      -6.1309      1.00000
     94      -6.0186      1.00000
     95      -5.6326      1.00000
     96      -5.5068      1.00000
     97      -5.2966      1.00000
     98      -5.1552      1.00000
     99      -5.0380      1.00000
    100      -4.7238      1.00000
    101      -4.6845      1.00000
    102      -4.3678      1.00000
    103      -4.1829      1.00000
    104      -4.0064      1.00000
    105      -3.8194      1.00000
    106      -3.4841      1.00000
    107      -2.1646      0.00000
    108      -1.3828      0.00000
    109      -1.2356      0.00000
    110      -1.1853      0.00000
    111      -1.0139      0.00000
    112      -0.9557      0.00000
    113      -0.7974      0.00000
    114      -0.7522      0.00000
    115      -0.3680      0.00000
    116       0.2451      0.00000
    117       0.2765      0.00000
    118       0.3637      0.00000
    119       0.7105      0.00000
    120       0.8696      0.00000
    121       0.9659      0.00000
    122       1.1337      0.00000
    123       1.2466      0.00000
    124       1.4614      0.00000
    125       1.5840      0.00000
    126       1.7847      0.00000
    127       1.8471      0.00000
    128       1.8726      0.00000
    129       2.0017      0.00000
    130       2.0401      0.00000
    131       2.1824      0.00000
    132       2.2347      0.00000
    133       2.3991      0.00000
    134       2.4232      0.00000
    135       2.5103      0.00000
    136       2.6601      0.00000
    137       2.6849      0.00000
    138       2.7430      0.00000
    139       2.7814      0.00000
    140       2.8751      0.00000
    141       2.9883      0.00000
    142       3.0923      0.00000
    143       3.1581      0.00000
    144       3.2089      0.00000
    145       3.2643      0.00000
    146       3.2992      0.00000
    147       3.3379      0.00000
    148       3.4948      0.00000
    149       3.5351      0.00000
    150       3.7176      0.00000
    151       3.7389      0.00000
    152       3.7714      0.00000
    153       3.8667      0.00000
    154       3.8797      0.00000
    155       3.9064      0.00000
    156       3.9674      0.00000
    157       4.0086      0.00000
    158       4.0409      0.00000
    159       4.0462      0.00000
    160       4.0929      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3174      1.00000
      2     -21.7591      1.00000
      3     -21.5656      1.00000
      4     -21.5387      1.00000
      5     -21.2027      1.00000
      6     -21.1642      1.00000
      7     -20.9838      1.00000
      8     -20.0964      1.00000
      9     -20.0580      1.00000
     10     -19.5442      1.00000
     11     -19.5242      1.00000
     12     -19.3430      1.00000
     13     -19.0259      1.00000
     14     -18.9863      1.00000
     15     -18.9757      1.00000
     16     -18.9701      1.00000
     17     -18.2941      1.00000
     18     -18.2806      1.00000
     19     -17.9446      1.00000
     20     -16.9984      1.00000
     21     -16.9581      1.00000
     22     -16.8810      1.00000
     23     -16.8682      1.00000
     24     -16.4142      1.00000
     25     -16.3918      1.00000
     26     -15.5389      1.00000
     27     -15.5357      1.00000
     28     -15.1712      1.00000
     29     -15.1697      1.00000
     30     -15.1290      1.00000
     31     -15.0347      1.00000
     32     -14.9994      1.00000
     33     -14.6316      1.00000
     34     -14.6248      1.00000
     35     -13.6610      1.00000
     36     -13.6514      1.00000
     37     -13.1695      1.00000
     38     -12.5711      1.00000
     39     -12.5119      1.00000
     40     -12.3839      1.00000
     41     -12.3834      1.00000
     42     -12.0339      1.00000
     43     -12.0300      1.00000
     44     -11.6529      1.00000
     45     -11.6130      1.00000
     46     -11.2042      1.00000
     47     -11.1557      1.00000
     48     -10.9533      1.00000
     49     -10.9407      1.00000
     50     -10.8586      1.00000
     51     -10.8266      1.00000
     52     -10.6200      1.00000
     53     -10.1439      1.00000
     54     -10.0828      1.00000
     55     -10.0237      1.00000
     56      -9.9431      1.00000
     57      -9.6296      1.00000
     58      -9.6278      1.00000
     59      -9.6013      1.00000
     60      -9.5389      1.00000
     61      -9.5022      1.00000
     62      -9.4779      1.00000
     63      -9.2702      1.00000
     64      -9.2340      1.00000
     65      -9.2054      1.00000
     66      -9.1780      1.00000
     67      -9.0610      1.00000
     68      -9.0456      1.00000
     69      -9.0421      1.00000
     70      -8.8755      1.00000
     71      -8.8071      1.00000
     72      -8.5319      1.00000
     73      -8.5315      1.00000
     74      -8.4951      1.00000
     75      -8.0299      1.00000
     76      -7.8306      1.00000
     77      -7.7968      1.00000
     78      -7.7729      1.00000
     79      -7.7022      1.00000
     80      -7.6832      1.00000
     81      -7.4175      1.00000
     82      -7.2866      1.00000
     83      -7.2506      1.00000
     84      -7.2011      1.00000
     85      -7.0792      1.00000
     86      -7.0778      1.00000
     87      -6.9372      1.00000
     88      -6.7088      1.00000
     89      -6.6725      1.00000
     90      -6.6282      1.00000
     91      -6.5566      1.00000
     92      -6.0702      1.00000
     93      -6.0301      1.00000
     94      -5.9996      1.00000
     95      -5.9368      1.00000
     96      -5.7976      1.00000
     97      -5.1764      1.00000
     98      -4.8915      1.00000
     99      -4.7914      1.00000
    100      -4.6102      1.00000
    101      -4.5118      1.00000
    102      -4.1380      1.00000
    103      -4.0907      1.00000
    104      -3.9308      1.00000
    105      -3.9152      1.00000
    106      -3.8188      1.00000
    107      -1.7516      0.00000
    108      -1.6965      0.00000
    109      -1.4098      0.00000
    110      -1.3712      0.00000
    111      -1.2646      0.00000
    112      -1.2356      0.00000
    113      -0.6253      0.00000
    114      -0.5985      0.00000
    115      -0.1899      0.00000
    116       0.0405      0.00000
    117       0.5929      0.00000
    118       0.7432      0.00000
    119       0.8490      0.00000
    120       0.9296      0.00000
    121       1.1674      0.00000
    122       1.2162      0.00000
    123       1.2501      0.00000
    124       1.4386      0.00000
    125       1.6034      0.00000
    126       1.6521      0.00000
    127       1.7179      0.00000
    128       1.7830      0.00000
    129       1.9183      0.00000
    130       1.9396      0.00000
    131       2.1494      0.00000
    132       2.1881      0.00000
    133       2.2670      0.00000
    134       2.3233      0.00000
    135       2.5615      0.00000
    136       2.5904      0.00000
    137       2.5963      0.00000
    138       2.7673      0.00000
    139       2.7941      0.00000
    140       2.8032      0.00000
    141       2.8940      0.00000
    142       2.9203      0.00000
    143       3.0313      0.00000
    144       3.0534      0.00000
    145       3.1186      0.00000
    146       3.3086      0.00000
    147       3.3244      0.00000
    148       3.3888      0.00000
    149       3.4866      0.00000
    150       3.5852      0.00000
    151       3.6488      0.00000
    152       3.6627      0.00000
    153       3.6839      0.00000
    154       3.9077      0.00000
    155       3.9818      0.00000
    156       4.0211      0.00000
    157       4.0924      0.00000
    158       4.2514      0.00000
    159       4.2640      0.00000
    160       4.2728      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1383      1.00000
      2     -22.0462      1.00000
      3     -21.8840      1.00000
      4     -21.3334      1.00000
      5     -20.9745      1.00000
      6     -20.9454      1.00000
      7     -20.4258      1.00000
      8     -20.3941      1.00000
      9     -20.2142      1.00000
     10     -20.2122      1.00000
     11     -19.8858      1.00000
     12     -19.8222      1.00000
     13     -18.8156      1.00000
     14     -18.7451      1.00000
     15     -18.2639      1.00000
     16     -18.2499      1.00000
     17     -18.0786      1.00000
     18     -18.0719      1.00000
     19     -17.7441      1.00000
     20     -17.7285      1.00000
     21     -17.1933      1.00000
     22     -17.1699      1.00000
     23     -17.0874      1.00000
     24     -17.0663      1.00000
     25     -16.0520      1.00000
     26     -15.8066      1.00000
     27     -15.7971      1.00000
     28     -15.7761      1.00000
     29     -15.1579      1.00000
     30     -14.4838      1.00000
     31     -14.4627      1.00000
     32     -14.2029      1.00000
     33     -13.9148      1.00000
     34     -13.8851      1.00000
     35     -13.7578      1.00000
     36     -13.7373      1.00000
     37     -13.5347      1.00000
     38     -13.5089      1.00000
     39     -13.2994      1.00000
     40     -12.5746      1.00000
     41     -12.0997      1.00000
     42     -12.0756      1.00000
     43     -11.9967      1.00000
     44     -11.9491      1.00000
     45     -11.6041      1.00000
     46     -11.5967      1.00000
     47     -11.0827      1.00000
     48     -11.0597      1.00000
     49     -10.7300      1.00000
     50     -10.6629      1.00000
     51     -10.5528      1.00000
     52     -10.1383      1.00000
     53     -10.1337      1.00000
     54     -10.0993      1.00000
     55      -9.9647      1.00000
     56      -9.9240      1.00000
     57      -9.9201      1.00000
     58      -9.7492      1.00000
     59      -9.7278      1.00000
     60      -9.6961      1.00000
     61      -9.6935      1.00000
     62      -9.3979      1.00000
     63      -9.3876      1.00000
     64      -9.0660      1.00000
     65      -8.9804      1.00000
     66      -8.9802      1.00000
     67      -8.9043      1.00000
     68      -8.8107      1.00000
     69      -8.6481      1.00000
     70      -8.6325      1.00000
     71      -8.5441      1.00000
     72      -8.5001      1.00000
     73      -8.4813      1.00000
     74      -8.3930      1.00000
     75      -8.3814      1.00000
     76      -8.2076      1.00000
     77      -8.0993      1.00000
     78      -8.0054      1.00000
     79      -7.8997      1.00000
     80      -7.8416      1.00000
     81      -7.6202      1.00000
     82      -7.5322      1.00000
     83      -7.4554      1.00000
     84      -7.2608      1.00000
     85      -6.9415      1.00000
     86      -6.8681      1.00000
     87      -6.8093      1.00000
     88      -6.4768      1.00000
     89      -6.4673      1.00000
     90      -6.4085      1.00000
     91      -6.3585      1.00000
     92      -6.1833      1.00000
     93      -5.8569      1.00000
     94      -5.7368      1.00000
     95      -5.7102      1.00000
     96      -5.5200      1.00000
     97      -5.3278      1.00000
     98      -5.1714      1.00000
     99      -5.1667      1.00000
    100      -5.1331      1.00000
    101      -4.6948      1.00000
    102      -4.3488      1.00000
    103      -4.2767      1.00000
    104      -4.0258      1.00000
    105      -3.8208      1.00000
    106      -3.2329      1.00000
    107      -2.4057      0.00000
    108      -1.3446      0.00000
    109      -1.2436      0.00000
    110      -1.1538      0.00000
    111      -1.1083      0.00000
    112      -0.5837      0.00000
    113      -0.5217      0.00000
    114      -0.4339      0.00000
    115      -0.2747      0.00000
    116      -0.0722      0.00000
    117      -0.0118      0.00000
    118       0.0598      0.00000
    119       0.5840      0.00000
    120       0.7103      0.00000
    121       0.8192      0.00000
    122       0.9531      0.00000
    123       1.1937      0.00000
    124       1.5302      0.00000
    125       1.6308      0.00000
    126       1.8837      0.00000
    127       2.0229      0.00000
    128       2.0603      0.00000
    129       2.0925      0.00000
    130       2.1374      0.00000
    131       2.2275      0.00000
    132       2.2868      0.00000
    133       2.3386      0.00000
    134       2.4304      0.00000
    135       2.6105      0.00000
    136       2.7142      0.00000
    137       2.8474      0.00000
    138       2.9146      0.00000
    139       2.9447      0.00000
    140       3.0214      0.00000
    141       3.0579      0.00000
    142       3.1297      0.00000
    143       3.1750      0.00000
    144       3.2277      0.00000
    145       3.3088      0.00000
    146       3.3225      0.00000
    147       3.3616      0.00000
    148       3.3806      0.00000
    149       3.4352      0.00000
    150       3.4572      0.00000
    151       3.5653      0.00000
    152       3.6112      0.00000
    153       3.6584      0.00000
    154       3.7023      0.00000
    155       3.8697      0.00000
    156       3.9117      0.00000
    157       3.9459      0.00000
    158       3.9676      0.00000
    159       4.1782      0.00000
    160       4.2056      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2112      1.00000
      2     -22.0063      1.00000
      3     -21.6442      1.00000
      4     -21.6133      1.00000
      5     -20.9077      1.00000
      6     -20.8674      1.00000
      7     -20.5371      1.00000
      8     -20.5049      1.00000
      9     -20.4982      1.00000
     10     -19.9606      1.00000
     11     -19.4390      1.00000
     12     -19.4171      1.00000
     13     -19.2383      1.00000
     14     -19.2311      1.00000
     15     -18.3743      1.00000
     16     -18.3396      1.00000
     17     -17.8572      1.00000
     18     -17.8412      1.00000
     19     -17.6896      1.00000
     20     -17.6540      1.00000
     21     -17.3708      1.00000
     22     -17.3566      1.00000
     23     -17.2660      1.00000
     24     -16.4117      1.00000
     25     -16.3885      1.00000
     26     -15.9030      1.00000
     27     -15.3418      1.00000
     28     -15.3370      1.00000
     29     -15.0294      1.00000
     30     -15.0199      1.00000
     31     -14.7751      1.00000
     32     -14.7730      1.00000
     33     -14.2360      1.00000
     34     -14.1857      1.00000
     35     -13.3861      1.00000
     36     -13.3322      1.00000
     37     -13.1096      1.00000
     38     -13.1017      1.00000
     39     -12.9160      1.00000
     40     -12.9104      1.00000
     41     -12.5440      1.00000
     42     -12.5365      1.00000
     43     -12.1322      1.00000
     44     -11.5118      1.00000
     45     -11.4679      1.00000
     46     -11.2429      1.00000
     47     -11.2117      1.00000
     48     -11.0849      1.00000
     49     -10.7012      1.00000
     50     -10.5941      1.00000
     51     -10.5061      1.00000
     52     -10.2502      1.00000
     53     -10.2461      1.00000
     54     -10.1194      1.00000
     55     -10.0527      1.00000
     56     -10.0380      1.00000
     57      -9.7825      1.00000
     58      -9.6857      1.00000
     59      -9.6722      1.00000
     60      -9.6365      1.00000
     61      -9.6269      1.00000
     62      -9.5846      1.00000
     63      -9.2941      1.00000
     64      -9.2823      1.00000
     65      -9.2515      1.00000
     66      -9.0603      1.00000
     67      -8.8936      1.00000
     68      -8.8826      1.00000
     69      -8.7174      1.00000
     70      -8.5775      1.00000
     71      -8.5247      1.00000
     72      -8.3489      1.00000
     73      -8.3035      1.00000
     74      -8.2422      1.00000
     75      -8.2366      1.00000
     76      -8.1933      1.00000
     77      -8.1808      1.00000
     78      -8.1684      1.00000
     79      -8.1032      1.00000
     80      -7.6878      1.00000
     81      -7.4223      1.00000
     82      -7.3422      1.00000
     83      -7.2588      1.00000
     84      -7.1678      1.00000
     85      -7.1088      1.00000
     86      -7.0050      1.00000
     87      -6.9026      1.00000
     88      -6.8481      1.00000
     89      -6.5409      1.00000
     90      -6.4977      1.00000
     91      -6.2060      1.00000
     92      -6.2006      1.00000
     93      -5.8936      1.00000
     94      -5.6714      1.00000
     95      -5.6049      1.00000
     96      -5.5791      1.00000
     97      -5.2525      1.00000
     98      -5.2301      1.00000
     99      -5.1640      1.00000
    100      -5.1338      1.00000
    101      -4.5985      1.00000
    102      -4.2472      1.00000
    103      -4.0422      1.00000
    104      -3.8839      1.00000
    105      -3.8359      1.00000
    106      -3.7983      1.00000
    107      -1.8079      0.00000
    108      -1.7813      0.00000
    109      -1.2246      0.00000
    110      -1.1753      0.00000
    111      -0.9741      0.00000
    112      -0.7345      0.00000
    113      -0.6502      0.00000
    114      -0.5940      0.00000
    115      -0.5495      0.00000
    116      -0.1557      0.00000
    117       0.1759      0.00000
    118       0.2880      0.00000
    119       0.7158      0.00000
    120       0.9582      0.00000
    121       1.1711      0.00000
    122       1.2776      0.00000
    123       1.3556      0.00000
    124       1.5252      0.00000
    125       1.6173      0.00000
    126       1.6376      0.00000
    127       1.6957      0.00000
    128       1.7818      0.00000
    129       1.8755      0.00000
    130       2.0411      0.00000
    131       2.1670      0.00000
    132       2.2856      0.00000
    133       2.4210      0.00000
    134       2.4217      0.00000
    135       2.5758      0.00000
    136       2.6399      0.00000
    137       2.6957      0.00000
    138       2.7010      0.00000
    139       2.7745      0.00000
    140       2.9149      0.00000
    141       3.0601      0.00000
    142       3.0740      0.00000
    143       3.2028      0.00000
    144       3.2910      0.00000
    145       3.4050      0.00000
    146       3.4222      0.00000
    147       3.4658      0.00000
    148       3.5508      0.00000
    149       3.5888      0.00000
    150       3.6413      0.00000
    151       3.6745      0.00000
    152       3.7014      0.00000
    153       3.7561      0.00000
    154       3.7601      0.00000
    155       3.8416      0.00000
    156       3.9139      0.00000
    157       3.9160      0.00000
    158       3.9815      0.00000
    159       4.2024      0.00000
    160       4.2393      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     -21.5334      1.00000
      3     -21.4049      1.00000
      4     -21.4041      1.00000
      5     -21.3729      1.00000
      6     -21.3639      1.00000
      7     -21.3565      1.00000
      8     -19.6434      1.00000
      9     -19.5700      1.00000
     10     -19.5631      1.00000
     11     -19.5566      1.00000
     12     -19.5386      1.00000
     13     -19.5358      1.00000
     14     -18.7257      1.00000
     15     -18.6777      1.00000
     16     -18.6702      1.00000
     17     -18.6568      1.00000
     18     -18.6416      1.00000
     19     -18.6399      1.00000
     20     -16.5837      1.00000
     21     -16.5249      1.00000
     22     -16.5225      1.00000
     23     -16.5098      1.00000
     24     -16.4855      1.00000
     25     -16.4836      1.00000
     26     -15.5564      1.00000
     27     -15.5244      1.00000
     28     -15.5237      1.00000
     29     -15.4979      1.00000
     30     -15.4929      1.00000
     31     -15.4873      1.00000
     32     -14.2043      1.00000
     33     -14.1784      1.00000
     34     -14.1659      1.00000
     35     -14.1633      1.00000
     36     -14.1582      1.00000
     37     -14.1473      1.00000
     38     -11.8811      1.00000
     39     -11.8067      1.00000
     40     -11.7906      1.00000
     41     -11.7906      1.00000
     42     -11.7872      1.00000
     43     -11.7816      1.00000
     44     -11.7028      1.00000
     45     -11.6965      1.00000
     46     -11.6710      1.00000
     47     -11.6562      1.00000
     48     -11.6560      1.00000
     49     -11.6490      1.00000
     50     -10.6684      1.00000
     51     -10.3273      1.00000
     52     -10.3191      1.00000
     53     -10.3039      1.00000
     54     -10.3024      1.00000
     55     -10.2896      1.00000
     56     -10.2764      1.00000
     57      -9.9218      1.00000
     58      -9.3708      1.00000
     59      -9.3578      1.00000
     60      -9.2988      1.00000
     61      -9.2907      1.00000
     62      -9.2839      1.00000
     63      -9.0902      1.00000
     64      -9.0529      1.00000
     65      -9.0479      1.00000
     66      -9.0251      1.00000
     67      -9.0056      1.00000
     68      -9.0005      1.00000
     69      -8.9994      1.00000
     70      -8.9934      1.00000
     71      -8.9907      1.00000
     72      -8.9712      1.00000
     73      -8.9634      1.00000
     74      -8.9534      1.00000
     75      -8.4890      1.00000
     76      -7.5156      1.00000
     77      -7.4093      1.00000
     78      -7.4090      1.00000
     79      -7.3957      1.00000
     80      -7.3824      1.00000
     81      -7.3632      1.00000
     82      -7.3400      1.00000
     83      -7.3105      1.00000
     84      -7.2658      1.00000
     85      -7.2050      1.00000
     86      -7.1790      1.00000
     87      -7.1788      1.00000
     88      -7.0792      1.00000
     89      -6.5053      1.00000
     90      -6.4592      1.00000
     91      -6.3533      1.00000
     92      -6.2931      1.00000
     93      -6.2869      1.00000
     94      -6.2857      1.00000
     95      -5.8962      1.00000
     96      -5.8839      1.00000
     97      -5.0395      1.00000
     98      -4.9341      1.00000
     99      -4.5350      1.00000
    100      -4.3402      1.00000
    101      -4.3175      1.00000
    102      -4.3164      1.00000
    103      -4.1166      1.00000
    104      -3.9113      1.00000
    105      -3.9012      1.00000
    106      -3.8245      1.00000
    107      -1.6811      0.00000
    108      -1.6678      0.00000
    109      -1.5366      0.00000
    110      -1.5347      0.00000
    111      -1.5235      0.00000
    112      -1.5091      0.00000
    113      -0.5876      0.00000
    114       0.1334      0.00000
    115       0.2068      0.00000
    116       0.3246      0.00000
    117       0.3265      0.00000
    118       0.3338      0.00000
    119       0.4939      0.00000
    120       0.6083      0.00000
    121       1.2614      0.00000
    122       1.2880      0.00000
    123       1.5410      0.00000
    124       1.7553      0.00000
    125       1.8157      0.00000
    126       1.8196      0.00000
    127       1.8248      0.00000
    128       1.9470      0.00000
    129       1.9919      0.00000
    130       2.0313      0.00000
    131       2.0452      0.00000
    132       2.0504      0.00000
    133       2.0571      0.00000
    134       2.0654      0.00000
    135       2.3179      0.00000
    136       2.3274      0.00000
    137       2.6456      0.00000
    138       2.6549      0.00000
    139       2.6854      0.00000
    140       2.7318      0.00000
    141       2.8856      0.00000
    142       2.9959      0.00000
    143       3.0172      0.00000
    144       3.0345      0.00000
    145       3.0352      0.00000
    146       3.0397      0.00000
    147       3.0916      0.00000
    148       3.2484      0.00000
    149       3.4371      0.00000
    150       3.5579      0.00000
    151       3.7809      0.00000
    152       3.9480      0.00000
    153       3.9551      0.00000
    154       3.9618      0.00000
    155       3.9626      0.00000
    156       4.0106      0.00000
    157       4.1874      0.00000
    158       4.2697      0.00000
    159       4.2932      0.00000
    160       4.2947      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     -21.5358      1.00000
      5     -21.2054      1.00000
      6     -21.1609      1.00000
      7     -20.9851      1.00000
      8     -20.0994      1.00000
      9     -20.0557      1.00000
     10     -19.5441      1.00000
     11     -19.5197      1.00000
     12     -19.3471      1.00000
     13     -19.0225      1.00000
     14     -18.9877      1.00000
     15     -18.9795      1.00000
     16     -18.9674      1.00000
     17     -18.2954      1.00000
     18     -18.2763      1.00000
     19     -17.9502      1.00000
     20     -17.0076      1.00000
     21     -16.9580      1.00000
     22     -16.8769      1.00000
     23     -16.8673      1.00000
     24     -16.4032      1.00000
     25     -16.3885      1.00000
     26     -15.5498      1.00000
     27     -15.5340      1.00000
     28     -15.1957      1.00000
     29     -15.1674      1.00000
     30     -15.1129      1.00000
     31     -15.0259      1.00000
     32     -15.0013      1.00000
     33     -14.6344      1.00000
     34     -14.6227      1.00000
     35     -13.6656      1.00000
     36     -13.6504      1.00000
     37     -13.1680      1.00000
     38     -12.5493      1.00000
     39     -12.5164      1.00000
     40     -12.3891      1.00000
     41     -12.3761      1.00000
     42     -12.0556      1.00000
     43     -12.0330      1.00000
     44     -11.6571      1.00000
     45     -11.6155      1.00000
     46     -11.1789      1.00000
     47     -11.1555      1.00000
     48     -10.9628      1.00000
     49     -10.9390      1.00000
     50     -10.8714      1.00000
     51     -10.8356      1.00000
     52     -10.5984      1.00000
     53     -10.0913      1.00000
     54     -10.0868      1.00000
     55     -10.0436      1.00000
     56      -9.9683      1.00000
     57      -9.6523      1.00000
     58      -9.6277      1.00000
     59      -9.5903      1.00000
     60      -9.5280      1.00000
     61      -9.5093      1.00000
     62      -9.4778      1.00000
     63      -9.2622      1.00000
     64      -9.2397      1.00000
     65      -9.2192      1.00000
     66      -9.1649      1.00000
     67      -9.0669      1.00000
     68      -9.0453      1.00000
     69      -9.0395      1.00000
     70      -8.8809      1.00000
     71      -8.8048      1.00000
     72      -8.5740      1.00000
     73      -8.5211      1.00000
     74      -8.4547      1.00000
     75      -8.0339      1.00000
     76      -7.8088      1.00000
     77      -7.8053      1.00000
     78      -7.7911      1.00000
     79      -7.6989      1.00000
     80      -7.6895      1.00000
     81      -7.3670      1.00000
     82      -7.2720      1.00000
     83      -7.2634      1.00000
     84      -7.2161      1.00000
     85      -7.1717      1.00000
     86      -7.0081      1.00000
     87      -6.9462      1.00000
     88      -6.7440      1.00000
     89      -6.6708      1.00000
     90      -6.5935      1.00000
     91      -6.5584      1.00000
     92      -6.0492      1.00000
     93      -6.0450      1.00000
     94      -6.0203      1.00000
     95      -5.9581      1.00000
     96      -5.7352      1.00000
     97      -5.1498      1.00000
     98      -4.9868      1.00000
     99      -4.7166      1.00000
    100      -4.6102      1.00000
    101      -4.4382      1.00000
    102      -4.3726      1.00000
    103      -4.1207      1.00000
    104      -3.8674      1.00000
    105      -3.8257      1.00000
    106      -3.7900      1.00000
    107      -1.7850      0.00000
    108      -1.7385      0.00000
    109      -1.3942      0.00000
    110      -1.3459      0.00000
    111      -1.2649      0.00000
    112      -1.2258      0.00000
    113      -0.7457      0.00000
    114      -0.3802      0.00000
    115      -0.2204      0.00000
    116      -0.0202      0.00000
    117       0.5970      0.00000
    118       0.7408      0.00000
    119       0.7654      0.00000
    120       1.0506      0.00000
    121       1.1416      0.00000
    122       1.2517      0.00000
    123       1.2798      0.00000
    124       1.4242      0.00000
    125       1.4910      0.00000
    126       1.6010      0.00000
    127       1.7454      0.00000
    128       1.8398      0.00000
    129       1.8934      0.00000
    130       1.9623      0.00000
    131       2.0989      0.00000
    132       2.2548      0.00000
    133       2.2622      0.00000
    134       2.3208      0.00000
    135       2.5013      0.00000
    136       2.5877      0.00000
    137       2.6495      0.00000
    138       2.7790      0.00000
    139       2.7913      0.00000
    140       2.8149      0.00000
    141       2.8699      0.00000
    142       2.8865      0.00000
    143       2.9428      0.00000
    144       3.1145      0.00000
    145       3.2946      0.00000
    146       3.3065      0.00000
    147       3.3437      0.00000
    148       3.3694      0.00000
    149       3.4756      0.00000
    150       3.5707      0.00000
    151       3.6207      0.00000
    152       3.6794      0.00000
    153       3.7135      0.00000
    154       3.9216      0.00000
    155       3.9381      0.00000
    156       3.9928      0.00000
    157       4.0848      0.00000
    158       4.2121      0.00000
    159       4.2577      0.00000
    160       4.3035      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2116      1.00000
      2     -22.0057      1.00000
      3     -21.6469      1.00000
      4     -21.6102      1.00000
      5     -20.9106      1.00000
      6     -20.8647      1.00000
      7     -20.5434      1.00000
      8     -20.5043      1.00000
      9     -20.4940      1.00000
     10     -19.9616      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     -18.3382      1.00000
     17     -17.8581      1.00000
     18     -17.8373      1.00000
     19     -17.6959      1.00000
     20     -17.6537      1.00000
     21     -17.3703      1.00000
     22     -17.3545      1.00000
     23     -17.2728      1.00000
     24     -16.3996      1.00000
     25     -16.3849      1.00000
     26     -15.8946      1.00000
     27     -15.3506      1.00000
     28     -15.3354      1.00000
     29     -15.0329      1.00000
     30     -15.0192      1.00000
     31     -14.7980      1.00000
     32     -14.7734      1.00000
     33     -14.2202      1.00000
     34     -14.1884      1.00000
     35     -13.3693      1.00000
     36     -13.3359      1.00000
     37     -13.1182      1.00000
     38     -13.1009      1.00000
     39     -12.9142      1.00000
     40     -12.9009      1.00000
     41     -12.5551      1.00000
     42     -12.5373      1.00000
     43     -12.1316      1.00000
     44     -11.5197      1.00000
     45     -11.4723      1.00000
     46     -11.2516      1.00000
     47     -11.2183      1.00000
     48     -11.0780      1.00000
     49     -10.6554      1.00000
     50     -10.5876      1.00000
     51     -10.5200      1.00000
     52     -10.2560      1.00000
     53     -10.2475      1.00000
     54     -10.1208      1.00000
     55     -10.0475      1.00000
     56     -10.0398      1.00000
     57      -9.7671      1.00000
     58      -9.7034      1.00000
     59      -9.6784      1.00000
     60      -9.6293      1.00000
     61      -9.6251      1.00000
     62      -9.5864      1.00000
     63      -9.2928      1.00000
     64      -9.2837      1.00000
     65      -9.2517      1.00000
     66      -9.0832      1.00000
     67      -8.8956      1.00000
     68      -8.8820      1.00000
     69      -8.7233      1.00000
     70      -8.5857      1.00000
     71      -8.5127      1.00000
     72      -8.3293      1.00000
     73      -8.3010      1.00000
     74      -8.2629      1.00000
     75      -8.2316      1.00000
     76      -8.1940      1.00000
     77      -8.1851      1.00000
     78      -8.1695      1.00000
     79      -8.0963      1.00000
     80      -7.6869      1.00000
     81      -7.3591      1.00000
     82      -7.3095      1.00000
     83      -7.2649      1.00000
     84      -7.1860      1.00000
     85      -7.1250      1.00000
     86      -7.0758      1.00000
     87      -6.9057      1.00000
     88      -6.8816      1.00000
     89      -6.5483      1.00000
     90      -6.4915      1.00000
     91      -6.2087      1.00000
     92      -6.0669      1.00000
     93      -5.9396      1.00000
     94      -5.7119      1.00000
     95      -5.6316      1.00000
     96      -5.4506      1.00000
     97      -5.3032      1.00000
     98      -5.2331      1.00000
     99      -5.1512      1.00000
    100      -5.1506      1.00000
    101      -4.5188      1.00000
    102      -4.4697      1.00000
    103      -4.1392      1.00000
    104      -3.8286      1.00000
    105      -3.7564      1.00000
    106      -3.6801      1.00000
    107      -1.8708      0.00000
    108      -1.8239      0.00000
    109      -1.2768      0.00000
    110      -1.0360      0.00000
    111      -1.0119      0.00000
    112      -0.7127      0.00000
    113      -0.6399      0.00000
    114      -0.5885      0.00000
    115      -0.5460      0.00000
    116      -0.2053      0.00000
    117       0.2520      0.00000
    118       0.2785      0.00000
    119       0.7701      0.00000
    120       0.9515      0.00000
    121       1.1365      0.00000
    122       1.2325      0.00000
    123       1.3245      0.00000
    124       1.4188      0.00000
    125       1.6130      0.00000
    126       1.6358      0.00000
    127       1.7240      0.00000
    128       1.8195      0.00000
    129       1.9361      0.00000
    130       2.0361      0.00000
    131       2.0656      0.00000
    132       2.2841      0.00000
    133       2.4004      0.00000
    134       2.4523      0.00000
    135       2.5552      0.00000
    136       2.6470      0.00000
    137       2.7098      0.00000
    138       2.7784      0.00000
    139       2.8475      0.00000
    140       2.8943      0.00000
    141       3.0502      0.00000
    142       3.1049      0.00000
    143       3.2078      0.00000
    144       3.2511      0.00000
    145       3.3962      0.00000
    146       3.4324      0.00000
    147       3.5031      0.00000
    148       3.5861      0.00000
    149       3.6124      0.00000
    150       3.6331      0.00000
    151       3.6555      0.00000
    152       3.7395      0.00000
    153       3.7531      0.00000
    154       3.7643      0.00000
    155       3.8052      0.00000
    156       3.9026      0.00000
    157       3.9932      0.00000
    158       4.0184      0.00000
    159       4.1917      0.00000
    160       4.2228      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     -21.8210      1.00000
      4     -21.3093      1.00000
      5     -21.2794      1.00000
      6     -20.7682      1.00000
      7     -20.7026      1.00000
      8     -20.5540      1.00000
      9     -20.0067      1.00000
     10     -19.9993      1.00000
     11     -19.6457      1.00000
     12     -19.6216      1.00000
     13     -18.9274      1.00000
     14     -18.9189      1.00000
     15     -18.5686      1.00000
     16     -18.5548      1.00000
     17     -18.3919      1.00000
     18     -17.6127      1.00000
     19     -17.5569      1.00000
     20     -17.5517      1.00000
     21     -17.5102      1.00000
     22     -17.0539      1.00000
     23     -17.0364      1.00000
     24     -16.8899      1.00000
     25     -15.9281      1.00000
     26     -15.8652      1.00000
     27     -15.5143      1.00000
     28     -15.5137      1.00000
     29     -15.2265      1.00000
     30     -14.7926      1.00000
     31     -14.7655      1.00000
     32     -14.5135      1.00000
     33     -14.4694      1.00000
     34     -14.1001      1.00000
     35     -14.0889      1.00000
     36     -13.0748      1.00000
     37     -13.0308      1.00000
     38     -12.9648      1.00000
     39     -12.9531      1.00000
     40     -12.6435      1.00000
     41     -12.6369      1.00000
     42     -12.2721      1.00000
     43     -12.2408      1.00000
     44     -11.5853      1.00000
     45     -11.5592      1.00000
     46     -11.5047      1.00000
     47     -10.9018      1.00000
     48     -10.8493      1.00000
     49     -10.6174      1.00000
     50     -10.5576      1.00000
     51     -10.4824      1.00000
     52     -10.4320      1.00000
     53     -10.4221      1.00000
     54     -10.3697      1.00000
     55     -10.2919      1.00000
     56     -10.0626      1.00000
     57      -9.8316      1.00000
     58      -9.5463      1.00000
     59      -9.4864      1.00000
     60      -9.4669      1.00000
     61      -9.3447      1.00000
     62      -9.3292      1.00000
     63      -9.3089      1.00000
     64      -9.3066      1.00000
     65      -9.2125      1.00000
     66      -9.1102      1.00000
     67      -9.0793      1.00000
     68      -9.0484      1.00000
     69      -8.8447      1.00000
     70      -8.7914      1.00000
     71      -8.7724      1.00000
     72      -8.5256      1.00000
     73      -8.4727      1.00000
     74      -8.2178      1.00000
     75      -8.1084      1.00000
     76      -8.0980      1.00000
     77      -7.8053      1.00000
     78      -7.7814      1.00000
     79      -7.7800      1.00000
     80      -7.6716      1.00000
     81      -7.6306      1.00000
     82      -7.6291      1.00000
     83      -7.4025      1.00000
     84      -7.3231      1.00000
     85      -7.2054      1.00000
     86      -6.8383      1.00000
     87      -6.8280      1.00000
     88      -6.6577      1.00000
     89      -6.5375      1.00000
     90      -6.3430      1.00000
     91      -6.3055      1.00000
     92      -6.1834      1.00000
     93      -6.1461      1.00000
     94      -5.9763      1.00000
     95      -5.5703      1.00000
     96      -5.4246      1.00000
     97      -5.2578      1.00000
     98      -5.2440      1.00000
     99      -5.1478      1.00000
    100      -4.6942      1.00000
    101      -4.6644      1.00000
    102      -4.3495      1.00000
    103      -4.3113      1.00000
    104      -3.9626      1.00000
    105      -3.8210      1.00000
    106      -3.3903      1.00000
    107      -2.2199      0.00000
    108      -1.3762      0.00000
    109      -1.2864      0.00000
    110      -1.1733      0.00000
    111      -1.0778      0.00000
    112      -0.8938      0.00000
    113      -0.7683      0.00000
    114      -0.7572      0.00000
    115      -0.2217      0.00000
    116       0.1129      0.00000
    117       0.2636      0.00000
    118       0.3458      0.00000
    119       0.7446      0.00000
    120       0.9055      0.00000
    121       0.9734      0.00000
    122       1.1009      0.00000
    123       1.2163      0.00000
    124       1.5381      0.00000
    125       1.5896      0.00000
    126       1.7213      0.00000
    127       1.8392      0.00000
    128       1.8628      0.00000
    129       1.9451      0.00000
    130       2.0295      0.00000
    131       2.1477      0.00000
    132       2.2947      0.00000
    133       2.4067      0.00000
    134       2.4695      0.00000
    135       2.4793      0.00000
    136       2.6667      0.00000
    137       2.6877      0.00000
    138       2.7486      0.00000
    139       2.7551      0.00000
    140       2.9061      0.00000
    141       3.0379      0.00000
    142       3.0953      0.00000
    143       3.1700      0.00000
    144       3.2121      0.00000
    145       3.2571      0.00000
    146       3.2808      0.00000
    147       3.3678      0.00000
    148       3.4941      0.00000
    149       3.5534      0.00000
    150       3.7130      0.00000
    151       3.7639      0.00000
    152       3.7709      0.00000
    153       3.8301      0.00000
    154       3.8971      0.00000
    155       3.9637      0.00000
    156       3.9765      0.00000
    157       4.0022      0.00000
    158       4.0372      0.00000
    159       4.0394      0.00000
    160       4.1127      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1391      1.00000
      2     -22.0449      1.00000
      3     -21.8845      1.00000
      4     -21.3325      1.00000
      5     -20.9794      1.00000
      6     -20.9413      1.00000
      7     -20.4310      1.00000
      8     -20.3888      1.00000
      9     -20.2245      1.00000
     10     -20.2033      1.00000
     11     -19.8869      1.00000
     12     -19.8197      1.00000
     13     -18.8127      1.00000
     14     -18.7421      1.00000
     15     -18.2877      1.00000
     16     -18.2348      1.00000
     17     -18.0839      1.00000
     18     -18.0642      1.00000
     19     -17.7595      1.00000
     20     -17.7176      1.00000
     21     -17.1870      1.00000
     22     -17.1685      1.00000
     23     -17.0981      1.00000
     24     -17.0622      1.00000
     25     -16.0359      1.00000
     26     -15.8209      1.00000
     27     -15.7979      1.00000
     28     -15.7631      1.00000
     29     -15.1722      1.00000
     30     -14.4893      1.00000
     31     -14.4569      1.00000
     32     -14.2163      1.00000
     33     -13.8935      1.00000
     34     -13.8885      1.00000
     35     -13.7545      1.00000
     36     -13.7345      1.00000
     37     -13.5498      1.00000
     38     -13.5017      1.00000
     39     -13.2979      1.00000
     40     -12.5624      1.00000
     41     -12.1232      1.00000
     42     -12.0648      1.00000
     43     -12.0079      1.00000
     44     -11.9499      1.00000
     45     -11.6092      1.00000
     46     -11.5867      1.00000
     47     -11.0832      1.00000
     48     -11.0507      1.00000
     49     -10.7501      1.00000
     50     -10.6625      1.00000
     51     -10.5210      1.00000
     52     -10.1469      1.00000
     53     -10.1368      1.00000
     54     -10.0948      1.00000
     55      -9.9515      1.00000
     56      -9.9460      1.00000
     57      -9.9158      1.00000
     58      -9.7360      1.00000
     59      -9.7297      1.00000
     60      -9.6994      1.00000
     61      -9.6894      1.00000
     62      -9.4259      1.00000
     63      -9.3614      1.00000
     64      -9.0827      1.00000
     65      -9.0051      1.00000
     66      -8.9733      1.00000
     67      -8.8867      1.00000
     68      -8.8099      1.00000
     69      -8.6560      1.00000
     70      -8.6335      1.00000
     71      -8.5750      1.00000
     72      -8.4770      1.00000
     73      -8.4660      1.00000
     74      -8.3966      1.00000
     75      -8.3931      1.00000
     76      -8.1823      1.00000
     77      -8.1112      1.00000
     78      -7.9760      1.00000
     79      -7.9123      1.00000
     80      -7.8455      1.00000
     81      -7.6146      1.00000
     82      -7.5294      1.00000
     83      -7.4681      1.00000
     84      -7.2649      1.00000
     85      -6.9330      1.00000
     86      -6.8570      1.00000
     87      -6.8103      1.00000
     88      -6.5706      1.00000
     89      -6.4654      1.00000
     90      -6.4195      1.00000
     91      -6.3558      1.00000
     92      -6.0487      1.00000
     93      -5.8755      1.00000
     94      -5.7516      1.00000
     95      -5.7206      1.00000
     96      -5.4741      1.00000
     97      -5.3441      1.00000
     98      -5.1791      1.00000
     99      -5.1551      1.00000
    100      -5.1538      1.00000
    101      -4.7055      1.00000
    102      -4.4406      1.00000
    103      -4.2522      1.00000
    104      -3.9935      1.00000
    105      -3.8199      1.00000
    106      -3.1565      1.00000
    107      -2.4630      0.00000
    108      -1.3781      0.00000
    109      -1.2410      0.00000
    110      -1.1463      0.00000
    111      -1.1146      0.00000
    112      -0.5646      0.00000
    113      -0.4348      0.00000
    114      -0.4304      0.00000
    115      -0.3103      0.00000
    116      -0.1908      0.00000
    117       0.0617      0.00000
    118       0.1158      0.00000
    119       0.5401      0.00000
    120       0.6839      0.00000
    121       0.8810      0.00000
    122       0.9788      0.00000
    123       1.1205      0.00000
    124       1.5050      0.00000
    125       1.6784      0.00000
    126       1.8363      0.00000
    127       1.8940      0.00000
    128       2.0846      0.00000
    129       2.1176      0.00000
    130       2.1687      0.00000
    131       2.2193      0.00000
    132       2.3293      0.00000
    133       2.3408      0.00000
    134       2.4828      0.00000
    135       2.5640      0.00000
    136       2.6870      0.00000
    137       2.8899      0.00000
    138       2.9383      0.00000
    139       2.9782      0.00000
    140       3.0004      0.00000
    141       3.0548      0.00000
    142       3.1414      0.00000
    143       3.1663      0.00000
    144       3.2549      0.00000
    145       3.3043      0.00000
    146       3.3426      0.00000
    147       3.3542      0.00000
    148       3.3888      0.00000
    149       3.4219      0.00000
    150       3.5114      0.00000
    151       3.5630      0.00000
    152       3.6236      0.00000
    153       3.6550      0.00000
    154       3.7030      0.00000
    155       3.7258      0.00000
    156       3.9326      0.00000
    157       3.9450      0.00000
    158       4.0747      0.00000
    159       4.1160      0.00000
    160       4.2248      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     -21.8196      1.00000
      4     -21.3139      1.00000
      5     -21.2754      1.00000
      6     -20.7692      1.00000
      7     -20.7007      1.00000
      8     -20.5525      1.00000
      9     -20.0205      1.00000
     10     -19.9885      1.00000
     11     -19.6482      1.00000
     12     -19.6174      1.00000
     13     -18.9412      1.00000
     14     -18.9068      1.00000
     15     -18.5819      1.00000
     16     -18.5449      1.00000
     17     -18.3902      1.00000
     18     -17.5998      1.00000
     19     -17.5689      1.00000
     20     -17.5396      1.00000
     21     -17.5069      1.00000
     22     -17.0724      1.00000
     23     -17.0260      1.00000
     24     -16.8985      1.00000
     25     -15.9438      1.00000
     26     -15.8492      1.00000
     27     -15.5312      1.00000
     28     -15.5049      1.00000
     29     -15.2077      1.00000
     30     -14.8118      1.00000
     31     -14.7598      1.00000
     32     -14.5079      1.00000
     33     -14.4664      1.00000
     34     -14.0944      1.00000
     35     -14.0914      1.00000
     36     -13.1029      1.00000
     37     -13.0277      1.00000
     38     -12.9552      1.00000
     39     -12.9481      1.00000
     40     -12.6540      1.00000
     41     -12.6260      1.00000
     42     -12.2721      1.00000
     43     -12.2452      1.00000
     44     -11.5713      1.00000
     45     -11.5521      1.00000
     46     -11.4988      1.00000
     47     -10.8759      1.00000
     48     -10.8666      1.00000
     49     -10.6773      1.00000
     50     -10.5239      1.00000
     51     -10.5179      1.00000
     52     -10.4318      1.00000
     53     -10.4143      1.00000
     54     -10.3687      1.00000
     55     -10.2864      1.00000
     56     -10.0580      1.00000
     57      -9.8306      1.00000
     58      -9.5567      1.00000
     59      -9.4832      1.00000
     60      -9.4415      1.00000
     61      -9.3539      1.00000
     62      -9.3378      1.00000
     63      -9.3064      1.00000
     64      -9.3009      1.00000
     65      -9.2044      1.00000
     66      -9.0980      1.00000
     67      -9.0672      1.00000
     68      -9.0476      1.00000
     69      -8.8473      1.00000
     70      -8.7951      1.00000
     71      -8.7762      1.00000
     72      -8.5253      1.00000
     73      -8.4936      1.00000
     74      -8.2228      1.00000
     75      -8.1278      1.00000
     76      -8.0915      1.00000
     77      -7.8050      1.00000
     78      -7.7662      1.00000
     79      -7.7384      1.00000
     80      -7.7006      1.00000
     81      -7.6345      1.00000
     82      -7.6233      1.00000
     83      -7.3882      1.00000
     84      -7.3437      1.00000
     85      -7.2241      1.00000
     86      -6.8423      1.00000
     87      -6.8198      1.00000
     88      -6.6365      1.00000
     89      -6.5282      1.00000
     90      -6.3405      1.00000
     91      -6.2711      1.00000
     92      -6.1940      1.00000
     93      -6.1309      1.00000
     94      -6.0186      1.00000
     95      -5.6326      1.00000
     96      -5.5068      1.00000
     97      -5.2966      1.00000
     98      -5.1552      1.00000
     99      -5.0380      1.00000
    100      -4.7238      1.00000
    101      -4.6845      1.00000
    102      -4.3678      1.00000
    103      -4.1829      1.00000
    104      -4.0064      1.00000
    105      -3.8194      1.00000
    106      -3.4841      1.00000
    107      -2.1646      0.00000
    108      -1.3828      0.00000
    109      -1.2356      0.00000
    110      -1.1853      0.00000
    111      -1.0139      0.00000
    112      -0.9557      0.00000
    113      -0.7974      0.00000
    114      -0.7522      0.00000
    115      -0.3680      0.00000
    116       0.2451      0.00000
    117       0.2765      0.00000
    118       0.3637      0.00000
    119       0.7105      0.00000
    120       0.8696      0.00000
    121       0.9659      0.00000
    122       1.1337      0.00000
    123       1.2467      0.00000
    124       1.4614      0.00000
    125       1.5840      0.00000
    126       1.7847      0.00000
    127       1.8471      0.00000
    128       1.8726      0.00000
    129       2.0017      0.00000
    130       2.0401      0.00000
    131       2.1824      0.00000
    132       2.2347      0.00000
    133       2.3991      0.00000
    134       2.4232      0.00000
    135       2.5103      0.00000
    136       2.6601      0.00000
    137       2.6849      0.00000
    138       2.7430      0.00000
    139       2.7814      0.00000
    140       2.8751      0.00000
    141       2.9883      0.00000
    142       3.0923      0.00000
    143       3.1581      0.00000
    144       3.2089      0.00000
    145       3.2643      0.00000
    146       3.2992      0.00000
    147       3.3379      0.00000
    148       3.4948      0.00000
    149       3.5351      0.00000
    150       3.7176      0.00000
    151       3.7389      0.00000
    152       3.7714      0.00000
    153       3.8667      0.00000
    154       3.8797      0.00000
    155       3.9064      0.00000
    156       3.9674      0.00000
    157       4.0086      0.00000
    158       4.0409      0.00000
    159       4.0462      0.00000
    160       4.0929      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3174      1.00000
      2     -21.7591      1.00000
      3     -21.5656      1.00000
      4     -21.5387      1.00000
      5     -21.2027      1.00000
      6     -21.1642      1.00000
      7     -20.9838      1.00000
      8     -20.0964      1.00000
      9     -20.0580      1.00000
     10     -19.5442      1.00000
     11     -19.5242      1.00000
     12     -19.3430      1.00000
     13     -19.0259      1.00000
     14     -18.9863      1.00000
     15     -18.9757      1.00000
     16     -18.9701      1.00000
     17     -18.2941      1.00000
     18     -18.2806      1.00000
     19     -17.9446      1.00000
     20     -16.9984      1.00000
     21     -16.9581      1.00000
     22     -16.8810      1.00000
     23     -16.8682      1.00000
     24     -16.4142      1.00000
     25     -16.3918      1.00000
     26     -15.5389      1.00000
     27     -15.5357      1.00000
     28     -15.1712      1.00000
     29     -15.1697      1.00000
     30     -15.1290      1.00000
     31     -15.0347      1.00000
     32     -14.9994      1.00000
     33     -14.6316      1.00000
     34     -14.6248      1.00000
     35     -13.6610      1.00000
     36     -13.6514      1.00000
     37     -13.1695      1.00000
     38     -12.5711      1.00000
     39     -12.5119      1.00000
     40     -12.3839      1.00000
     41     -12.3834      1.00000
     42     -12.0339      1.00000
     43     -12.0300      1.00000
     44     -11.6529      1.00000
     45     -11.6130      1.00000
     46     -11.2042      1.00000
     47     -11.1557      1.00000
     48     -10.9533      1.00000
     49     -10.9407      1.00000
     50     -10.8586      1.00000
     51     -10.8266      1.00000
     52     -10.6200      1.00000
     53     -10.1439      1.00000
     54     -10.0828      1.00000
     55     -10.0237      1.00000
     56      -9.9431      1.00000
     57      -9.6296      1.00000
     58      -9.6278      1.00000
     59      -9.6013      1.00000
     60      -9.5389      1.00000
     61      -9.5022      1.00000
     62      -9.4779      1.00000
     63      -9.2702      1.00000
     64      -9.2340      1.00000
     65      -9.2054      1.00000
     66      -9.1780      1.00000
     67      -9.0610      1.00000
     68      -9.0456      1.00000
     69      -9.0421      1.00000
     70      -8.8755      1.00000
     71      -8.8071      1.00000
     72      -8.5319      1.00000
     73      -8.5315      1.00000
     74      -8.4951      1.00000
     75      -8.0299      1.00000
     76      -7.8306      1.00000
     77      -7.7968      1.00000
     78      -7.7729      1.00000
     79      -7.7022      1.00000
     80      -7.6832      1.00000
     81      -7.4175      1.00000
     82      -7.2866      1.00000
     83      -7.2506      1.00000
     84      -7.2011      1.00000
     85      -7.0792      1.00000
     86      -7.0778      1.00000
     87      -6.9372      1.00000
     88      -6.7088      1.00000
     89      -6.6725      1.00000
     90      -6.6282      1.00000
     91      -6.5566      1.00000
     92      -6.0702      1.00000
     93      -6.0301      1.00000
     94      -5.9996      1.00000
     95      -5.9368      1.00000
     96      -5.7976      1.00000
     97      -5.1764      1.00000
     98      -4.8915      1.00000
     99      -4.7914      1.00000
    100      -4.6102      1.00000
    101      -4.5118      1.00000
    102      -4.1380      1.00000
    103      -4.0907      1.00000
    104      -3.9308      1.00000
    105      -3.9152      1.00000
    106      -3.8188      1.00000
    107      -1.7516      0.00000
    108      -1.6965      0.00000
    109      -1.4098      0.00000
    110      -1.3712      0.00000
    111      -1.2646      0.00000
    112      -1.2356      0.00000
    113      -0.6253      0.00000
    114      -0.5985      0.00000
    115      -0.1899      0.00000
    116       0.0405      0.00000
    117       0.5929      0.00000
    118       0.7432      0.00000
    119       0.8490      0.00000
    120       0.9296      0.00000
    121       1.1674      0.00000
    122       1.2162      0.00000
    123       1.2501      0.00000
    124       1.4386      0.00000
    125       1.6035      0.00000
    126       1.6521      0.00000
    127       1.7179      0.00000
    128       1.7830      0.00000
    129       1.9183      0.00000
    130       1.9396      0.00000
    131       2.1494      0.00000
    132       2.1881      0.00000
    133       2.2670      0.00000
    134       2.3233      0.00000
    135       2.5615      0.00000
    136       2.5904      0.00000
    137       2.5963      0.00000
    138       2.7673      0.00000
    139       2.7941      0.00000
    140       2.8032      0.00000
    141       2.8940      0.00000
    142       2.9203      0.00000
    143       3.0313      0.00000
    144       3.0534      0.00000
    145       3.1186      0.00000
    146       3.3086      0.00000
    147       3.3244      0.00000
    148       3.3888      0.00000
    149       3.4867      0.00000
    150       3.5852      0.00000
    151       3.6488      0.00000
    152       3.6627      0.00000
    153       3.6839      0.00000
    154       3.9077      0.00000
    155       3.9818      0.00000
    156       4.0211      0.00000
    157       4.0924      0.00000
    158       4.2514      0.00000
    159       4.2640      0.00000
    160       4.2728      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1383      1.00000
      2     -22.0462      1.00000
      3     -21.8840      1.00000
      4     -21.3334      1.00000
      5     -20.9745      1.00000
      6     -20.9454      1.00000
      7     -20.4258      1.00000
      8     -20.3941      1.00000
      9     -20.2142      1.00000
     10     -20.2122      1.00000
     11     -19.8858      1.00000
     12     -19.8222      1.00000
     13     -18.8156      1.00000
     14     -18.7451      1.00000
     15     -18.2639      1.00000
     16     -18.2499      1.00000
     17     -18.0786      1.00000
     18     -18.0719      1.00000
     19     -17.7441      1.00000
     20     -17.7285      1.00000
     21     -17.1933      1.00000
     22     -17.1699      1.00000
     23     -17.0874      1.00000
     24     -17.0663      1.00000
     25     -16.0520      1.00000
     26     -15.8066      1.00000
     27     -15.7971      1.00000
     28     -15.7761      1.00000
     29     -15.1579      1.00000
     30     -14.4838      1.00000
     31     -14.4627      1.00000
     32     -14.2029      1.00000
     33     -13.9148      1.00000
     34     -13.8851      1.00000
     35     -13.7578      1.00000
     36     -13.7373      1.00000
     37     -13.5347      1.00000
     38     -13.5089      1.00000
     39     -13.2994      1.00000
     40     -12.5746      1.00000
     41     -12.0997      1.00000
     42     -12.0756      1.00000
     43     -11.9967      1.00000
     44     -11.9491      1.00000
     45     -11.6041      1.00000
     46     -11.5967      1.00000
     47     -11.0827      1.00000
     48     -11.0597      1.00000
     49     -10.7300      1.00000
     50     -10.6629      1.00000
     51     -10.5528      1.00000
     52     -10.1383      1.00000
     53     -10.1337      1.00000
     54     -10.0993      1.00000
     55      -9.9647      1.00000
     56      -9.9240      1.00000
     57      -9.9201      1.00000
     58      -9.7492      1.00000
     59      -9.7278      1.00000
     60      -9.6961      1.00000
     61      -9.6935      1.00000
     62      -9.3979      1.00000
     63      -9.3876      1.00000
     64      -9.0660      1.00000
     65      -8.9804      1.00000
     66      -8.9802      1.00000
     67      -8.9043      1.00000
     68      -8.8107      1.00000
     69      -8.6481      1.00000
     70      -8.6325      1.00000
     71      -8.5441      1.00000
     72      -8.5001      1.00000
     73      -8.4813      1.00000
     74      -8.3930      1.00000
     75      -8.3814      1.00000
     76      -8.2076      1.00000
     77      -8.0993      1.00000
     78      -8.0054      1.00000
     79      -7.8997      1.00000
     80      -7.8416      1.00000
     81      -7.6202      1.00000
     82      -7.5322      1.00000
     83      -7.4554      1.00000
     84      -7.2608      1.00000
     85      -6.9415      1.00000
     86      -6.8681      1.00000
     87      -6.8093      1.00000
     88      -6.4768      1.00000
     89      -6.4673      1.00000
     90      -6.4085      1.00000
     91      -6.3585      1.00000
     92      -6.1833      1.00000
     93      -5.8569      1.00000
     94      -5.7368      1.00000
     95      -5.7102      1.00000
     96      -5.5200      1.00000
     97      -5.3278      1.00000
     98      -5.1714      1.00000
     99      -5.1667      1.00000
    100      -5.1331      1.00000
    101      -4.6948      1.00000
    102      -4.3488      1.00000
    103      -4.2767      1.00000
    104      -4.0258      1.00000
    105      -3.8208      1.00000
    106      -3.2329      1.00000
    107      -2.4057      0.00000
    108      -1.3446      0.00000
    109      -1.2436      0.00000
    110      -1.1538      0.00000
    111      -1.1083      0.00000
    112      -0.5837      0.00000
    113      -0.5217      0.00000
    114      -0.4339      0.00000
    115      -0.2747      0.00000
    116      -0.0722      0.00000
    117      -0.0118      0.00000
    118       0.0598      0.00000
    119       0.5840      0.00000
    120       0.7103      0.00000
    121       0.8192      0.00000
    122       0.9531      0.00000
    123       1.1937      0.00000
    124       1.5302      0.00000
    125       1.6308      0.00000
    126       1.8837      0.00000
    127       2.0229      0.00000
    128       2.0603      0.00000
    129       2.0925      0.00000
    130       2.1374      0.00000
    131       2.2275      0.00000
    132       2.2868      0.00000
    133       2.3386      0.00000
    134       2.4304      0.00000
    135       2.6105      0.00000
    136       2.7142      0.00000
    137       2.8474      0.00000
    138       2.9146      0.00000
    139       2.9447      0.00000
    140       3.0214      0.00000
    141       3.0579      0.00000
    142       3.1297      0.00000
    143       3.1750      0.00000
    144       3.2277      0.00000
    145       3.3088      0.00000
    146       3.3225      0.00000
    147       3.3616      0.00000
    148       3.3806      0.00000
    149       3.4352      0.00000
    150       3.4572      0.00000
    151       3.5653      0.00000
    152       3.6112      0.00000
    153       3.6584      0.00000
    154       3.7023      0.00000
    155       3.8697      0.00000
    156       3.9117      0.00000
    157       3.9459      0.00000
    158       3.9676      0.00000
    159       4.1782      0.00000
    160       4.2056      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2112      1.00000
      2     -22.0063      1.00000
      3     -21.6442      1.00000
      4     -21.6133      1.00000
      5     -20.9077      1.00000
      6     -20.8674      1.00000
      7     -20.5371      1.00000
      8     -20.5049      1.00000
      9     -20.4982      1.00000
     10     -19.9606      1.00000
     11     -19.4390      1.00000
     12     -19.4171      1.00000
     13     -19.2383      1.00000
     14     -19.2311      1.00000
     15     -18.3743      1.00000
     16     -18.3396      1.00000
     17     -17.8572      1.00000
     18     -17.8412      1.00000
     19     -17.6896      1.00000
     20     -17.6540      1.00000
     21     -17.3708      1.00000
     22     -17.3566      1.00000
     23     -17.2660      1.00000
     24     -16.4117      1.00000
     25     -16.3885      1.00000
     26     -15.9030      1.00000
     27     -15.3418      1.00000
     28     -15.3370      1.00000
     29     -15.0294      1.00000
     30     -15.0199      1.00000
     31     -14.7751      1.00000
     32     -14.7730      1.00000
     33     -14.2360      1.00000
     34     -14.1857      1.00000
     35     -13.3861      1.00000
     36     -13.3322      1.00000
     37     -13.1096      1.00000
     38     -13.1017      1.00000
     39     -12.9160      1.00000
     40     -12.9104      1.00000
     41     -12.5440      1.00000
     42     -12.5365      1.00000
     43     -12.1322      1.00000
     44     -11.5118      1.00000
     45     -11.4679      1.00000
     46     -11.2429      1.00000
     47     -11.2117      1.00000
     48     -11.0849      1.00000
     49     -10.7012      1.00000
     50     -10.5941      1.00000
     51     -10.5061      1.00000
     52     -10.2502      1.00000
     53     -10.2461      1.00000
     54     -10.1194      1.00000
     55     -10.0527      1.00000
     56     -10.0380      1.00000
     57      -9.7825      1.00000
     58      -9.6857      1.00000
     59      -9.6722      1.00000
     60      -9.6365      1.00000
     61      -9.6269      1.00000
     62      -9.5846      1.00000
     63      -9.2941      1.00000
     64      -9.2823      1.00000
     65      -9.2515      1.00000
     66      -9.0603      1.00000
     67      -8.8936      1.00000
     68      -8.8826      1.00000
     69      -8.7174      1.00000
     70      -8.5775      1.00000
     71      -8.5247      1.00000
     72      -8.3489      1.00000
     73      -8.3035      1.00000
     74      -8.2422      1.00000
     75      -8.2366      1.00000
     76      -8.1933      1.00000
     77      -8.1808      1.00000
     78      -8.1684      1.00000
     79      -8.1032      1.00000
     80      -7.6878      1.00000
     81      -7.4223      1.00000
     82      -7.3422      1.00000
     83      -7.2588      1.00000
     84      -7.1678      1.00000
     85      -7.1088      1.00000
     86      -7.0050      1.00000
     87      -6.9026      1.00000
     88      -6.8481      1.00000
     89      -6.5409      1.00000
     90      -6.4977      1.00000
     91      -6.2060      1.00000
     92      -6.2006      1.00000
     93      -5.8936      1.00000
     94      -5.6714      1.00000
     95      -5.6049      1.00000
     96      -5.5791      1.00000
     97      -5.2525      1.00000
     98      -5.2301      1.00000
     99      -5.1640      1.00000
    100      -5.1338      1.00000
    101      -4.5985      1.00000
    102      -4.2472      1.00000
    103      -4.0422      1.00000
    104      -3.8839      1.00000
    105      -3.8359      1.00000
    106      -3.7983      1.00000
    107      -1.8079      0.00000
    108      -1.7813      0.00000
    109      -1.2246      0.00000
    110      -1.1753      0.00000
    111      -0.9741      0.00000
    112      -0.7345      0.00000
    113      -0.6502      0.00000
    114      -0.5940      0.00000
    115      -0.5495      0.00000
    116      -0.1557      0.00000
    117       0.1759      0.00000
    118       0.2880      0.00000
    119       0.7158      0.00000
    120       0.9582      0.00000
    121       1.1711      0.00000
    122       1.2776      0.00000
    123       1.3556      0.00000
    124       1.5252      0.00000
    125       1.6173      0.00000
    126       1.6376      0.00000
    127       1.6957      0.00000
    128       1.7818      0.00000
    129       1.8755      0.00000
    130       2.0411      0.00000
    131       2.1670      0.00000
    132       2.2856      0.00000
    133       2.4210      0.00000
    134       2.4217      0.00000
    135       2.5758      0.00000
    136       2.6399      0.00000
    137       2.6957      0.00000
    138       2.7010      0.00000
    139       2.7745      0.00000
    140       2.9149      0.00000
    141       3.0601      0.00000
    142       3.0740      0.00000
    143       3.2028      0.00000
    144       3.2910      0.00000
    145       3.4050      0.00000
    146       3.4222      0.00000
    147       3.4658      0.00000
    148       3.5508      0.00000
    149       3.5888      0.00000
    150       3.6413      0.00000
    151       3.6745      0.00000
    152       3.7014      0.00000
    153       3.7561      0.00000
    154       3.7601      0.00000
    155       3.8416      0.00000
    156       3.9139      0.00000
    157       3.9160      0.00000
    158       3.9815      0.00000
    159       4.2024      0.00000
    160       4.2393      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0405   -7.2587    3.9831   -1.1311   -0.1847   17.3742    0.4907   -0.8149    0.7704   -0.4758
x    -3.1261   -0.0251   -0.0204   -0.0266    0.0912   -3.0543    0.0306   -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   204.0405    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   -0.0314    0.0614    0.0188
y     0.0231   -3.2424   -0.1788    0.1691   -2.4166   -0.6651
z   204.0405    1.7461    0.2919    0.0885    0.0006    0.0706   -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    0.0985    0.0006   -0.0010   -0.0001   -0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0012   -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  -16.5852
z     0.1472    0.2353   -0.0299    0.0569   -0.0952    0.0006
 total charge-density along one line
x   212.0000  -10.0897    5.9298   -1.9400   -0.4203   19.2929   -0.6589    0.2077    0.0650   -0.1048
x    -2.7066   -0.0087    0.0021   -0.0458    0.0974   -2.3458    0.0480   -0.0343    0.0116    0.0024
x    -0.0853   -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  -10.0897    5.9298   -1.9400   -0.4203   19.2929   -0.6590    0.2077    0.0650   -0.1048
y    -2.7066   -0.0087    0.0021   -0.0458    0.0974   -2.3458    0.0480   -0.0343    0.0116    0.0024
y    -0.0853   -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 -205.3207  188.9010 -170.1654  154.0136 -140.2691  126.3364 -110.8551   94.5892  -78.9294
z    64.5782  -51.6642   40.4397  -31.3775   24.6364  -19.7089   15.7349  -12.1264    8.8506   -6.1766
z     4.2479   -2.9213    1.9353   -1.1387    0.5341   -0.1509   -0.0630    0.2156   -0.3705    0.5035
z    -0.5567    0.5168   -0.4330    0.3655   -0.3342    0.3163   -0.2846    0.2368   -0.1898    0.1566
z    -0.1346    0.1144   -0.0919    0.0713   -0.0575    0.0499   -0.0440    0.0369   -0.0295    0.0239
z    -0.0208    0.0186   -0.0159    0.0129   -0.0103    0.0084   -0.0068    0.0053   -0.0038    0.0028
z    -0.0020    0.0012   -0.0004   -0.0002    0.0004   -0.0004    0.0004   -0.0006    0.0007   -0.0006
z     0.0004   -0.0002    0.0001    0.0000    0.0000    0.0001   -0.0002    0.0003   -0.0003    0.0003
z    -0.0002    0.0002   -0.0002    0.0001   -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0000   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.938   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   0.293   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  -0.035   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   0.064   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  -0.035   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  -0.018  -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  -0.035   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   0.043   0.000   0.012  -0.004
  0.000   0.000   0.097   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  -0.018   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  -0.036   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   0.275   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   2.646
 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   2.628
 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        0.864   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   2.628
 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   2.646
 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   2.646
 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       44.831  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  113.50: CPU time   57.31
    FORLOC:  VPU time    1.25: CPU time    1.24
    FORNL :  VPU time  442.37: CPU time  221.56
    STRESS:  VPU time 1336.01: CPU time  672.25
    FORCOR:  VPU time    8.24: CPU time    8.24
    FORHAR:  VPU time    2.28: CPU time    2.29
    MIXING:  VPU time    0.16: CPU time    0.16
 d Force = 0.1656918E-04[ 0.849E-05, 0.247E-04]  d Energy = 0.1200434E-04 0.456E-05
 d Force = 0.5679638E+00[ 0.568E+00, 0.568E+00]  d Ewald  = 0.4786248E+01-0.422E+01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.645171 eV

  energy  without entropy=     -471.645171  energy(sigma->0) =     -471.645171
 

  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    40709.75  40726.04 -47409.34     14.11      0.00      0.00
  Hartree  40175.85  40179.10 -39428.71      2.82      0.00      0.00
  E(xc)     -779.72   -779.52   -807.25      0.17      0.00      0.00
  Local   -83178.83 -83192.15  84155.42    -11.54      0.00      0.00
  n-local   -215.77   -215.68   -203.84     -0.18      0.00      0.00
  augment     22.10     20.52     17.37     -1.37      0.00      0.00
  Kinetic   3168.51   3171.16   3581.99     -6.16      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.40     -0.38     -0.44      0.02      0.00      0.00
  in kB       -0.24     -0.23     -0.27      0.01      0.00      0.00
  external pressure =       -0.25 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.348144209  0.001535230  0.000000000     0.080978018  0.046739326  0.000000000
    -6.172749200 10.694570013  0.000000000    -0.000011625  0.093498686  0.000000000
     0.000000000  0.000000000 19.975091734     0.000000000  0.000000000  0.050062348

  length of vectors
    12.348144305 12.348144008 19.975091734     0.093498685  0.093498687  0.050062348


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.373E-05 -.459E-04 -.959E+03   0.428E-05 -.273E-04 0.967E+03   0.146E-23 0.146E-23 -.795E+01   -.797E-07 0.450E-07 -.531E-02
   -.176E+02 -.305E+02 -.136E+03   0.184E+02 0.319E+02 0.138E+03   -.832E+00 -.144E+01 -.259E+01   0.691E-04 0.119E-03 -.121E-02
   0.176E+02 0.305E+02 -.136E+03   -.184E+02 -.319E+02 0.138E+03   0.832E+00 0.144E+01 -.259E+01   -.692E-04 -.119E-03 -.121E-02
   -.196E+01 0.113E+01 0.181E+02   0.197E+01 -.114E+01 -.181E+02   -.881E-02 0.509E-02 -.122E-02   -.195E-03 0.109E-03 0.234E-02
   0.578E+01 0.685E+01 0.207E+02   -.578E+01 -.688E+01 -.206E+02   0.604E-02 0.332E-01 -.157E-01   -.406E-03 0.217E-03 0.177E-02
   0.112E+02 0.504E+01 0.185E+02   -.112E+02 -.505E+01 -.185E+02   0.251E-01 0.872E-02 -.528E-01   -.627E-03 -.639E-04 0.464E-03
   0.451E+01 -.100E+01 0.164E+02   -.453E+01 0.102E+01 -.164E+02   0.191E-01 -.175E-01 -.898E-03   0.719E-03 0.732E-03 0.693E-03
   -.292E+01 -.240E+01 0.153E+02   0.293E+01 0.241E+01 -.153E+02   -.143E-01 -.146E-01 0.148E-02   0.418E-03 -.773E-03 0.714E-03
   0.616E+00 0.372E+01 0.153E+02   -.623E+00 -.374E+01 -.153E+02   0.547E-02 0.197E-01 0.148E-02   0.874E-03 0.186E-04 0.710E-03
   0.272E+01 0.181E+02 0.248E+02   -.273E+01 -.182E+02 -.248E+02   0.100E-01 0.109E+00 -.898E-02   -.354E-03 -.391E-03 0.988E-03
   0.214E+02 0.225E+02 0.393E+02   -.215E+02 -.227E+02 -.392E+02   0.118E+00 0.228E+00 -.197E-01   -.580E-03 -.114E-02 0.118E-02
   0.264E+02 -.447E+01 0.264E+02   -.267E+02 0.459E+01 -.264E+02   0.236E+00 -.118E+00 -.594E-01   -.144E-02 0.546E-03 0.909E-03
   0.915E+01 -.528E+01 0.155E+02   -.917E+01 0.530E+01 -.155E+02   0.156E-01 -.898E-02 0.602E-02   0.377E-03 -.224E-03 0.640E-03
   0.312E+01 -.341E+01 0.164E+02   -.315E+01 0.342E+01 -.164E+02   0.247E-01 -.774E-02 -.898E-03   -.277E-03 -.993E-03 0.685E-03
   -.604E+01 0.131E+02 0.199E+02   0.605E+01 -.132E+02 -.198E+02   -.473E-02 0.751E-01 -.118E-01   0.520E-03 0.324E-04 0.590E-03
   -.122E+02 0.333E+02 0.453E+02   0.123E+02 -.340E+02 -.457E+02   -.921E-01 0.675E+00 0.347E+00   0.277E-03 -.128E-02 -.157E-03
   0.263E+02 -.152E+02 0.685E+02   -.272E+02 0.157E+02 -.706E+02   0.961E+00 -.555E+00 0.208E+01   -.695E-03 0.398E-03 -.421E-02
   0.171E+02 -.207E+02 0.264E+02   -.173E+02 0.208E+02 -.264E+02   0.220E+00 -.145E+00 -.594E-01   -.120E-02 0.968E-03 0.904E-03
   0.124E+01 -.122E+02 0.185E+02   -.124E+01 0.123E+02 -.185E+02   0.498E-02 -.261E-01 -.528E-01   -.255E-03 0.574E-03 0.458E-03
   -.387E+01 0.154E+01 0.145E+02   0.388E+01 -.154E+01 -.144E+02   -.683E-02 0.371E-02 -.419E-01   0.110E-03 -.100E-02 0.403E-03
   -.182E+02 0.105E+02 0.206E+02   0.182E+02 -.105E+02 -.205E+02   -.638E-01 0.369E-01 -.128E+00   0.369E-03 -.210E-03 0.115E-02
   -.350E+02 -.609E+01 0.453E+02   0.356E+02 0.635E+01 -.457E+02   -.631E+00 -.258E+00 0.347E+00   0.125E-02 0.401E-03 -.153E-03
   -.882E+01 -.298E+02 0.393E+02   0.895E+01 0.300E+02 -.392E+02   -.138E+00 -.216E+00 -.197E-01   0.702E-03 0.107E-02 0.117E-02
   -.304E+01 -.843E+01 0.207E+02   0.307E+01 0.845E+01 -.206E+02   -.258E-01 -.219E-01 -.157E-01   -.390E-03 0.241E-03 0.177E-02
   0.127E+01 -.732E+00 0.152E+02   -.127E+01 0.732E+00 -.152E+02   -.190E-02 0.110E-02 -.343E-01   -.147E-03 0.870E-04 0.162E-02
   -.327E+01 0.258E+01 0.145E+02   0.327E+01 -.259E+01 -.144E+02   -.663E-02 0.406E-02 -.419E-01   0.927E-03 0.412E-03 0.407E-03
   -.144E+02 -.134E+01 0.199E+02   0.145E+02 0.137E+01 -.198E+02   -.674E-01 -.334E-01 -.118E-01   0.234E-03 -.468E-03 0.598E-03
   -.143E+02 -.114E+02 0.248E+02   0.144E+02 0.115E+02 -.248E+02   -.894E-01 -.632E-01 -.898E-02   0.164E-03 0.497E-03 0.991E-03
   0.304E+01 0.843E+01 0.207E+02   -.307E+01 -.845E+01 -.206E+02   0.258E-01 0.219E-01 -.157E-01   0.390E-03 -.241E-03 0.177E-02
   0.143E+02 0.114E+02 0.248E+02   -.144E+02 -.115E+02 -.248E+02   0.894E-01 0.632E-01 -.898E-02   -.164E-03 -.497E-03 0.991E-03
   0.144E+02 0.134E+01 0.199E+02   -.145E+02 -.137E+01 -.198E+02   0.674E-01 0.334E-01 -.118E-01   -.234E-03 0.468E-03 0.598E-03
   0.327E+01 -.258E+01 0.145E+02   -.327E+01 0.259E+01 -.144E+02   0.663E-02 -.406E-02 -.419E-01   -.927E-03 -.412E-03 0.407E-03
   -.127E+01 0.732E+00 0.152E+02   0.127E+01 -.731E+00 -.152E+02   0.190E-02 -.110E-02 -.343E-01   0.147E-03 -.870E-04 0.162E-02
   -.124E+01 0.122E+02 0.185E+02   0.124E+01 -.123E+02 -.185E+02   -.498E-02 0.261E-01 -.528E-01   0.255E-03 -.574E-03 0.458E-03
   0.882E+01 0.298E+02 0.393E+02   -.895E+01 -.300E+02 -.392E+02   0.138E+00 0.216E+00 -.197E-01   -.702E-03 -.107E-02 0.117E-02
   0.350E+02 0.609E+01 0.453E+02   -.356E+02 -.635E+01 -.457E+02   0.631E+00 0.258E+00 0.347E+00   -.125E-02 -.401E-03 -.153E-03
   0.182E+02 -.105E+02 0.206E+02   -.182E+02 0.105E+02 -.205E+02   0.638E-01 -.369E-01 -.128E+00   -.369E-03 0.210E-03 0.115E-02
   0.387E+01 -.154E+01 0.145E+02   -.388E+01 0.154E+01 -.144E+02   0.683E-02 -.371E-02 -.419E-01   -.110E-03 0.100E-02 0.403E-03
   -.312E+01 0.341E+01 0.164E+02   0.315E+01 -.342E+01 -.164E+02   -.247E-01 0.774E-02 -.898E-03   0.277E-03 0.993E-03 0.685E-03
   -.171E+02 0.207E+02 0.264E+02   0.173E+02 -.208E+02 -.264E+02   -.220E+00 0.145E+00 -.594E-01   0.120E-02 -.968E-03 0.904E-03
   -.263E+02 0.152E+02 0.685E+02   0.272E+02 -.157E+02 -.706E+02   -.961E+00 0.555E+00 0.208E+01   0.695E-03 -.398E-03 -.421E-02
   0.122E+02 -.333E+02 0.453E+02   -.123E+02 0.340E+02 -.457E+02   0.921E-01 -.675E+00 0.347E+00   -.277E-03 0.128E-02 -.157E-03
   0.604E+01 -.131E+02 0.199E+02   -.605E+01 0.132E+02 -.198E+02   0.473E-02 -.751E-01 -.118E-01   -.520E-03 -.324E-04 0.590E-03
   -.616E+00 -.372E+01 0.153E+02   0.623E+00 0.374E+01 -.153E+02   -.547E-02 -.197E-01 0.148E-02   -.874E-03 -.186E-04 0.710E-03
   -.915E+01 0.528E+01 0.155E+02   0.917E+01 -.530E+01 -.155E+02   -.156E-01 0.898E-02 0.602E-02   -.377E-03 0.224E-03 0.640E-03
   -.264E+02 0.447E+01 0.264E+02   0.267E+02 -.459E+01 -.264E+02   -.236E+00 0.118E+00 -.594E-01   0.144E-02 -.546E-03 0.909E-03
   -.214E+02 -.225E+02 0.393E+02   0.215E+02 0.227E+02 -.392E+02   -.118E+00 -.228E+00 -.197E-01   0.580E-03 0.114E-02 0.118E-02
   -.272E+01 -.181E+02 0.248E+02   0.273E+01 0.182E+02 -.248E+02   -.100E-01 -.109E+00 -.898E-02   0.354E-03 0.391E-03 0.988E-03
   0.196E+01 -.113E+01 0.181E+02   -.197E+01 0.114E+01 -.181E+02   0.881E-02 -.509E-02 -.122E-02   0.195E-03 -.109E-03 0.234E-02
   0.292E+01 0.240E+01 0.153E+02   -.293E+01 -.241E+01 -.153E+02   0.143E-01 0.146E-01 0.148E-02   -.418E-03 0.773E-03 0.714E-03
   -.451E+01 0.100E+01 0.164E+02   0.453E+01 -.102E+01 -.164E+02   -.191E-01 0.175E-01 -.898E-03   -.719E-03 -.732E-03 0.693E-03
   -.112E+02 -.504E+01 0.185E+02   0.112E+02 0.505E+01 -.185E+02   -.251E-01 -.872E-02 -.528E-01   0.627E-03 0.639E-04 0.464E-03
   -.578E+01 -.685E+01 0.207E+02   0.578E+01 0.688E+01 -.206E+02   -.604E-02 -.332E-01 -.157E-01   0.406E-03 -.217E-03 0.177E-02
 -----------------------------------------------------------------------------------------------
   -.183E-02 0.313E-03 0.869E+01   -.639E-13 -.870E-13 0.995E-13   0.312E-16 -.625E-16 -.872E+01   -.113E-06 0.644E-07 0.255E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85297      6.06092     12.32548         0.000000      0.000000     -0.036881
      2.26194      6.76928     13.64180         0.005785      0.010019      0.014180
      1.44400      5.35256     13.64180        -0.005785     -0.010019      0.014180
      0.00054     -0.00031      9.93450         0.000380     -0.000219     -0.000147
     11.11283      2.13931      9.93693        -0.000713      0.000749      0.000484
      9.87725      4.27893      9.95195         0.000832     -0.001444      0.000770
      8.64381      6.41832      9.95194        -0.001049     -0.001326      0.001092
     -4.93661      8.55572      9.94580         0.000202      0.000535     -0.000789
      2.47037     -0.00110      9.94580        -0.000363     -0.000442     -0.000789
      1.23477      2.13623      9.95141         0.001080     -0.002468     -0.001202
     -0.00397      4.27501      9.98279         0.001642      0.001506     -0.001898
     -1.23849      6.41615      9.98923         0.001352      0.000797     -0.001193
     -2.46726      8.55521      9.96018        -0.004394      0.002537      0.000697
      4.93888      0.00118      9.95194         0.000623      0.001572      0.001092
      3.70501      2.13658      9.96056         0.002252      0.000665     -0.000766
      2.47081      4.26333     10.02744        -0.000980     -0.001002      0.003371
      1.22852      6.42145     10.09974        -0.001144      0.000661      0.007736
     -0.00040      8.56059      9.98923        -0.000014     -0.001569     -0.001193
      7.40836      0.00269      9.95195         0.001666      0.000001      0.000770
      6.17375      2.14003      9.95246        -0.000250      0.003020     -0.000084
      4.94057      4.27830      9.98312        -0.000909      0.000525     -0.000604
      3.71865      6.42466     10.02744         0.000378      0.001350      0.003371
      2.47115      8.56204      9.98279        -0.000483     -0.002174     -0.001898
      9.87912      0.00246      9.93693        -0.001005      0.000243      0.000484
      8.64318      2.14060      9.94106        -0.000593      0.000342     -0.002995
      7.40895      4.27947      9.95246        -0.002740     -0.001294     -0.000084
      6.17757      6.41918      9.96056         0.000550     -0.002283     -0.000766
      4.94275      8.55865      9.95141         0.002677      0.000298     -0.001202
     -0.00043      1.42481      9.93693         0.001005     -0.000243      0.000484
     -1.23681      3.56319      9.95141        -0.002677     -0.000298     -0.001202
     -2.47163      5.70266      9.96056        -0.000550      0.002283     -0.000766
     -3.70301      7.84237      9.95246         0.002740      0.001294     -0.000084
     -4.93723      9.98124      9.94106         0.000593     -0.000342     -0.002995
      2.47033      1.42458      9.95195        -0.001666     -0.000001      0.000770
      1.23480      3.55980      9.98279         0.000483      0.002174     -0.001898
     -0.01271      5.69719     10.02744        -0.000378     -0.001350      0.003371
     -1.23463      7.84355      9.98312         0.000909     -0.000525     -0.000604
     -2.46780      9.98182      9.95246         0.000250     -0.003020     -0.000084
      4.93981      1.42609      9.95194        -0.000623     -0.001572      0.001092
      3.70634      3.56125      9.98923         0.000014      0.001569     -0.001193
      2.47742      5.70039     10.09974         0.001144     -0.000661      0.007736
      1.23513      7.85851     10.02744         0.000980      0.001002      0.003371
      0.00093      9.98527      9.96056        -0.002252     -0.000665     -0.000766
      7.40832      1.42837      9.94580         0.000363      0.000442     -0.000789
      6.17321      3.56664      9.96018         0.004394     -0.002537      0.000697
      4.94443      5.70569      9.98923        -0.001352     -0.000797     -0.001193
      3.70991      7.84684      9.98279        -0.001642     -0.001506     -0.001898
      2.47117      9.98562      9.95141        -0.001080      0.002468     -0.001202
      9.87815      1.42759      9.93450        -0.000380      0.000219     -0.000147
      8.64255      3.56612      9.94580        -0.000202     -0.000535     -0.000789
      7.41027      5.70506      9.95194         0.001049      0.001326      0.001092
      6.17684      7.84445      9.95195        -0.000832      0.001444      0.000770
      4.94125      9.98407      9.93693         0.000713     -0.000749      0.000484
 -----------------------------------------------------------------------------------
    total drift:                               -0.001830      0.000313     -0.004051


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


 Conjugate gradient step on ions:
 trial-energy change:   -0.000012  1 .order   -0.000017   -0.000023   -0.000011
  (g-gl).g = 0.130E-03      g.g   = 0.111E-03  gl.gl    = 0.116E-03
 g(Force)  = 0.110E-03   g(Stress)= 0.166E-05 ortho     =-0.175E-04
 gamma     =   1.12216
 trial     =   0.25221
 opt step  =   0.47404  (harmonic =   0.47404) maximal distance =0.00085901
 next E    =  -471.645181   (d E  =  -0.00002)


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


    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  189.47: CPU time   96.70
     LOOP+:  VPU time 5418.64: CPU time 2789.41


----------------------------------------- Iteration   24(   1)  ---------------------------------------


    POTLOK:  VPU time    9.20: CPU time    9.12
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1730.70: CPU time  895.83
 BZINTS: Fermi energy: -3.148284;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  113.56: CPU time   57.35
    MIXING:  VPU time    0.14: CPU time    0.14
    ------------------------------------------
      LOOP:  VPU time 1854.00: CPU time  962.81

 eigenvalue-minimisations  :  5664
 total energy-change (2. order) :-0.4716452E+03  (-0.1611861E-03)
 number of electron  212.0000065 magnetization    0.0000000
 augmentation part     7.9592539 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.12423E-02    rms(broyden)= 0.12420E-02
  rms(prec ) = 0.14069E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34022.25535579
  -1/2 Hartree   DENC   =    -40922.89287404
  -V(xc)+E(xc)   XCENC  =       726.57505433
  PAW double counting   =      4092.16169623    -4130.53171080
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2464.65255152
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64517641 eV

  energy without entropy =     -471.64517641  energy(sigma->0) =     -471.64517641


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




----------------------------------------- Iteration   24(   2)  ---------------------------------------


    POTLOK:  VPU time    9.01: CPU time    9.01
    SETDIJ:  VPU time    0.33: CPU time    0.34
    EDDAV :  VPU time 1423.02: CPU time  737.76
 BZINTS: Fermi energy: -3.148402;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1432.42: CPU time  747.13

 eigenvalue-minimisations  :  4240
 total energy-change (2. order) : 0.6397031E-05  (-0.2962299E-05)
 number of electron  212.0000065 magnetization    0.0000000
 augmentation part     7.9592539 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34022.25535579
  -1/2 Hartree   DENC   =    -40922.71841965
  -V(xc)+E(xc)   XCENC  =       726.57038630
  PAW double counting   =      4092.00745841    -4130.37683077
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2464.82297369
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64517001 eV

  energy without entropy =     -471.64517001  energy(sigma->0) =     -471.64517001


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




 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 -58.5312       2 -39.9769       3 -39.9769       4 -58.2443       5 -58.2488
       6 -58.2559       7 -58.2467       8 -58.2448       9 -58.2448      10 -58.2608
      11 -58.3156      12 -58.2921      13 -58.2499      14 -58.2467      15 -58.2575
      16 -58.4369      17 -58.7292      18 -58.2921      19 -58.2559      20 -58.2502
      21 -58.2771      22 -58.4369      23 -58.3156      24 -58.2488      25 -58.2439
      26 -58.2502      27 -58.2575      28 -58.2609      29 -58.2487      30 -58.2607
      31 -58.2574      32 -58.2501      33 -58.2438      34 -58.2558      35 -58.3155
      36 -58.4369      37 -58.2770      38 -58.2501      39 -58.2466      40 -58.2920
      41 -58.7291      42 -58.4369      43 -58.2574      44 -58.2447      45 -58.2498
      46 -58.2920      47 -58.3155      48 -58.2608      49 -58.2442      50 -58.2447
      51 -58.2466      52 -58.2558      53 -58.2487
 
 
 
 E-fermi :  -3.1484     XC(G=0):  -2.3394     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3536      1.00000
      2     -21.5329      1.00000
      3     -21.4045      1.00000
      4     -21.4038      1.00000
      5     -21.3724      1.00000
      6     -21.3635      1.00000
      7     -21.3560      1.00000
      8     -19.6429      1.00000
      9     -19.5697      1.00000
     10     -19.5627      1.00000
     11     -19.5564      1.00000
     12     -19.5382      1.00000
     13     -19.5355      1.00000
     14     -18.7254      1.00000
     15     -18.6774      1.00000
     16     -18.6698      1.00000
     17     -18.6564      1.00000
     18     -18.6413      1.00000
     19     -18.6397      1.00000
     20     -16.5836      1.00000
     21     -16.5247      1.00000
     22     -16.5223      1.00000
     23     -16.5097      1.00000
     24     -16.4853      1.00000
     25     -16.4835      1.00000
     26     -15.5561      1.00000
     27     -15.5241      1.00000
     28     -15.5234      1.00000
     29     -15.4975      1.00000
     30     -15.4925      1.00000
     31     -15.4871      1.00000
     32     -14.2040      1.00000
     33     -14.1782      1.00000
     34     -14.1656      1.00000
     35     -14.1633      1.00000
     36     -14.1580      1.00000
     37     -14.1470      1.00000
     38     -11.8809      1.00000
     39     -11.8067      1.00000
     40     -11.7906      1.00000
     41     -11.7905      1.00000
     42     -11.7872      1.00000
     43     -11.7815      1.00000
     44     -11.7026      1.00000
     45     -11.6965      1.00000
     46     -11.6706      1.00000
     47     -11.6560      1.00000
     48     -11.6558      1.00000
     49     -11.6488      1.00000
     50     -10.6679      1.00000
     51     -10.3270      1.00000
     52     -10.3190      1.00000
     53     -10.3036      1.00000
     54     -10.3022      1.00000
     55     -10.2893      1.00000
     56     -10.2763      1.00000
     57      -9.9211      1.00000
     58      -9.3704      1.00000
     59      -9.3576      1.00000
     60      -9.2985      1.00000
     61      -9.2905      1.00000
     62      -9.2836      1.00000
     63      -9.0899      1.00000
     64      -9.0528      1.00000
     65      -9.0478      1.00000
     66      -9.0250      1.00000
     67      -9.0056      1.00000
     68      -9.0004      1.00000
     69      -8.9992      1.00000
     70      -8.9934      1.00000
     71      -8.9907      1.00000
     72      -8.9712      1.00000
     73      -8.9634      1.00000
     74      -8.9533      1.00000
     75      -8.4873      1.00000
     76      -7.5158      1.00000
     77      -7.4093      1.00000
     78      -7.4091      1.00000
     79      -7.3956      1.00000
     80      -7.3823      1.00000
     81      -7.3631      1.00000
     82      -7.3401      1.00000
     83      -7.3104      1.00000
     84      -7.2653      1.00000
     85      -7.2049      1.00000
     86      -7.1787      1.00000
     87      -7.1786      1.00000
     88      -7.0795      1.00000
     89      -6.5051      1.00000
     90      -6.4591      1.00000
     91      -6.3532      1.00000
     92      -6.2929      1.00000
     93      -6.2869      1.00000
     94      -6.2856      1.00000
     95      -5.8962      1.00000
     96      -5.8841      1.00000
     97      -5.0394      1.00000
     98      -4.9344      1.00000
     99      -4.5349      1.00000
    100      -4.3402      1.00000
    101      -4.3176      1.00000
    102      -4.3164      1.00000
    103      -4.1167      1.00000
    104      -3.9116      1.00000
    105      -3.9012      1.00000
    106      -3.8243      1.00000
    107      -1.6813      0.00000
    108      -1.6680      0.00000
    109      -1.5367      0.00000
    110      -1.5348      0.00000
    111      -1.5237      0.00000
    112      -1.5093      0.00000
    113      -0.5887      0.00000
    114       0.1331      0.00000
    115       0.2065      0.00000
    116       0.3245      0.00000
    117       0.3261      0.00000
    118       0.3336      0.00000
    119       0.4934      0.00000
    120       0.6092      0.00000
    121       1.2614      0.00000
    122       1.2895      0.00000
    123       1.5419      0.00000
    124       1.7558      0.00000
    125       1.8166      0.00000
    126       1.8204      0.00000
    127       1.8258      0.00000
    128       1.9468      0.00000
    129       1.9926      0.00000
    130       2.0308      0.00000
    131       2.0448      0.00000
    132       2.0499      0.00000
    133       2.0570      0.00000
    134       2.0658      0.00000
    135       2.3180      0.00000
    136       2.3284      0.00000
    137       2.6481      0.00000
    138       2.6571      0.00000
    139       2.6883      0.00000
    140       2.7358      0.00000
    141       2.8876      0.00000
    142       2.9958      0.00000
    143       3.0168      0.00000
    144       3.0359      0.00000
    145       3.0370      0.00000
    146       3.0406      0.00000
    147       3.0918      0.00000
    148       3.2501      0.00000
    149       3.4391      0.00000
    150       3.5593      0.00000
    151       3.7820      0.00000
    152       3.9499      0.00000
    153       3.9606      0.00000
    154       3.9671      0.00000
    155       3.9672      0.00000
    156       4.0111      0.00000
    157       4.1883      0.00000
    158       4.2700      0.00000
    159       4.2937      0.00000
    160       4.2950      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3169      1.00000
      2     -21.7584      1.00000
      3     -21.5678      1.00000
      4     -21.5354      1.00000
      5     -21.2050      1.00000
      6     -21.1605      1.00000
      7     -20.9847      1.00000
      8     -20.0990      1.00000
      9     -20.0553      1.00000
     10     -19.5437      1.00000
     11     -19.5193      1.00000
     12     -19.3468      1.00000
     13     -19.0221      1.00000
     14     -18.9874      1.00000
     15     -18.9792      1.00000
     16     -18.9670      1.00000
     17     -18.2951      1.00000
     18     -18.2760      1.00000
     19     -17.9499      1.00000
     20     -17.0074      1.00000
     21     -16.9578      1.00000
     22     -16.8767      1.00000
     23     -16.8671      1.00000
     24     -16.4030      1.00000
     25     -16.3884      1.00000
     26     -15.5495      1.00000
     27     -15.5337      1.00000
     28     -15.1955      1.00000
     29     -15.1672      1.00000
     30     -15.1126      1.00000
     31     -15.0257      1.00000
     32     -15.0011      1.00000
     33     -14.6342      1.00000
     34     -14.6225      1.00000
     35     -13.6654      1.00000
     36     -13.6502      1.00000
     37     -13.1678      1.00000
     38     -12.5492      1.00000
     39     -12.5164      1.00000
     40     -12.3888      1.00000
     41     -12.3758      1.00000
     42     -12.0555      1.00000
     43     -12.0328      1.00000
     44     -11.6569      1.00000
     45     -11.6152      1.00000
     46     -11.1788      1.00000
     47     -11.1555      1.00000
     48     -10.9625      1.00000
     49     -10.9389      1.00000
     50     -10.8711      1.00000
     51     -10.8354      1.00000
     52     -10.5978      1.00000
     53     -10.0912      1.00000
     54     -10.0867      1.00000
     55     -10.0433      1.00000
     56      -9.9680      1.00000
     57      -9.6521      1.00000
     58      -9.6276      1.00000
     59      -9.5900      1.00000
     60      -9.5279      1.00000
     61      -9.5092      1.00000
     62      -9.4776      1.00000
     63      -9.2619      1.00000
     64      -9.2395      1.00000
     65      -9.2190      1.00000
     66      -9.1647      1.00000
     67      -9.0667      1.00000
     68      -9.0452      1.00000
     69      -9.0394      1.00000
     70      -8.8806      1.00000
     71      -8.8047      1.00000
     72      -8.5736      1.00000
     73      -8.5211      1.00000
     74      -8.4536      1.00000
     75      -8.0340      1.00000
     76      -7.8084      1.00000
     77      -7.8052      1.00000
     78      -7.7910      1.00000
     79      -7.6988      1.00000
     80      -7.6895      1.00000
     81      -7.3674      1.00000
     82      -7.2719      1.00000
     83      -7.2634      1.00000
     84      -7.2161      1.00000
     85      -7.1715      1.00000
     86      -7.0080      1.00000
     87      -6.9462      1.00000
     88      -6.7438      1.00000
     89      -6.6705      1.00000
     90      -6.5935      1.00000
     91      -6.5583      1.00000
     92      -6.0493      1.00000
     93      -6.0450      1.00000
     94      -6.0202      1.00000
     95      -5.9580      1.00000
     96      -5.7351      1.00000
     97      -5.1497      1.00000
     98      -4.9869      1.00000
     99      -4.7165      1.00000
    100      -4.6102      1.00000
    101      -4.4383      1.00000
    102      -4.3727      1.00000
    103      -4.1208      1.00000
    104      -3.8676      1.00000
    105      -3.8255      1.00000
    106      -3.7900      1.00000
    107      -1.7852      0.00000
    108      -1.7386      0.00000
    109      -1.3945      0.00000
    110      -1.3460      0.00000
    111      -1.2651      0.00000
    112      -1.2260      0.00000
    113      -0.7463      0.00000
    114      -0.3808      0.00000
    115      -0.2206      0.00000
    116      -0.0208      0.00000
    117       0.5974      0.00000
    118       0.7409      0.00000
    119       0.7651      0.00000
    120       1.0504      0.00000
    121       1.1413      0.00000
    122       1.2516      0.00000
    123       1.2805      0.00000
    124       1.4250      0.00000
    125       1.4917      0.00000
    126       1.6021      0.00000
    127       1.7462      0.00000
    128       1.8402      0.00000
    129       1.8933      0.00000
    130       1.9623      0.00000
    131       2.0993      0.00000
    132       2.2555      0.00000
    133       2.2635      0.00000
    134       2.3230      0.00000
    135       2.5020      0.00000
    136       2.5895      0.00000
    137       2.6512      0.00000
    138       2.7817      0.00000
    139       2.7932      0.00000
    140       2.8153      0.00000
    141       2.8704      0.00000
    142       2.8862      0.00000
    143       2.9429      0.00000
    144       3.1169      0.00000
    145       3.2962      0.00000
    146       3.3088      0.00000
    147       3.3443      0.00000
    148       3.3698      0.00000
    149       3.4774      0.00000
    150       3.5728      0.00000
    151       3.6231      0.00000
    152       3.6815      0.00000
    153       3.7157      0.00000
    154       3.9239      0.00000
    155       3.9388      0.00000
    156       3.9941      0.00000
    157       4.0855      0.00000
    158       4.2143      0.00000
    159       4.2611      0.00000
    160       4.3045      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2112      1.00000
      2     -22.0052      1.00000
      3     -21.6464      1.00000
      4     -21.6098      1.00000
      5     -20.9102      1.00000
      6     -20.8643      1.00000
      7     -20.5429      1.00000
      8     -20.5040      1.00000
      9     -20.4936      1.00000
     10     -19.9612      1.00000
     11     -19.4399      1.00000
     12     -19.4131      1.00000
     13     -19.2394      1.00000
     14     -19.2250      1.00000
     15     -18.3817      1.00000
     16     -18.3379      1.00000
     17     -17.8578      1.00000
     18     -17.8370      1.00000
     19     -17.6957      1.00000
     20     -17.6534      1.00000
     21     -17.3701      1.00000
     22     -17.3542      1.00000
     23     -17.2726      1.00000
     24     -16.3994      1.00000
     25     -16.3847      1.00000
     26     -15.8943      1.00000
     27     -15.3503      1.00000
     28     -15.3351      1.00000
     29     -15.0326      1.00000
     30     -15.0189      1.00000
     31     -14.7978      1.00000
     32     -14.7733      1.00000
     33     -14.2200      1.00000
     34     -14.1883      1.00000
     35     -13.3692      1.00000
     36     -13.3358      1.00000
     37     -13.1180      1.00000
     38     -13.1007      1.00000
     39     -12.9139      1.00000
     40     -12.9006      1.00000
     41     -12.5550      1.00000
     42     -12.5372      1.00000
     43     -12.1315      1.00000
     44     -11.5194      1.00000
     45     -11.4721      1.00000
     46     -11.2514      1.00000
     47     -11.2180      1.00000
     48     -11.0780      1.00000
     49     -10.6550      1.00000
     50     -10.5876      1.00000
     51     -10.5196      1.00000
     52     -10.2559      1.00000
     53     -10.2474      1.00000
     54     -10.1205      1.00000
     55     -10.0475      1.00000
     56     -10.0398      1.00000
     57      -9.7666      1.00000
     58      -9.7033      1.00000
     59      -9.6782      1.00000
     60      -9.6291      1.00000
     61      -9.6250      1.00000
     62      -9.5861      1.00000
     63      -9.2927      1.00000
     64      -9.2836      1.00000
     65      -9.2515      1.00000
     66      -9.0826      1.00000
     67      -8.8956      1.00000
     68      -8.8817      1.00000
     69      -8.7230      1.00000
     70      -8.5852      1.00000
     71      -8.5125      1.00000
     72      -8.3291      1.00000
     73      -8.3008      1.00000
     74      -8.2628      1.00000
     75      -8.2314      1.00000
     76      -8.1939      1.00000
     77      -8.1851      1.00000
     78      -8.1694      1.00000
     79      -8.0952      1.00000
     80      -7.6866      1.00000
     81      -7.3596      1.00000
     82      -7.3095      1.00000
     83      -7.2649      1.00000
     84      -7.1861      1.00000
     85      -7.1251      1.00000
     86      -7.0756      1.00000
     87      -6.9055      1.00000
     88      -6.8814      1.00000
     89      -6.5483      1.00000
     90      -6.4916      1.00000
     91      -6.2087      1.00000
     92      -6.0667      1.00000
     93      -5.9395      1.00000
     94      -5.7118      1.00000
     95      -5.6315      1.00000
     96      -5.4505      1.00000
     97      -5.3031      1.00000
     98      -5.2330      1.00000
     99      -5.1512      1.00000
    100      -5.1505      1.00000
    101      -4.5188      1.00000
    102      -4.4699      1.00000
    103      -4.1393      1.00000
    104      -3.8284      1.00000
    105      -3.7566      1.00000
    106      -3.6801      1.00000
    107      -1.8710      0.00000
    108      -1.8240      0.00000
    109      -1.2771      0.00000
    110      -1.0361      0.00000
    111      -1.0122      0.00000
    112      -0.7130      0.00000
    113      -0.6400      0.00000
    114      -0.5888      0.00000
    115      -0.5463      0.00000
    116      -0.2062      0.00000
    117       0.2516      0.00000
    118       0.2782      0.00000
    119       0.7708      0.00000
    120       0.9519      0.00000
    121       1.1365      0.00000
    122       1.2327      0.00000
    123       1.3248      0.00000
    124       1.4192      0.00000
    125       1.6136      0.00000
    126       1.6356      0.00000
    127       1.7260      0.00000
    128       1.8197      0.00000
    129       1.9372      0.00000
    130       2.0377      0.00000
    131       2.0669      0.00000
    132       2.2844      0.00000
    133       2.4004      0.00000
    134       2.4538      0.00000
    135       2.5564      0.00000
    136       2.6479      0.00000
    137       2.7103      0.00000
    138       2.7800      0.00000
    139       2.8487      0.00000
    140       2.8962      0.00000
    141       3.0530      0.00000
    142       3.1059      0.00000
    143       3.2094      0.00000
    144       3.2526      0.00000
    145       3.3974      0.00000
    146       3.4331      0.00000
    147       3.5054      0.00000
    148       3.5883      0.00000
    149       3.6141      0.00000
    150       3.6334      0.00000
    151       3.6556      0.00000
    152       3.7406      0.00000
    153       3.7541      0.00000
    154       3.7655      0.00000
    155       3.8068      0.00000
    156       3.9036      0.00000
    157       3.9944      0.00000
    158       4.0198      0.00000
    159       4.1935      0.00000
    160       4.2231      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2450      1.00000
      2     -21.8908      1.00000
      3     -21.8205      1.00000
      4     -21.3089      1.00000
      5     -21.2790      1.00000
      6     -20.7678      1.00000
      7     -20.7022      1.00000
      8     -20.5536      1.00000
      9     -20.0062      1.00000
     10     -19.9990      1.00000
     11     -19.6454      1.00000
     12     -19.6213      1.00000
     13     -18.9270      1.00000
     14     -18.9187      1.00000
     15     -18.5682      1.00000
     16     -18.5546      1.00000
     17     -18.3916      1.00000
     18     -17.6125      1.00000
     19     -17.5567      1.00000
     20     -17.5515      1.00000
     21     -17.5099      1.00000
     22     -17.0536      1.00000
     23     -17.0363      1.00000
     24     -16.8898      1.00000
     25     -15.9280      1.00000
     26     -15.8648      1.00000
     27     -15.5142      1.00000
     28     -15.5133      1.00000
     29     -15.2263      1.00000
     30     -14.7924      1.00000
     31     -14.7653      1.00000
     32     -14.5134      1.00000
     33     -14.4692      1.00000
     34     -14.1000      1.00000
     35     -14.0886      1.00000
     36     -13.0748      1.00000
     37     -13.0305      1.00000
     38     -12.9647      1.00000
     39     -12.9530      1.00000
     40     -12.6433      1.00000
     41     -12.6369      1.00000
     42     -12.2718      1.00000
     43     -12.2404      1.00000
     44     -11.5851      1.00000
     45     -11.5590      1.00000
     46     -11.5045      1.00000
     47     -10.9017      1.00000
     48     -10.8490      1.00000
     49     -10.6170      1.00000
     50     -10.5574      1.00000
     51     -10.4821      1.00000
     52     -10.4318      1.00000
     53     -10.4219      1.00000
     54     -10.3697      1.00000
     55     -10.2917      1.00000
     56     -10.0622      1.00000
     57      -9.8313      1.00000
     58      -9.5463      1.00000
     59      -9.4863      1.00000
     60      -9.4664      1.00000
     61      -9.3446      1.00000
     62      -9.3291      1.00000
     63      -9.3087      1.00000
     64      -9.3065      1.00000
     65      -9.2122      1.00000
     66      -9.1099      1.00000
     67      -9.0794      1.00000
     68      -9.0482      1.00000
     69      -8.8441      1.00000
     70      -8.7914      1.00000
     71      -8.7720      1.00000
     72      -8.5254      1.00000
     73      -8.4723      1.00000
     74      -8.2170      1.00000
     75      -8.1082      1.00000
     76      -8.0979      1.00000
     77      -7.8053      1.00000
     78      -7.7815      1.00000
     79      -7.7798      1.00000
     80      -7.6712      1.00000
     81      -7.6304      1.00000
     82      -7.6291      1.00000
     83      -7.4025      1.00000
     84      -7.3229      1.00000
     85      -7.2058      1.00000
     86      -6.8384      1.00000
     87      -6.8280      1.00000
     88      -6.6575      1.00000
     89      -6.5373      1.00000
     90      -6.3431      1.00000
     91      -6.3054      1.00000
     92      -6.1835      1.00000
     93      -6.1460      1.00000
     94      -5.9763      1.00000
     95      -5.5703      1.00000
     96      -5.4246      1.00000
     97      -5.2578      1.00000
     98      -5.2439      1.00000
     99      -5.1477      1.00000
    100      -4.6941      1.00000
    101      -4.6646      1.00000
    102      -4.3497      1.00000
    103      -4.3113      1.00000
    104      -3.9629      1.00000
    105      -3.8208      1.00000
    106      -3.3904      1.00000
    107      -2.2200      0.00000
    108      -1.3765      0.00000
    109      -1.2867      0.00000
    110      -1.1734      0.00000
    111      -1.0782      0.00000
    112      -0.8940      0.00000
    113      -0.7685      0.00000
    114      -0.7576      0.00000
    115      -0.2226      0.00000
    116       0.1126      0.00000
    117       0.2634      0.00000
    118       0.3454      0.00000
    119       0.7453      0.00000
    120       0.9053      0.00000
    121       0.9732      0.00000
    122       1.1013      0.00000
    123       1.2171      0.00000
    124       1.5385      0.00000
    125       1.5915      0.00000
    126       1.7220      0.00000
    127       1.8390      0.00000
    128       1.8626      0.00000
    129       1.9464      0.00000
    130       2.0315      0.00000
    131       2.1481      0.00000
    132       2.2966      0.00000
    133       2.4075      0.00000
    134       2.4694      0.00000
    135       2.4806      0.00000
    136       2.6663      0.00000
    137       2.6881      0.00000
    138       2.7498      0.00000
    139       2.7571      0.00000
    140       2.9078      0.00000
    141       3.0390      0.00000
    142       3.0974      0.00000
    143       3.1706      0.00000
    144       3.2130      0.00000
    145       3.2593      0.00000
    146       3.2828      0.00000
    147       3.3714      0.00000
    148       3.4951      0.00000
    149       3.5549      0.00000
    150       3.7140      0.00000
    151       3.7646      0.00000
    152       3.7706      0.00000
    153       3.8311      0.00000
    154       3.8991      0.00000
    155       3.9650      0.00000
    156       3.9771      0.00000
    157       4.0034      0.00000
    158       4.0396      0.00000
    159       4.0414      0.00000
    160       4.1094      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1387      1.00000
      2     -22.0444      1.00000
      3     -21.8841      1.00000
      4     -21.3320      1.00000
      5     -20.9790      1.00000
      6     -20.9409      1.00000
      7     -20.4306      1.00000
      8     -20.3885      1.00000
      9     -20.2241      1.00000
     10     -20.2029      1.00000
     11     -19.8865      1.00000
     12     -19.8194      1.00000
     13     -18.8123      1.00000
     14     -18.7418      1.00000
     15     -18.2874      1.00000
     16     -18.2345      1.00000
     17     -18.0836      1.00000
     18     -18.0639      1.00000
     19     -17.7592      1.00000
     20     -17.7173      1.00000
     21     -17.1868      1.00000
     22     -17.1683      1.00000
     23     -17.0979      1.00000
     24     -17.0620      1.00000
     25     -16.0356      1.00000
     26     -15.8206      1.00000
     27     -15.7976      1.00000
     28     -15.7629      1.00000
     29     -15.1720      1.00000
     30     -14.4890      1.00000
     31     -14.4567      1.00000
     32     -14.2162      1.00000
     33     -13.8933      1.00000
     34     -13.8884      1.00000
     35     -13.7544      1.00000
     36     -13.7344      1.00000
     37     -13.5497      1.00000
     38     -13.5015      1.00000
     39     -13.2975      1.00000
     40     -12.5621      1.00000
     41     -12.1231      1.00000
     42     -12.0646      1.00000
     43     -12.0077      1.00000
     44     -11.9496      1.00000
     45     -11.6091      1.00000
     46     -11.5866      1.00000
     47     -11.0831      1.00000
     48     -11.0507      1.00000
     49     -10.7499      1.00000
     50     -10.6623      1.00000
     51     -10.5203      1.00000
     52     -10.1468      1.00000
     53     -10.1367      1.00000
     54     -10.0945      1.00000
     55      -9.9513      1.00000
     56      -9.9457      1.00000
     57      -9.9156      1.00000
     58      -9.7359      1.00000
     59      -9.7297      1.00000
     60      -9.6994      1.00000
     61      -9.6894      1.00000
     62      -9.4255      1.00000
     63      -9.3611      1.00000
     64      -9.0822      1.00000
     65      -9.0050      1.00000
     66      -8.9732      1.00000
     67      -8.8866      1.00000
     68      -8.8096      1.00000
     69      -8.6558      1.00000
     70      -8.6335      1.00000
     71      -8.5744      1.00000
     72      -8.4769      1.00000
     73      -8.4657      1.00000
     74      -8.3965      1.00000
     75      -8.3929      1.00000
     76      -8.1821      1.00000
     77      -8.1106      1.00000
     78      -7.9757      1.00000
     79      -7.9118      1.00000
     80      -7.8455      1.00000
     81      -7.6142      1.00000
     82      -7.5292      1.00000
     83      -7.4681      1.00000
     84      -7.2656      1.00000
     85      -6.9330      1.00000
     86      -6.8571      1.00000
     87      -6.8104      1.00000
     88      -6.5704      1.00000
     89      -6.4654      1.00000
     90      -6.4195      1.00000
     91      -6.3557      1.00000
     92      -6.0486      1.00000
     93      -5.8754      1.00000
     94      -5.7516      1.00000
     95      -5.7204      1.00000
     96      -5.4740      1.00000
     97      -5.3440      1.00000
     98      -5.1790      1.00000
     99      -5.1549      1.00000
    100      -5.1538      1.00000
    101      -4.7056      1.00000
    102      -4.4408      1.00000
    103      -4.2522      1.00000
    104      -3.9938      1.00000
    105      -3.8197      1.00000
    106      -3.1566      1.00000
    107      -2.4631      0.00000
    108      -1.3784      0.00000
    109      -1.2412      0.00000
    110      -1.1465      0.00000
    111      -1.1147      0.00000
    112      -0.5652      0.00000
    113      -0.4351      0.00000
    114      -0.4308      0.00000
    115      -0.3105      0.00000
    116      -0.1912      0.00000
    117       0.0614      0.00000
    118       0.1153      0.00000
    119       0.5399      0.00000
    120       0.6837      0.00000
    121       0.8816      0.00000
    122       0.9796      0.00000
    123       1.1212      0.00000
    124       1.5055      0.00000
    125       1.6794      0.00000
    126       1.8390      0.00000
    127       1.8952      0.00000
    128       2.0860      0.00000
    129       2.1191      0.00000
    130       2.1691      0.00000
    131       2.2198      0.00000
    132       2.3295      0.00000
    133       2.3406      0.00000
    134       2.4833      0.00000
    135       2.5643      0.00000
    136       2.6880      0.00000
    137       2.8903      0.00000
    138       2.9380      0.00000
    139       2.9793      0.00000
    140       3.0052      0.00000
    141       3.0571      0.00000
    142       3.1417      0.00000
    143       3.1675      0.00000
    144       3.2578      0.00000
    145       3.3051      0.00000
    146       3.3432      0.00000
    147       3.3543      0.00000
    148       3.3893      0.00000
    149       3.4234      0.00000
    150       3.5125      0.00000
    151       3.5638      0.00000
    152       3.6255      0.00000
    153       3.6557      0.00000
    154       3.7034      0.00000
    155       3.7271      0.00000
    156       3.9337      0.00000
    157       3.9477      0.00000
    158       4.0760      0.00000
    159       4.1177      0.00000
    160       4.2270      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2449      1.00000
      2     -21.8922      1.00000
      3     -21.8192      1.00000
      4     -21.3135      1.00000
      5     -21.2750      1.00000
      6     -20.7687      1.00000
      7     -20.7003      1.00000
      8     -20.5521      1.00000
      9     -20.0202      1.00000
     10     -19.9882      1.00000
     11     -19.6478      1.00000
     12     -19.6171      1.00000
     13     -18.9409      1.00000
     14     -18.9065      1.00000
     15     -18.5816      1.00000
     16     -18.5446      1.00000
     17     -18.3899      1.00000
     18     -17.5995      1.00000
     19     -17.5687      1.00000
     20     -17.5394      1.00000
     21     -17.5067      1.00000
     22     -17.0722      1.00000
     23     -17.0257      1.00000
     24     -16.8983      1.00000
     25     -15.9436      1.00000
     26     -15.8489      1.00000
     27     -15.5309      1.00000
     28     -15.5046      1.00000
     29     -15.2075      1.00000
     30     -14.8115      1.00000
     31     -14.7596      1.00000
     32     -14.5077      1.00000
     33     -14.4662      1.00000
     34     -14.0943      1.00000
     35     -14.0912      1.00000
     36     -13.1027      1.00000
     37     -13.0275      1.00000
     38     -12.9550      1.00000
     39     -12.9480      1.00000
     40     -12.6538      1.00000
     41     -12.6258      1.00000
     42     -12.2718      1.00000
     43     -12.2449      1.00000
     44     -11.5712      1.00000
     45     -11.5520      1.00000
     46     -11.4986      1.00000
     47     -10.8757      1.00000
     48     -10.8665      1.00000
     49     -10.6769      1.00000
     50     -10.5238      1.00000
     51     -10.5177      1.00000
     52     -10.4316      1.00000
     53     -10.4141      1.00000
     54     -10.3686      1.00000
     55     -10.2862      1.00000
     56     -10.0575      1.00000
     57      -9.8303      1.00000
     58      -9.5565      1.00000
     59      -9.4830      1.00000
     60      -9.4411      1.00000
     61      -9.3539      1.00000
     62      -9.3376      1.00000
     63      -9.3063      1.00000
     64      -9.3006      1.00000
     65      -9.2041      1.00000
     66      -9.0979      1.00000
     67      -9.0672      1.00000
     68      -9.0475      1.00000
     69      -8.8467      1.00000
     70      -8.7951      1.00000
     71      -8.7759      1.00000
     72      -8.5251      1.00000
     73      -8.4931      1.00000
     74      -8.2220      1.00000
     75      -8.1277      1.00000
     76      -8.0915      1.00000
     77      -7.8050      1.00000
     78      -7.7661      1.00000
     79      -7.7382      1.00000
     80      -7.7002      1.00000
     81      -7.6345      1.00000
     82      -7.6232      1.00000
     83      -7.3881      1.00000
     84      -7.3436      1.00000
     85      -7.2245      1.00000
     86      -6.8422      1.00000
     87      -6.8199      1.00000
     88      -6.6362      1.00000
     89      -6.5281      1.00000
     90      -6.3405      1.00000
     91      -6.2711      1.00000
     92      -6.1939      1.00000
     93      -6.1309      1.00000
     94      -6.0185      1.00000
     95      -5.6325      1.00000
     96      -5.5067      1.00000
     97      -5.2966      1.00000
     98      -5.1552      1.00000
     99      -5.0379      1.00000
    100      -4.7237      1.00000
    101      -4.6845      1.00000
    102      -4.3680      1.00000
    103      -4.1829      1.00000
    104      -4.0066      1.00000
    105      -3.8192      1.00000
    106      -3.4842      1.00000
    107      -2.1648      0.00000
    108      -1.3831      0.00000
    109      -1.2358      0.00000
    110      -1.1855      0.00000
    111      -1.0143      0.00000
    112      -0.9559      0.00000
    113      -0.7976      0.00000
    114      -0.7524      0.00000
    115      -0.3690      0.00000
    116       0.2447      0.00000
    117       0.2762      0.00000
    118       0.3634      0.00000
    119       0.7112      0.00000
    120       0.8695      0.00000
    121       0.9656      0.00000
    122       1.1342      0.00000
    123       1.2475      0.00000
    124       1.4617      0.00000
    125       1.5862      0.00000
    126       1.7849      0.00000
    127       1.8471      0.00000
    128       1.8726      0.00000
    129       2.0030      0.00000
    130       2.0420      0.00000
    131       2.1828      0.00000
    132       2.2361      0.00000
    133       2.4003      0.00000
    134       2.4247      0.00000
    135       2.5098      0.00000
    136       2.6599      0.00000
    137       2.6847      0.00000
    138       2.7441      0.00000
    139       2.7839      0.00000
    140       2.8768      0.00000
    141       2.9898      0.00000
    142       3.0948      0.00000
    143       3.1584      0.00000
    144       3.2098      0.00000
    145       3.2659      0.00000
    146       3.3015      0.00000
    147       3.3417      0.00000
    148       3.4960      0.00000
    149       3.5371      0.00000
    150       3.7186      0.00000
    151       3.7396      0.00000
    152       3.7711      0.00000
    153       3.8672      0.00000
    154       3.8811      0.00000
    155       3.9079      0.00000
    156       3.9684      0.00000
    157       4.0101      0.00000
    158       4.0439      0.00000
    159       4.0478      0.00000
    160       4.0939      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3169      1.00000
      2     -21.7587      1.00000
      3     -21.5651      1.00000
      4     -21.5383      1.00000
      5     -21.2022      1.00000
      6     -21.1638      1.00000
      7     -20.9834      1.00000
      8     -20.0960      1.00000
      9     -20.0577      1.00000
     10     -19.5439      1.00000
     11     -19.5238      1.00000
     12     -19.3426      1.00000
     13     -19.0256      1.00000
     14     -18.9860      1.00000
     15     -18.9755      1.00000
     16     -18.9697      1.00000
     17     -18.2939      1.00000
     18     -18.2803      1.00000
     19     -17.9443      1.00000
     20     -16.9982      1.00000
     21     -16.9580      1.00000
     22     -16.8809      1.00000
     23     -16.8680      1.00000
     24     -16.4140      1.00000
     25     -16.3917      1.00000
     26     -15.5386      1.00000
     27     -15.5354      1.00000
     28     -15.1709      1.00000
     29     -15.1696      1.00000
     30     -15.1287      1.00000
     31     -15.0345      1.00000
     32     -14.9992      1.00000
     33     -14.6313      1.00000
     34     -14.6247      1.00000
     35     -13.6608      1.00000
     36     -13.6513      1.00000
     37     -13.1693      1.00000
     38     -12.5710      1.00000
     39     -12.5118      1.00000
     40     -12.3835      1.00000
     41     -12.3832      1.00000
     42     -12.0338      1.00000
     43     -12.0300      1.00000
     44     -11.6527      1.00000
     45     -11.6129      1.00000
     46     -11.2041      1.00000
     47     -11.1556      1.00000
     48     -10.9532      1.00000
     49     -10.9405      1.00000
     50     -10.8584      1.00000
     51     -10.8265      1.00000
     52     -10.6195      1.00000
     53     -10.1437      1.00000
     54     -10.0826      1.00000
     55     -10.0235      1.00000
     56      -9.9426      1.00000
     57      -9.6294      1.00000
     58      -9.6277      1.00000
     59      -9.6011      1.00000
     60      -9.5388      1.00000
     61      -9.5022      1.00000
     62      -9.4776      1.00000
     63      -9.2699      1.00000
     64      -9.2339      1.00000
     65      -9.2051      1.00000
     66      -9.1779      1.00000
     67      -9.0607      1.00000
     68      -9.0455      1.00000
     69      -9.0420      1.00000
     70      -8.8752      1.00000
     71      -8.8070      1.00000
     72      -8.5316      1.00000
     73      -8.5315      1.00000
     74      -8.4941      1.00000
     75      -8.0298      1.00000
     76      -7.8305      1.00000
     77      -7.7963      1.00000
     78      -7.7727      1.00000
     79      -7.7022      1.00000
     80      -7.6832      1.00000
     81      -7.4179      1.00000
     82      -7.2866      1.00000
     83      -7.2505      1.00000
     84      -7.2009      1.00000
     85      -7.0790      1.00000
     86      -7.0779      1.00000
     87      -6.9373      1.00000
     88      -6.7085      1.00000
     89      -6.6724      1.00000
     90      -6.6280      1.00000
     91      -6.5565      1.00000
     92      -6.0703      1.00000
     93      -6.0300      1.00000
     94      -5.9996      1.00000
     95      -5.9367      1.00000
     96      -5.7975      1.00000
     97      -5.1764      1.00000
     98      -4.8916      1.00000
     99      -4.7913      1.00000
    100      -4.6102      1.00000
    101      -4.5119      1.00000
    102      -4.1381      1.00000
    103      -4.0907      1.00000
    104      -3.9309      1.00000
    105      -3.9154      1.00000
    106      -3.8186      1.00000
    107      -1.7518      0.00000
    108      -1.6967      0.00000
    109      -1.4100      0.00000
    110      -1.3714      0.00000
    111      -1.2648      0.00000
    112      -1.2357      0.00000
    113      -0.6262      0.00000
    114      -0.5987      0.00000
    115      -0.1901      0.00000
    116       0.0399      0.00000
    117       0.5935      0.00000
    118       0.7432      0.00000
    119       0.8486      0.00000
    120       0.9296      0.00000
    121       1.1671      0.00000
    122       1.2163      0.00000
    123       1.2502      0.00000
    124       1.4404      0.00000
    125       1.6038      0.00000
    126       1.6530      0.00000
    127       1.7187      0.00000
    128       1.7837      0.00000
    129       1.9181      0.00000
    130       1.9391      0.00000
    131       2.1502      0.00000
    132       2.1890      0.00000
    133       2.2676      0.00000
    134       2.3255      0.00000
    135       2.5622      0.00000
    136       2.5924      0.00000
    137       2.5980      0.00000
    138       2.7686      0.00000
    139       2.7967      0.00000
    140       2.8037      0.00000
    141       2.8937      0.00000
    142       2.9203      0.00000
    143       3.0327      0.00000
    144       3.0552      0.00000
    145       3.1212      0.00000
    146       3.3110      0.00000
    147       3.3248      0.00000
    148       3.3889      0.00000
    149       3.4888      0.00000
    150       3.5869      0.00000
    151       3.6525      0.00000
    152       3.6648      0.00000
    153       3.6847      0.00000
    154       3.9099      0.00000
    155       3.9834      0.00000
    156       4.0223      0.00000
    157       4.0933      0.00000
    158       4.2546      0.00000
    159       4.2652      0.00000
    160       4.2741      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1378      1.00000
      2     -22.0457      1.00000
      3     -21.8836      1.00000
      4     -21.3329      1.00000
      5     -20.9741      1.00000
      6     -20.9450      1.00000
      7     -20.4254      1.00000
      8     -20.3938      1.00000
      9     -20.2137      1.00000
     10     -20.2120      1.00000
     11     -19.8855      1.00000
     12     -19.8218      1.00000
     13     -18.8154      1.00000
     14     -18.7448      1.00000
     15     -18.2636      1.00000
     16     -18.2497      1.00000
     17     -18.0783      1.00000
     18     -18.0717      1.00000
     19     -17.7438      1.00000
     20     -17.7283      1.00000
     21     -17.1930      1.00000
     22     -17.1698      1.00000
     23     -17.0873      1.00000
     24     -17.0661      1.00000
     25     -16.0516      1.00000
     26     -15.8063      1.00000
     27     -15.7968      1.00000
     28     -15.7759      1.00000
     29     -15.1578      1.00000
     30     -14.4836      1.00000
     31     -14.4625      1.00000
     32     -14.2028      1.00000
     33     -13.9147      1.00000
     34     -13.8848      1.00000
     35     -13.7577      1.00000
     36     -13.7371      1.00000
     37     -13.5345      1.00000
     38     -13.5088      1.00000
     39     -13.2990      1.00000
     40     -12.5743      1.00000
     41     -12.0996      1.00000
     42     -12.0756      1.00000
     43     -11.9965      1.00000
     44     -11.9489      1.00000
     45     -11.6040      1.00000
     46     -11.5965      1.00000
     47     -11.0825      1.00000
     48     -11.0598      1.00000
     49     -10.7299      1.00000
     50     -10.6627      1.00000
     51     -10.5521      1.00000
     52     -10.1382      1.00000
     53     -10.1335      1.00000
     54     -10.0989      1.00000
     55      -9.9645      1.00000
     56      -9.9238      1.00000
     57      -9.9198      1.00000
     58      -9.7490      1.00000
     59      -9.7277      1.00000
     60      -9.6960      1.00000
     61      -9.6936      1.00000
     62      -9.3973      1.00000
     63      -9.3875      1.00000
     64      -9.0656      1.00000
     65      -8.9802      1.00000
     66      -8.9800      1.00000
     67      -8.9044      1.00000
     68      -8.8104      1.00000
     69      -8.6479      1.00000
     70      -8.6326      1.00000
     71      -8.5433      1.00000
     72      -8.5001      1.00000
     73      -8.4812      1.00000
     74      -8.3931      1.00000
     75      -8.3812      1.00000
     76      -8.2073      1.00000
     77      -8.0988      1.00000
     78      -8.0053      1.00000
     79      -7.8993      1.00000
     80      -7.8413      1.00000
     81      -7.6198      1.00000
     82      -7.5320      1.00000
     83      -7.4555      1.00000
     84      -7.2615      1.00000
     85      -6.9415      1.00000
     86      -6.8680      1.00000
     87      -6.8093      1.00000
     88      -6.4768      1.00000
     89      -6.4674      1.00000
     90      -6.4086      1.00000
     91      -6.3583      1.00000
     92      -6.1830      1.00000
     93      -5.8568      1.00000
     94      -5.7368      1.00000
     95      -5.7101      1.00000
     96      -5.5199      1.00000
     97      -5.3277      1.00000
     98      -5.1714      1.00000
     99      -5.1668      1.00000
    100      -5.1330      1.00000
    101      -4.6948      1.00000
    102      -4.3490      1.00000
    103      -4.2767      1.00000
    104      -4.0261      1.00000
    105      -3.8206      1.00000
    106      -3.2329      1.00000
    107      -2.4058      0.00000
    108      -1.3450      0.00000
    109      -1.2437      0.00000
    110      -1.1540      0.00000
    111      -1.1086      0.00000
    112      -0.5843      0.00000
    113      -0.5221      0.00000
    114      -0.4341      0.00000
    115      -0.2750      0.00000
    116      -0.0728      0.00000
    117      -0.0123      0.00000
    118       0.0596      0.00000
    119       0.5838      0.00000
    120       0.7099      0.00000
    121       0.8199      0.00000
    122       0.9539      0.00000
    123       1.1945      0.00000
    124       1.5312      0.00000
    125       1.6318      0.00000
    126       1.8855      0.00000
    127       2.0244      0.00000
    128       2.0615      0.00000
    129       2.0934      0.00000
    130       2.1390      0.00000
    131       2.2280      0.00000
    132       2.2867      0.00000
    133       2.3384      0.00000
    134       2.4302      0.00000
    135       2.6110      0.00000
    136       2.7152      0.00000
    137       2.8489      0.00000
    138       2.9142      0.00000
    139       2.9449      0.00000
    140       3.0255      0.00000
    141       3.0609      0.00000
    142       3.1300      0.00000
    143       3.1760      0.00000
    144       3.2310      0.00000
    145       3.3093      0.00000
    146       3.3232      0.00000
    147       3.3623      0.00000
    148       3.3811      0.00000
    149       3.4366      0.00000
    150       3.4583      0.00000
    151       3.5666      0.00000
    152       3.6129      0.00000
    153       3.6590      0.00000
    154       3.7026      0.00000
    155       3.8709      0.00000
    156       3.9147      0.00000
    157       3.9468      0.00000
    158       3.9691      0.00000
    159       4.1806      0.00000
    160       4.2069      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2108      1.00000
      2     -22.0058      1.00000
      3     -21.6437      1.00000
      4     -21.6129      1.00000
      5     -20.9072      1.00000
      6     -20.8671      1.00000
      7     -20.5367      1.00000
      8     -20.5045      1.00000
      9     -20.4978      1.00000
     10     -19.9603      1.00000
     11     -19.4387      1.00000
     12     -19.4168      1.00000
     13     -19.2380      1.00000
     14     -19.2307      1.00000
     15     -18.3740      1.00000
     16     -18.3393      1.00000
     17     -17.8570      1.00000
     18     -17.8409      1.00000
     19     -17.6893      1.00000
     20     -17.6538      1.00000
     21     -17.3706      1.00000
     22     -17.3563      1.00000
     23     -17.2658      1.00000
     24     -16.4115      1.00000
     25     -16.3884      1.00000
     26     -15.9026      1.00000
     27     -15.3415      1.00000
     28     -15.3368      1.00000
     29     -15.0292      1.00000
     30     -15.0197      1.00000
     31     -14.7749      1.00000
     32     -14.7730      1.00000
     33     -14.2358      1.00000
     34     -14.1855      1.00000
     35     -13.3859      1.00000
     36     -13.3320      1.00000
     37     -13.1094      1.00000
     38     -13.1016      1.00000
     39     -12.9157      1.00000
     40     -12.9100      1.00000
     41     -12.5438      1.00000
     42     -12.5364      1.00000
     43     -12.1320      1.00000
     44     -11.5116      1.00000
     45     -11.4677      1.00000
     46     -11.2427      1.00000
     47     -11.2115      1.00000
     48     -11.0847      1.00000
     49     -10.7009      1.00000
     50     -10.5941      1.00000
     51     -10.5057      1.00000
     52     -10.2500      1.00000
     53     -10.2459      1.00000
     54     -10.1191      1.00000
     55     -10.0527      1.00000
     56     -10.0378      1.00000
     57      -9.7822      1.00000
     58      -9.6856      1.00000
     59      -9.6719      1.00000
     60      -9.6363      1.00000
     61      -9.6268      1.00000
     62      -9.5843      1.00000
     63      -9.2940      1.00000
     64      -9.2822      1.00000
     65      -9.2515      1.00000
     66      -9.0595      1.00000
     67      -8.8935      1.00000
     68      -8.8825      1.00000
     69      -8.7171      1.00000
     70      -8.5769      1.00000
     71      -8.5247      1.00000
     72      -8.3487      1.00000
     73      -8.3034      1.00000
     74      -8.2420      1.00000
     75      -8.2365      1.00000
     76      -8.1933      1.00000
     77      -8.1809      1.00000
     78      -8.1684      1.00000
     79      -8.1022      1.00000
     80      -7.6875      1.00000
     81      -7.4227      1.00000
     82      -7.3422      1.00000
     83      -7.2587      1.00000
     84      -7.1678      1.00000
     85      -7.1086      1.00000
     86      -7.0049      1.00000
     87      -6.9025      1.00000
     88      -6.8480      1.00000
     89      -6.5410      1.00000
     90      -6.4977      1.00000
     91      -6.2057      1.00000
     92      -6.2007      1.00000
     93      -5.8935      1.00000
     94      -5.6713      1.00000
     95      -5.6049      1.00000
     96      -5.5790      1.00000
     97      -5.2525      1.00000
     98      -5.2300      1.00000
     99      -5.1640      1.00000
    100      -5.1337      1.00000
    101      -4.5987      1.00000
    102      -4.2471      1.00000
    103      -4.0424      1.00000
    104      -3.8840      1.00000
    105      -3.8358      1.00000
    106      -3.7981      1.00000
    107      -1.8081      0.00000
    108      -1.7816      0.00000
    109      -1.2251      0.00000
    110      -1.1754      0.00000
    111      -0.9743      0.00000
    112      -0.7348      0.00000
    113      -0.6504      0.00000
    114      -0.5942      0.00000
    115      -0.5496      0.00000
    116      -0.1567      0.00000
    117       0.1756      0.00000
    118       0.2877      0.00000
    119       0.7165      0.00000
    120       0.9589      0.00000
    121       1.1710      0.00000
    122       1.2772      0.00000
    123       1.3567      0.00000
    124       1.5258      0.00000
    125       1.6177      0.00000
    126       1.6381      0.00000
    127       1.6955      0.00000
    128       1.7828      0.00000
    129       1.8767      0.00000
    130       2.0417      0.00000
    131       2.1693      0.00000
    132       2.2854      0.00000
    133       2.4213      0.00000
    134       2.4236      0.00000
    135       2.5769      0.00000
    136       2.6408      0.00000
    137       2.6963      0.00000
    138       2.7015      0.00000
    139       2.7766      0.00000
    140       2.9168      0.00000
    141       3.0628      0.00000
    142       3.0747      0.00000
    143       3.2047      0.00000
    144       3.2920      0.00000
    145       3.4068      0.00000
    146       3.4235      0.00000
    147       3.4668      0.00000
    148       3.5526      0.00000
    149       3.5923      0.00000
    150       3.6417      0.00000
    151       3.6756      0.00000
    152       3.7010      0.00000
    153       3.7574      0.00000
    154       3.7624      0.00000
    155       3.8432      0.00000
    156       3.9156      0.00000
    157       3.9170      0.00000
    158       3.9823      0.00000
    159       4.2037      0.00000
    160       4.2401      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3536      1.00000
      2     -21.5329      1.00000
      3     -21.4045      1.00000
      4     -21.4038      1.00000
      5     -21.3724      1.00000
      6     -21.3635      1.00000
      7     -21.3560      1.00000
      8     -19.6429      1.00000
      9     -19.5697      1.00000
     10     -19.5627      1.00000
     11     -19.5564      1.00000
     12     -19.5382      1.00000
     13     -19.5355      1.00000
     14     -18.7254      1.00000
     15     -18.6774      1.00000
     16     -18.6698      1.00000
     17     -18.6564      1.00000
     18     -18.6413      1.00000
     19     -18.6397      1.00000
     20     -16.5836      1.00000
     21     -16.5247      1.00000
     22     -16.5223      1.00000
     23     -16.5097      1.00000
     24     -16.4853      1.00000
     25     -16.4835      1.00000
     26     -15.5561      1.00000
     27     -15.5241      1.00000
     28     -15.5234      1.00000
     29     -15.4975      1.00000
     30     -15.4925      1.00000
     31     -15.4871      1.00000
     32     -14.2040      1.00000
     33     -14.1782      1.00000
     34     -14.1656      1.00000
     35     -14.1633      1.00000
     36     -14.1580      1.00000
     37     -14.1470      1.00000
     38     -11.8809      1.00000
     39     -11.8067      1.00000
     40     -11.7906      1.00000
     41     -11.7905      1.00000
     42     -11.7872      1.00000
     43     -11.7815      1.00000
     44     -11.7026      1.00000
     45     -11.6965      1.00000
     46     -11.6706      1.00000
     47     -11.6560      1.00000
     48     -11.6558      1.00000
     49     -11.6488      1.00000
     50     -10.6679      1.00000
     51     -10.3270      1.00000
     52     -10.3190      1.00000
     53     -10.3036      1.00000
     54     -10.3022      1.00000
     55     -10.2893      1.00000
     56     -10.2763      1.00000
     57      -9.9211      1.00000
     58      -9.3704      1.00000
     59      -9.3576      1.00000
     60      -9.2985      1.00000
     61      -9.2905      1.00000
     62      -9.2836      1.00000
     63      -9.0899      1.00000
     64      -9.0528      1.00000
     65      -9.0478      1.00000
     66      -9.0250      1.00000
     67      -9.0056      1.00000
     68      -9.0004      1.00000
     69      -8.9992      1.00000
     70      -8.9934      1.00000
     71      -8.9907      1.00000
     72      -8.9712      1.00000
     73      -8.9634      1.00000
     74      -8.9533      1.00000
     75      -8.4873      1.00000
     76      -7.5158      1.00000
     77      -7.4093      1.00000
     78      -7.4091      1.00000
     79      -7.3956      1.00000
     80      -7.3823      1.00000
     81      -7.3631      1.00000
     82      -7.3401      1.00000
     83      -7.3104      1.00000
     84      -7.2653      1.00000
     85      -7.2049      1.00000
     86      -7.1787      1.00000
     87      -7.1786      1.00000
     88      -7.0795      1.00000
     89      -6.5051      1.00000
     90      -6.4591      1.00000
     91      -6.3532      1.00000
     92      -6.2929      1.00000
     93      -6.2869      1.00000
     94      -6.2856      1.00000
     95      -5.8962      1.00000
     96      -5.8841      1.00000
     97      -5.0394      1.00000
     98      -4.9344      1.00000
     99      -4.5349      1.00000
    100      -4.3402      1.00000
    101      -4.3176      1.00000
    102      -4.3164      1.00000
    103      -4.1167      1.00000
    104      -3.9116      1.00000
    105      -3.9012      1.00000
    106      -3.8243      1.00000
    107      -1.6813      0.00000
    108      -1.6680      0.00000
    109      -1.5367      0.00000
    110      -1.5348      0.00000
    111      -1.5237      0.00000
    112      -1.5093      0.00000
    113      -0.5887      0.00000
    114       0.1331      0.00000
    115       0.2065      0.00000
    116       0.3245      0.00000
    117       0.3261      0.00000
    118       0.3336      0.00000
    119       0.4934      0.00000
    120       0.6092      0.00000
    121       1.2614      0.00000
    122       1.2895      0.00000
    123       1.5419      0.00000
    124       1.7558      0.00000
    125       1.8166      0.00000
    126       1.8204      0.00000
    127       1.8258      0.00000
    128       1.9468      0.00000
    129       1.9926      0.00000
    130       2.0308      0.00000
    131       2.0448      0.00000
    132       2.0499      0.00000
    133       2.0570      0.00000
    134       2.0658      0.00000
    135       2.3180      0.00000
    136       2.3284      0.00000
    137       2.6481      0.00000
    138       2.6571      0.00000
    139       2.6883      0.00000
    140       2.7358      0.00000
    141       2.8876      0.00000
    142       2.9958      0.00000
    143       3.0168      0.00000
    144       3.0359      0.00000
    145       3.0370      0.00000
    146       3.0406      0.00000
    147       3.0918      0.00000
    148       3.2501      0.00000
    149       3.4391      0.00000
    150       3.5593      0.00000
    151       3.7820      0.00000
    152       3.9499      0.00000
    153       3.9606      0.00000
    154       3.9671      0.00000
    155       3.9672      0.00000
    156       4.0111      0.00000
    157       4.1883      0.00000
    158       4.2700      0.00000
    159       4.2937      0.00000
    160       4.2950      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3169      1.00000
      2     -21.7584      1.00000
      3     -21.5678      1.00000
      4     -21.5354      1.00000
      5     -21.2050      1.00000
      6     -21.1605      1.00000
      7     -20.9847      1.00000
      8     -20.0990      1.00000
      9     -20.0553      1.00000
     10     -19.5437      1.00000
     11     -19.5193      1.00000
     12     -19.3468      1.00000
     13     -19.0221      1.00000
     14     -18.9874      1.00000
     15     -18.9792      1.00000
     16     -18.9670      1.00000
     17     -18.2951      1.00000
     18     -18.2760      1.00000
     19     -17.9499      1.00000
     20     -17.0074      1.00000
     21     -16.9578      1.00000
     22     -16.8767      1.00000
     23     -16.8671      1.00000
     24     -16.4030      1.00000
     25     -16.3884      1.00000
     26     -15.5495      1.00000
     27     -15.5337      1.00000
     28     -15.1955      1.00000
     29     -15.1672      1.00000
     30     -15.1126      1.00000
     31     -15.0257      1.00000
     32     -15.0011      1.00000
     33     -14.6342      1.00000
     34     -14.6225      1.00000
     35     -13.6654      1.00000
     36     -13.6502      1.00000
     37     -13.1678      1.00000
     38     -12.5492      1.00000
     39     -12.5164      1.00000
     40     -12.3888      1.00000
     41     -12.3758      1.00000
     42     -12.0555      1.00000
     43     -12.0328      1.00000
     44     -11.6569      1.00000
     45     -11.6152      1.00000
     46     -11.1788      1.00000
     47     -11.1555      1.00000
     48     -10.9625      1.00000
     49     -10.9389      1.00000
     50     -10.8711      1.00000
     51     -10.8354      1.00000
     52     -10.5978      1.00000
     53     -10.0912      1.00000
     54     -10.0867      1.00000
     55     -10.0433      1.00000
     56      -9.9680      1.00000
     57      -9.6521      1.00000
     58      -9.6276      1.00000
     59      -9.5900      1.00000
     60      -9.5279      1.00000
     61      -9.5092      1.00000
     62      -9.4776      1.00000
     63      -9.2619      1.00000
     64      -9.2395      1.00000
     65      -9.2190      1.00000
     66      -9.1647      1.00000
     67      -9.0667      1.00000
     68      -9.0452      1.00000
     69      -9.0394      1.00000
     70      -8.8806      1.00000
     71      -8.8047      1.00000
     72      -8.5736      1.00000
     73      -8.5211      1.00000
     74      -8.4536      1.00000
     75      -8.0340      1.00000
     76      -7.8084      1.00000
     77      -7.8052      1.00000
     78      -7.7910      1.00000
     79      -7.6988      1.00000
     80      -7.6895      1.00000
     81      -7.3674      1.00000
     82      -7.2719      1.00000
     83      -7.2634      1.00000
     84      -7.2161      1.00000
     85      -7.1715      1.00000
     86      -7.0080      1.00000
     87      -6.9462      1.00000
     88      -6.7438      1.00000
     89      -6.6705      1.00000
     90      -6.5935      1.00000
     91      -6.5583      1.00000
     92      -6.0493      1.00000
     93      -6.0450      1.00000
     94      -6.0202      1.00000
     95      -5.9580      1.00000
     96      -5.7351      1.00000
     97      -5.1497      1.00000
     98      -4.9869      1.00000
     99      -4.7165      1.00000
    100      -4.6102      1.00000
    101      -4.4383      1.00000
    102      -4.3727      1.00000
    103      -4.1208      1.00000
    104      -3.8676      1.00000
    105      -3.8255      1.00000
    106      -3.7900      1.00000
    107      -1.7852      0.00000
    108      -1.7386      0.00000
    109      -1.3945      0.00000
    110      -1.3460      0.00000
    111      -1.2651      0.00000
    112      -1.2260      0.00000
    113      -0.7463      0.00000
    114      -0.3808      0.00000
    115      -0.2206      0.00000
    116      -0.0208      0.00000
    117       0.5974      0.00000
    118       0.7409      0.00000
    119       0.7651      0.00000
    120       1.0504      0.00000
    121       1.1413      0.00000
    122       1.2516      0.00000
    123       1.2805      0.00000
    124       1.4250      0.00000
    125       1.4917      0.00000
    126       1.6021      0.00000
    127       1.7462      0.00000
    128       1.8402      0.00000
    129       1.8933      0.00000
    130       1.9623      0.00000
    131       2.0993      0.00000
    132       2.2555      0.00000
    133       2.2635      0.00000
    134       2.3230      0.00000
    135       2.5020      0.00000
    136       2.5895      0.00000
    137       2.6512      0.00000
    138       2.7817      0.00000
    139       2.7932      0.00000
    140       2.8153      0.00000
    141       2.8704      0.00000
    142       2.8862      0.00000
    143       2.9429      0.00000
    144       3.1169      0.00000
    145       3.2962      0.00000
    146       3.3088      0.00000
    147       3.3443      0.00000
    148       3.3698      0.00000
    149       3.4774      0.00000
    150       3.5728      0.00000
    151       3.6231      0.00000
    152       3.6815      0.00000
    153       3.7157      0.00000
    154       3.9239      0.00000
    155       3.9388      0.00000
    156       3.9941      0.00000
    157       4.0854      0.00000
    158       4.2143      0.00000
    159       4.2611      0.00000
    160       4.3045      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2112      1.00000
      2     -22.0052      1.00000
      3     -21.6464      1.00000
      4     -21.6098      1.00000
      5     -20.9102      1.00000
      6     -20.8643      1.00000
      7     -20.5429      1.00000
      8     -20.5040      1.00000
      9     -20.4936      1.00000
     10     -19.9612      1.00000
     11     -19.4399      1.00000
     12     -19.4131      1.00000
     13     -19.2394      1.00000
     14     -19.2250      1.00000
     15     -18.3817      1.00000
     16     -18.3379      1.00000
     17     -17.8578      1.00000
     18     -17.8370      1.00000
     19     -17.6957      1.00000
     20     -17.6534      1.00000
     21     -17.3701      1.00000
     22     -17.3542      1.00000
     23     -17.2726      1.00000
     24     -16.3994      1.00000
     25     -16.3847      1.00000
     26     -15.8943      1.00000
     27     -15.3503      1.00000
     28     -15.3351      1.00000
     29     -15.0326      1.00000
     30     -15.0189      1.00000
     31     -14.7978      1.00000
     32     -14.7733      1.00000
     33     -14.2200      1.00000
     34     -14.1883      1.00000
     35     -13.3692      1.00000
     36     -13.3358      1.00000
     37     -13.1180      1.00000
     38     -13.1007      1.00000
     39     -12.9139      1.00000
     40     -12.9006      1.00000
     41     -12.5550      1.00000
     42     -12.5372      1.00000
     43     -12.1315      1.00000
     44     -11.5194      1.00000
     45     -11.4721      1.00000
     46     -11.2514      1.00000
     47     -11.2180      1.00000
     48     -11.0780      1.00000
     49     -10.6550      1.00000
     50     -10.5876      1.00000
     51     -10.5196      1.00000
     52     -10.2559      1.00000
     53     -10.2474      1.00000
     54     -10.1205      1.00000
     55     -10.0475      1.00000
     56     -10.0398      1.00000
     57      -9.7666      1.00000
     58      -9.7033      1.00000
     59      -9.6782      1.00000
     60      -9.6291      1.00000
     61      -9.6250      1.00000
     62      -9.5861      1.00000
     63      -9.2927      1.00000
     64      -9.2836      1.00000
     65      -9.2515      1.00000
     66      -9.0826      1.00000
     67      -8.8956      1.00000
     68      -8.8817      1.00000
     69      -8.7230      1.00000
     70      -8.5852      1.00000
     71      -8.5125      1.00000
     72      -8.3291      1.00000
     73      -8.3008      1.00000
     74      -8.2628      1.00000
     75      -8.2314      1.00000
     76      -8.1939      1.00000
     77      -8.1851      1.00000
     78      -8.1694      1.00000
     79      -8.0952      1.00000
     80      -7.6866      1.00000
     81      -7.3596      1.00000
     82      -7.3095      1.00000
     83      -7.2649      1.00000
     84      -7.1861      1.00000
     85      -7.1251      1.00000
     86      -7.0756      1.00000
     87      -6.9055      1.00000
     88      -6.8814      1.00000
     89      -6.5483      1.00000
     90      -6.4916      1.00000
     91      -6.2087      1.00000
     92      -6.0667      1.00000
     93      -5.9395      1.00000
     94      -5.7118      1.00000
     95      -5.6315      1.00000
     96      -5.4505      1.00000
     97      -5.3031      1.00000
     98      -5.2330      1.00000
     99      -5.1512      1.00000
    100      -5.1505      1.00000
    101      -4.5188      1.00000
    102      -4.4699      1.00000
    103      -4.1393      1.00000
    104      -3.8284      1.00000
    105      -3.7566      1.00000
    106      -3.6801      1.00000
    107      -1.8710      0.00000
    108      -1.8240      0.00000
    109      -1.2771      0.00000
    110      -1.0361      0.00000
    111      -1.0122      0.00000
    112      -0.7130      0.00000
    113      -0.6400      0.00000
    114      -0.5888      0.00000
    115      -0.5463      0.00000
    116      -0.2062      0.00000
    117       0.2516      0.00000
    118       0.2782      0.00000
    119       0.7708      0.00000
    120       0.9519      0.00000
    121       1.1365      0.00000
    122       1.2327      0.00000
    123       1.3248      0.00000
    124       1.4192      0.00000
    125       1.6136      0.00000
    126       1.6356      0.00000
    127       1.7260      0.00000
    128       1.8197      0.00000
    129       1.9372      0.00000
    130       2.0377      0.00000
    131       2.0669      0.00000
    132       2.2844      0.00000
    133       2.4004      0.00000
    134       2.4538      0.00000
    135       2.5564      0.00000
    136       2.6479      0.00000
    137       2.7103      0.00000
    138       2.7800      0.00000
    139       2.8487      0.00000
    140       2.8962      0.00000
    141       3.0530      0.00000
    142       3.1059      0.00000
    143       3.2094      0.00000
    144       3.2526      0.00000
    145       3.3974      0.00000
    146       3.4331      0.00000
    147       3.5054      0.00000
    148       3.5883      0.00000
    149       3.6141      0.00000
    150       3.6334      0.00000
    151       3.6556      0.00000
    152       3.7406      0.00000
    153       3.7541      0.00000
    154       3.7655      0.00000
    155       3.8068      0.00000
    156       3.9036      0.00000
    157       3.9944      0.00000
    158       4.0198      0.00000
    159       4.1935      0.00000
    160       4.2231      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2450      1.00000
      2     -21.8908      1.00000
      3     -21.8205      1.00000
      4     -21.3089      1.00000
      5     -21.2790      1.00000
      6     -20.7678      1.00000
      7     -20.7022      1.00000
      8     -20.5536      1.00000
      9     -20.0062      1.00000
     10     -19.9990      1.00000
     11     -19.6454      1.00000
     12     -19.6213      1.00000
     13     -18.9270      1.00000
     14     -18.9187      1.00000
     15     -18.5682      1.00000
     16     -18.5546      1.00000
     17     -18.3916      1.00000
     18     -17.6125      1.00000
     19     -17.5567      1.00000
     20     -17.5515      1.00000
     21     -17.5099      1.00000
     22     -17.0536      1.00000
     23     -17.0363      1.00000
     24     -16.8898      1.00000
     25     -15.9280      1.00000
     26     -15.8648      1.00000
     27     -15.5142      1.00000
     28     -15.5133      1.00000
     29     -15.2263      1.00000
     30     -14.7924      1.00000
     31     -14.7653      1.00000
     32     -14.5134      1.00000
     33     -14.4692      1.00000
     34     -14.1000      1.00000
     35     -14.0886      1.00000
     36     -13.0748      1.00000
     37     -13.0305      1.00000
     38     -12.9647      1.00000
     39     -12.9530      1.00000
     40     -12.6433      1.00000
     41     -12.6369      1.00000
     42     -12.2718      1.00000
     43     -12.2404      1.00000
     44     -11.5851      1.00000
     45     -11.5590      1.00000
     46     -11.5045      1.00000
     47     -10.9017      1.00000
     48     -10.8490      1.00000
     49     -10.6170      1.00000
     50     -10.5574      1.00000
     51     -10.4821      1.00000
     52     -10.4318      1.00000
     53     -10.4219      1.00000
     54     -10.3697      1.00000
     55     -10.2917      1.00000
     56     -10.0622      1.00000
     57      -9.8313      1.00000
     58      -9.5463      1.00000
     59      -9.4863      1.00000
     60      -9.4664      1.00000
     61      -9.3446      1.00000
     62      -9.3291      1.00000
     63      -9.3087      1.00000
     64      -9.3065      1.00000
     65      -9.2122      1.00000
     66      -9.1099      1.00000
     67      -9.0794      1.00000
     68      -9.0482      1.00000
     69      -8.8441      1.00000
     70      -8.7914      1.00000
     71      -8.7720      1.00000
     72      -8.5254      1.00000
     73      -8.4723      1.00000
     74      -8.2170      1.00000
     75      -8.1082      1.00000
     76      -8.0979      1.00000
     77      -7.8053      1.00000
     78      -7.7815      1.00000
     79      -7.7798      1.00000
     80      -7.6712      1.00000
     81      -7.6304      1.00000
     82      -7.6291      1.00000
     83      -7.4025      1.00000
     84      -7.3229      1.00000
     85      -7.2058      1.00000
     86      -6.8384      1.00000
     87      -6.8280      1.00000
     88      -6.6575      1.00000
     89      -6.5373      1.00000
     90      -6.3431      1.00000
     91      -6.3054      1.00000
     92      -6.1835      1.00000
     93      -6.1460      1.00000
     94      -5.9763      1.00000
     95      -5.5703      1.00000
     96      -5.4246      1.00000
     97      -5.2578      1.00000
     98      -5.2439      1.00000
     99      -5.1477      1.00000
    100      -4.6941      1.00000
    101      -4.6646      1.00000
    102      -4.3497      1.00000
    103      -4.3113      1.00000
    104      -3.9629      1.00000
    105      -3.8208      1.00000
    106      -3.3904      1.00000
    107      -2.2200      0.00000
    108      -1.3765      0.00000
    109      -1.2867      0.00000
    110      -1.1734      0.00000
    111      -1.0782      0.00000
    112      -0.8940      0.00000
    113      -0.7685      0.00000
    114      -0.7576      0.00000
    115      -0.2226      0.00000
    116       0.1126      0.00000
    117       0.2634      0.00000
    118       0.3454      0.00000
    119       0.7453      0.00000
    120       0.9053      0.00000
    121       0.9732      0.00000
    122       1.1013      0.00000
    123       1.2171      0.00000
    124       1.5385      0.00000
    125       1.5915      0.00000
    126       1.7220      0.00000
    127       1.8390      0.00000
    128       1.8626      0.00000
    129       1.9464      0.00000
    130       2.0315      0.00000
    131       2.1481      0.00000
    132       2.2966      0.00000
    133       2.4075      0.00000
    134       2.4694      0.00000
    135       2.4806      0.00000
    136       2.6663      0.00000
    137       2.6881      0.00000
    138       2.7498      0.00000
    139       2.7571      0.00000
    140       2.9078      0.00000
    141       3.0390      0.00000
    142       3.0974      0.00000
    143       3.1705      0.00000
    144       3.2130      0.00000
    145       3.2593      0.00000
    146       3.2828      0.00000
    147       3.3714      0.00000
    148       3.4951      0.00000
    149       3.5549      0.00000
    150       3.7140      0.00000
    151       3.7646      0.00000
    152       3.7706      0.00000
    153       3.8311      0.00000
    154       3.8991      0.00000
    155       3.9650      0.00000
    156       3.9771      0.00000
    157       4.0034      0.00000
    158       4.0395      0.00000
    159       4.0414      0.00000
    160       4.1088      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1387      1.00000
      2     -22.0444      1.00000
      3     -21.8841      1.00000
      4     -21.3320      1.00000
      5     -20.9790      1.00000
      6     -20.9409      1.00000
      7     -20.4306      1.00000
      8     -20.3885      1.00000
      9     -20.2241      1.00000
     10     -20.2029      1.00000
     11     -19.8865      1.00000
     12     -19.8194      1.00000
     13     -18.8123      1.00000
     14     -18.7418      1.00000
     15     -18.2874      1.00000
     16     -18.2345      1.00000
     17     -18.0836      1.00000
     18     -18.0639      1.00000
     19     -17.7592      1.00000
     20     -17.7173      1.00000
     21     -17.1868      1.00000
     22     -17.1683      1.00000
     23     -17.0979      1.00000
     24     -17.0620      1.00000
     25     -16.0356      1.00000
     26     -15.8206      1.00000
     27     -15.7976      1.00000
     28     -15.7629      1.00000
     29     -15.1720      1.00000
     30     -14.4890      1.00000
     31     -14.4567      1.00000
     32     -14.2162      1.00000
     33     -13.8933      1.00000
     34     -13.8884      1.00000
     35     -13.7544      1.00000
     36     -13.7344      1.00000
     37     -13.5497      1.00000
     38     -13.5015      1.00000
     39     -13.2975      1.00000
     40     -12.5621      1.00000
     41     -12.1231      1.00000
     42     -12.0646      1.00000
     43     -12.0077      1.00000
     44     -11.9496      1.00000
     45     -11.6091      1.00000
     46     -11.5866      1.00000
     47     -11.0831      1.00000
     48     -11.0507      1.00000
     49     -10.7499      1.00000
     50     -10.6623      1.00000
     51     -10.5203      1.00000
     52     -10.1468      1.00000
     53     -10.1367      1.00000
     54     -10.0945      1.00000
     55      -9.9513      1.00000
     56      -9.9457      1.00000
     57      -9.9156      1.00000
     58      -9.7359      1.00000
     59      -9.7297      1.00000
     60      -9.6994      1.00000
     61      -9.6894      1.00000
     62      -9.4255      1.00000
     63      -9.3611      1.00000
     64      -9.0822      1.00000
     65      -9.0050      1.00000
     66      -8.9732      1.00000
     67      -8.8866      1.00000
     68      -8.8096      1.00000
     69      -8.6558      1.00000
     70      -8.6335      1.00000
     71      -8.5744      1.00000
     72      -8.4769      1.00000
     73      -8.4657      1.00000
     74      -8.3965      1.00000
     75      -8.3929      1.00000
     76      -8.1821      1.00000
     77      -8.1106      1.00000
     78      -7.9757      1.00000
     79      -7.9118      1.00000
     80      -7.8455      1.00000
     81      -7.6142      1.00000
     82      -7.5292      1.00000
     83      -7.4681      1.00000
     84      -7.2656      1.00000
     85      -6.9330      1.00000
     86      -6.8571      1.00000
     87      -6.8104      1.00000
     88      -6.5704      1.00000
     89      -6.4654      1.00000
     90      -6.4195      1.00000
     91      -6.3557      1.00000
     92      -6.0486      1.00000
     93      -5.8754      1.00000
     94      -5.7516      1.00000
     95      -5.7204      1.00000
     96      -5.4740      1.00000
     97      -5.3440      1.00000
     98      -5.1790      1.00000
     99      -5.1549      1.00000
    100      -5.1538      1.00000
    101      -4.7056      1.00000
    102      -4.4408      1.00000
    103      -4.2522      1.00000
    104      -3.9938      1.00000
    105      -3.8197      1.00000
    106      -3.1566      1.00000
    107      -2.4631      0.00000
    108      -1.3784      0.00000
    109      -1.2412      0.00000
    110      -1.1465      0.00000
    111      -1.1147      0.00000
    112      -0.5652      0.00000
    113      -0.4351      0.00000
    114      -0.4308      0.00000
    115      -0.3105      0.00000
    116      -0.1912      0.00000
    117       0.0614      0.00000
    118       0.1153      0.00000
    119       0.5399      0.00000
    120       0.6837      0.00000
    121       0.8816      0.00000
    122       0.9796      0.00000
    123       1.1212      0.00000
    124       1.5055      0.00000
    125       1.6794      0.00000
    126       1.8390      0.00000
    127       1.8952      0.00000
    128       2.0860      0.00000
    129       2.1191      0.00000
    130       2.1691      0.00000
    131       2.2198      0.00000
    132       2.3294      0.00000
    133       2.3406      0.00000
    134       2.4832      0.00000
    135       2.5643      0.00000
    136       2.6880      0.00000
    137       2.8903      0.00000
    138       2.9380      0.00000
    139       2.9793      0.00000
    140       3.0052      0.00000
    141       3.0571      0.00000
    142       3.1416      0.00000
    143       3.1675      0.00000
    144       3.2578      0.00000
    145       3.3051      0.00000
    146       3.3432      0.00000
    147       3.3543      0.00000
    148       3.3893      0.00000
    149       3.4234      0.00000
    150       3.5125      0.00000
    151       3.5637      0.00000
    152       3.6255      0.00000
    153       3.6557      0.00000
    154       3.7034      0.00000
    155       3.7271      0.00000
    156       3.9337      0.00000
    157       3.9477      0.00000
    158       4.0760      0.00000
    159       4.1177      0.00000
    160       4.2270      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2449      1.00000
      2     -21.8922      1.00000
      3     -21.8192      1.00000
      4     -21.3135      1.00000
      5     -21.2750      1.00000
      6     -20.7687      1.00000
      7     -20.7003      1.00000
      8     -20.5521      1.00000
      9     -20.0202      1.00000
     10     -19.9882      1.00000
     11     -19.6478      1.00000
     12     -19.6171      1.00000
     13     -18.9409      1.00000
     14     -18.9065      1.00000
     15     -18.5816      1.00000
     16     -18.5446      1.00000
     17     -18.3899      1.00000
     18     -17.5995      1.00000
     19     -17.5687      1.00000
     20     -17.5394      1.00000
     21     -17.5067      1.00000
     22     -17.0722      1.00000
     23     -17.0257      1.00000
     24     -16.8983      1.00000
     25     -15.9436      1.00000
     26     -15.8489      1.00000
     27     -15.5309      1.00000
     28     -15.5046      1.00000
     29     -15.2075      1.00000
     30     -14.8115      1.00000
     31     -14.7596      1.00000
     32     -14.5077      1.00000
     33     -14.4662      1.00000
     34     -14.0943      1.00000
     35     -14.0912      1.00000
     36     -13.1027      1.00000
     37     -13.0275      1.00000
     38     -12.9550      1.00000
     39     -12.9480      1.00000
     40     -12.6538      1.00000
     41     -12.6258      1.00000
     42     -12.2718      1.00000
     43     -12.2449      1.00000
     44     -11.5712      1.00000
     45     -11.5520      1.00000
     46     -11.4986      1.00000
     47     -10.8757      1.00000
     48     -10.8665      1.00000
     49     -10.6769      1.00000
     50     -10.5238      1.00000
     51     -10.5177      1.00000
     52     -10.4316      1.00000
     53     -10.4141      1.00000
     54     -10.3686      1.00000
     55     -10.2862      1.00000
     56     -10.0575      1.00000
     57      -9.8303      1.00000
     58      -9.5565      1.00000
     59      -9.4830      1.00000
     60      -9.4411      1.00000
     61      -9.3539      1.00000
     62      -9.3376      1.00000
     63      -9.3063      1.00000
     64      -9.3006      1.00000
     65      -9.2041      1.00000
     66      -9.0979      1.00000
     67      -9.0672      1.00000
     68      -9.0475      1.00000
     69      -8.8467      1.00000
     70      -8.7951      1.00000
     71      -8.7759      1.00000
     72      -8.5251      1.00000
     73      -8.4931      1.00000
     74      -8.2220      1.00000
     75      -8.1277      1.00000
     76      -8.0915      1.00000
     77      -7.8050      1.00000
     78      -7.7661      1.00000
     79      -7.7382      1.00000
     80      -7.7002      1.00000
     81      -7.6345      1.00000
     82      -7.6232      1.00000
     83      -7.3881      1.00000
     84      -7.3436      1.00000
     85      -7.2245      1.00000
     86      -6.8422      1.00000
     87      -6.8199      1.00000
     88      -6.6362      1.00000
     89      -6.5281      1.00000
     90      -6.3405      1.00000
     91      -6.2711      1.00000
     92      -6.1939      1.00000
     93      -6.1309      1.00000
     94      -6.0185      1.00000
     95      -5.6325      1.00000
     96      -5.5067      1.00000
     97      -5.2966      1.00000
     98      -5.1552      1.00000
     99      -5.0379      1.00000
    100      -4.7237      1.00000
    101      -4.6845      1.00000
    102      -4.3680      1.00000
    103      -4.1829      1.00000
    104      -4.0066      1.00000
    105      -3.8192      1.00000
    106      -3.4842      1.00000
    107      -2.1648      0.00000
    108      -1.3831      0.00000
    109      -1.2358      0.00000
    110      -1.1855      0.00000
    111      -1.0143      0.00000
    112      -0.9559      0.00000
    113      -0.7976      0.00000
    114      -0.7524      0.00000
    115      -0.3690      0.00000
    116       0.2447      0.00000
    117       0.2762      0.00000
    118       0.3634      0.00000
    119       0.7112      0.00000
    120       0.8695      0.00000
    121       0.9656      0.00000
    122       1.1342      0.00000
    123       1.2475      0.00000
    124       1.4616      0.00000
    125       1.5862      0.00000
    126       1.7849      0.00000
    127       1.8471      0.00000
    128       1.8726      0.00000
    129       2.0030      0.00000
    130       2.0420      0.00000
    131       2.1828      0.00000
    132       2.2361      0.00000
    133       2.4003      0.00000
    134       2.4247      0.00000
    135       2.5098      0.00000
    136       2.6599      0.00000
    137       2.6847      0.00000
    138       2.7441      0.00000
    139       2.7839      0.00000
    140       2.8768      0.00000
    141       2.9898      0.00000
    142       3.0948      0.00000
    143       3.1584      0.00000
    144       3.2098      0.00000
    145       3.2659      0.00000
    146       3.3015      0.00000
    147       3.3416      0.00000
    148       3.4960      0.00000
    149       3.5371      0.00000
    150       3.7186      0.00000
    151       3.7396      0.00000
    152       3.7711      0.00000
    153       3.8672      0.00000
    154       3.8811      0.00000
    155       3.9079      0.00000
    156       3.9684      0.00000
    157       4.0101      0.00000
    158       4.0439      0.00000
    159       4.0478      0.00000
    160       4.0939      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3169      1.00000
      2     -21.7587      1.00000
      3     -21.5651      1.00000
      4     -21.5383      1.00000
      5     -21.2022      1.00000
      6     -21.1638      1.00000
      7     -20.9834      1.00000
      8     -20.0960      1.00000
      9     -20.0577      1.00000
     10     -19.5439      1.00000
     11     -19.5238      1.00000
     12     -19.3426      1.00000
     13     -19.0256      1.00000
     14     -18.9860      1.00000
     15     -18.9755      1.00000
     16     -18.9697      1.00000
     17     -18.2939      1.00000
     18     -18.2803      1.00000
     19     -17.9443      1.00000
     20     -16.9982      1.00000
     21     -16.9580      1.00000
     22     -16.8809      1.00000
     23     -16.8680      1.00000
     24     -16.4140      1.00000
     25     -16.3917      1.00000
     26     -15.5386      1.00000
     27     -15.5354      1.00000
     28     -15.1709      1.00000
     29     -15.1696      1.00000
     30     -15.1287      1.00000
     31     -15.0345      1.00000
     32     -14.9992      1.00000
     33     -14.6313      1.00000
     34     -14.6247      1.00000
     35     -13.6608      1.00000
     36     -13.6513      1.00000
     37     -13.1693      1.00000
     38     -12.5710      1.00000
     39     -12.5118      1.00000
     40     -12.3835      1.00000
     41     -12.3832      1.00000
     42     -12.0338      1.00000
     43     -12.0300      1.00000
     44     -11.6527      1.00000
     45     -11.6129      1.00000
     46     -11.2041      1.00000
     47     -11.1556      1.00000
     48     -10.9532      1.00000
     49     -10.9405      1.00000
     50     -10.8584      1.00000
     51     -10.8265      1.00000
     52     -10.6195      1.00000
     53     -10.1437      1.00000
     54     -10.0826      1.00000
     55     -10.0235      1.00000
     56      -9.9426      1.00000
     57      -9.6294      1.00000
     58      -9.6277      1.00000
     59      -9.6011      1.00000
     60      -9.5388      1.00000
     61      -9.5022      1.00000
     62      -9.4776      1.00000
     63      -9.2699      1.00000
     64      -9.2339      1.00000
     65      -9.2051      1.00000
     66      -9.1779      1.00000
     67      -9.0607      1.00000
     68      -9.0455      1.00000
     69      -9.0420      1.00000
     70      -8.8752      1.00000
     71      -8.8070      1.00000
     72      -8.5316      1.00000
     73      -8.5315      1.00000
     74      -8.4941      1.00000
     75      -8.0298      1.00000
     76      -7.8305      1.00000
     77      -7.7963      1.00000
     78      -7.7727      1.00000
     79      -7.7022      1.00000
     80      -7.6832      1.00000
     81      -7.4179      1.00000
     82      -7.2866      1.00000
     83      -7.2505      1.00000
     84      -7.2009      1.00000
     85      -7.0790      1.00000
     86      -7.0779      1.00000
     87      -6.9373      1.00000
     88      -6.7085      1.00000
     89      -6.6724      1.00000
     90      -6.6280      1.00000
     91      -6.5565      1.00000
     92      -6.0703      1.00000
     93      -6.0300      1.00000
     94      -5.9996      1.00000
     95      -5.9367      1.00000
     96      -5.7975      1.00000
     97      -5.1764      1.00000
     98      -4.8916      1.00000
     99      -4.7913      1.00000
    100      -4.6102      1.00000
    101      -4.5119      1.00000
    102      -4.1381      1.00000
    103      -4.0907      1.00000
    104      -3.9309      1.00000
    105      -3.9154      1.00000
    106      -3.8186      1.00000
    107      -1.7518      0.00000
    108      -1.6967      0.00000
    109      -1.4100      0.00000
    110      -1.3714      0.00000
    111      -1.2648      0.00000
    112      -1.2357      0.00000
    113      -0.6262      0.00000
    114      -0.5987      0.00000
    115      -0.1901      0.00000
    116       0.0399      0.00000
    117       0.5935      0.00000
    118       0.7432      0.00000
    119       0.8486      0.00000
    120       0.9296      0.00000
    121       1.1671      0.00000
    122       1.2163      0.00000
    123       1.2502      0.00000
    124       1.4404      0.00000
    125       1.6038      0.00000
    126       1.6530      0.00000
    127       1.7187      0.00000
    128       1.7837      0.00000
    129       1.9181      0.00000
    130       1.9391      0.00000
    131       2.1502      0.00000
    132       2.1890      0.00000
    133       2.2676      0.00000
    134       2.3255      0.00000
    135       2.5622      0.00000
    136       2.5924      0.00000
    137       2.5980      0.00000
    138       2.7686      0.00000
    139       2.7967      0.00000
    140       2.8037      0.00000
    141       2.8937      0.00000
    142       2.9203      0.00000
    143       3.0327      0.00000
    144       3.0552      0.00000
    145       3.1212      0.00000
    146       3.3110      0.00000
    147       3.3248      0.00000
    148       3.3889      0.00000
    149       3.4888      0.00000
    150       3.5869      0.00000
    151       3.6525      0.00000
    152       3.6648      0.00000
    153       3.6847      0.00000
    154       3.9099      0.00000
    155       3.9834      0.00000
    156       4.0223      0.00000
    157       4.0933      0.00000
    158       4.2546      0.00000
    159       4.2652      0.00000
    160       4.2740      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1378      1.00000
      2     -22.0457      1.00000
      3     -21.8836      1.00000
      4     -21.3329      1.00000
      5     -20.9741      1.00000
      6     -20.9450      1.00000
      7     -20.4254      1.00000
      8     -20.3938      1.00000
      9     -20.2137      1.00000
     10     -20.2120      1.00000
     11     -19.8855      1.00000
     12     -19.8218      1.00000
     13     -18.8154      1.00000
     14     -18.7448      1.00000
     15     -18.2636      1.00000
     16     -18.2497      1.00000
     17     -18.0783      1.00000
     18     -18.0717      1.00000
     19     -17.7438      1.00000
     20     -17.7283      1.00000
     21     -17.1930      1.00000
     22     -17.1698      1.00000
     23     -17.0873      1.00000
     24     -17.0661      1.00000
     25     -16.0516      1.00000
     26     -15.8063      1.00000
     27     -15.7968      1.00000
     28     -15.7759      1.00000
     29     -15.1578      1.00000
     30     -14.4836      1.00000
     31     -14.4625      1.00000
     32     -14.2028      1.00000
     33     -13.9147      1.00000
     34     -13.8848      1.00000
     35     -13.7577      1.00000
     36     -13.7371      1.00000
     37     -13.5345      1.00000
     38     -13.5088      1.00000
     39     -13.2990      1.00000
     40     -12.5743      1.00000
     41     -12.0996      1.00000
     42     -12.0756      1.00000
     43     -11.9965      1.00000
     44     -11.9489      1.00000
     45     -11.6040      1.00000
     46     -11.5965      1.00000
     47     -11.0825      1.00000
     48     -11.0598      1.00000
     49     -10.7299      1.00000
     50     -10.6627      1.00000
     51     -10.5521      1.00000
     52     -10.1382      1.00000
     53     -10.1335      1.00000
     54     -10.0989      1.00000
     55      -9.9645      1.00000
     56      -9.9238      1.00000
     57      -9.9198      1.00000
     58      -9.7490      1.00000
     59      -9.7277      1.00000
     60      -9.6960      1.00000
     61      -9.6936      1.00000
     62      -9.3973      1.00000
     63      -9.3875      1.00000
     64      -9.0656      1.00000
     65      -8.9802      1.00000
     66      -8.9800      1.00000
     67      -8.9044      1.00000
     68      -8.8104      1.00000
     69      -8.6479      1.00000
     70      -8.6326      1.00000
     71      -8.5433      1.00000
     72      -8.5001      1.00000
     73      -8.4812      1.00000
     74      -8.3931      1.00000
     75      -8.3812      1.00000
     76      -8.2073      1.00000
     77      -8.0988      1.00000
     78      -8.0053      1.00000
     79      -7.8993      1.00000
     80      -7.8413      1.00000
     81      -7.6198      1.00000
     82      -7.5320      1.00000
     83      -7.4555      1.00000
     84      -7.2615      1.00000
     85      -6.9415      1.00000
     86      -6.8680      1.00000
     87      -6.8093      1.00000
     88      -6.4768      1.00000
     89      -6.4674      1.00000
     90      -6.4086      1.00000
     91      -6.3583      1.00000
     92      -6.1830      1.00000
     93      -5.8568      1.00000
     94      -5.7368      1.00000
     95      -5.7101      1.00000
     96      -5.5199      1.00000
     97      -5.3277      1.00000
     98      -5.1714      1.00000
     99      -5.1668      1.00000
    100      -5.1330      1.00000
    101      -4.6948      1.00000
    102      -4.3490      1.00000
    103      -4.2767      1.00000
    104      -4.0261      1.00000
    105      -3.8206      1.00000
    106      -3.2329      1.00000
    107      -2.4058      0.00000
    108      -1.3450      0.00000
    109      -1.2437      0.00000
    110      -1.1540      0.00000
    111      -1.1086      0.00000
    112      -0.5843      0.00000
    113      -0.5221      0.00000
    114      -0.4341      0.00000
    115      -0.2750      0.00000
    116      -0.0728      0.00000
    117      -0.0123      0.00000
    118       0.0596      0.00000
    119       0.5838      0.00000
    120       0.7099      0.00000
    121       0.8199      0.00000
    122       0.9539      0.00000
    123       1.1945      0.00000
    124       1.5312      0.00000
    125       1.6318      0.00000
    126       1.8855      0.00000
    127       2.0244      0.00000
    128       2.0615      0.00000
    129       2.0934      0.00000
    130       2.1390      0.00000
    131       2.2280      0.00000
    132       2.2867      0.00000
    133       2.3384      0.00000
    134       2.4302      0.00000
    135       2.6110      0.00000
    136       2.7152      0.00000
    137       2.8489      0.00000
    138       2.9142      0.00000
    139       2.9449      0.00000
    140       3.0255      0.00000
    141       3.0609      0.00000
    142       3.1300      0.00000
    143       3.1760      0.00000
    144       3.2310      0.00000
    145       3.3093      0.00000
    146       3.3232      0.00000
    147       3.3623      0.00000
    148       3.3811      0.00000
    149       3.4365      0.00000
    150       3.4583      0.00000
    151       3.5666      0.00000
    152       3.6129      0.00000
    153       3.6590      0.00000
    154       3.7026      0.00000
    155       3.8709      0.00000
    156       3.9146      0.00000
    157       3.9468      0.00000
    158       3.9691      0.00000
    159       4.1806      0.00000
    160       4.2069      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2108      1.00000
      2     -22.0058      1.00000
      3     -21.6437      1.00000
      4     -21.6129      1.00000
      5     -20.9072      1.00000
      6     -20.8671      1.00000
      7     -20.5367      1.00000
      8     -20.5045      1.00000
      9     -20.4978      1.00000
     10     -19.9603      1.00000
     11     -19.4387      1.00000
     12     -19.4168      1.00000
     13     -19.2380      1.00000
     14     -19.2307      1.00000
     15     -18.3740      1.00000
     16     -18.3393      1.00000
     17     -17.8570      1.00000
     18     -17.8409      1.00000
     19     -17.6893      1.00000
     20     -17.6538      1.00000
     21     -17.3706      1.00000
     22     -17.3563      1.00000
     23     -17.2658      1.00000
     24     -16.4115      1.00000
     25     -16.3884      1.00000
     26     -15.9026      1.00000
     27     -15.3415      1.00000
     28     -15.3368      1.00000
     29     -15.0292      1.00000
     30     -15.0197      1.00000
     31     -14.7749      1.00000
     32     -14.7730      1.00000
     33     -14.2358      1.00000
     34     -14.1855      1.00000
     35     -13.3859      1.00000
     36     -13.3320      1.00000
     37     -13.1094      1.00000
     38     -13.1016      1.00000
     39     -12.9157      1.00000
     40     -12.9100      1.00000
     41     -12.5438      1.00000
     42     -12.5364      1.00000
     43     -12.1320      1.00000
     44     -11.5116      1.00000
     45     -11.4677      1.00000
     46     -11.2427      1.00000
     47     -11.2115      1.00000
     48     -11.0847      1.00000
     49     -10.7009      1.00000
     50     -10.5941      1.00000
     51     -10.5057      1.00000
     52     -10.2500      1.00000
     53     -10.2459      1.00000
     54     -10.1191      1.00000
     55     -10.0527      1.00000
     56     -10.0378      1.00000
     57      -9.7822      1.00000
     58      -9.6856      1.00000
     59      -9.6719      1.00000
     60      -9.6363      1.00000
     61      -9.6268      1.00000
     62      -9.5843      1.00000
     63      -9.2940      1.00000
     64      -9.2822      1.00000
     65      -9.2515      1.00000
     66      -9.0595      1.00000
     67      -8.8935      1.00000
     68      -8.8825      1.00000
     69      -8.7171      1.00000
     70      -8.5769      1.00000
     71      -8.5247      1.00000
     72      -8.3487      1.00000
     73      -8.3034      1.00000
     74      -8.2420      1.00000
     75      -8.2365      1.00000
     76      -8.1933      1.00000
     77      -8.1809      1.00000
     78      -8.1684      1.00000
     79      -8.1022      1.00000
     80      -7.6875      1.00000
     81      -7.4227      1.00000
     82      -7.3422      1.00000
     83      -7.2587      1.00000
     84      -7.1678      1.00000
     85      -7.1086      1.00000
     86      -7.0049      1.00000
     87      -6.9025      1.00000
     88      -6.8480      1.00000
     89      -6.5410      1.00000
     90      -6.4977      1.00000
     91      -6.2057      1.00000
     92      -6.2007      1.00000
     93      -5.8935      1.00000
     94      -5.6713      1.00000
     95      -5.6049      1.00000
     96      -5.5790      1.00000
     97      -5.2525      1.00000
     98      -5.2300      1.00000
     99      -5.1640      1.00000
    100      -5.1337      1.00000
    101      -4.5987      1.00000
    102      -4.2471      1.00000
    103      -4.0424      1.00000
    104      -3.8840      1.00000
    105      -3.8358      1.00000
    106      -3.7981      1.00000
    107      -1.8081      0.00000
    108      -1.7816      0.00000
    109      -1.2251      0.00000
    110      -1.1754      0.00000
    111      -0.9743      0.00000
    112      -0.7348      0.00000
    113      -0.6504      0.00000
    114      -0.5942      0.00000
    115      -0.5496      0.00000
    116      -0.1567      0.00000
    117       0.1756      0.00000
    118       0.2877      0.00000
    119       0.7165      0.00000
    120       0.9589      0.00000
    121       1.1710      0.00000
    122       1.2772      0.00000
    123       1.3567      0.00000
    124       1.5258      0.00000
    125       1.6177      0.00000
    126       1.6381      0.00000
    127       1.6955      0.00000
    128       1.7828      0.00000
    129       1.8767      0.00000
    130       2.0417      0.00000
    131       2.1693      0.00000
    132       2.2854      0.00000
    133       2.4213      0.00000
    134       2.4236      0.00000
    135       2.5769      0.00000
    136       2.6408      0.00000
    137       2.6963      0.00000
    138       2.7015      0.00000
    139       2.7766      0.00000
    140       2.9168      0.00000
    141       3.0628      0.00000
    142       3.0747      0.00000
    143       3.2047      0.00000
    144       3.2920      0.00000
    145       3.4068      0.00000
    146       3.4235      0.00000
    147       3.4668      0.00000
    148       3.5526      0.00000
    149       3.5923      0.00000
    150       3.6417      0.00000
    151       3.6756      0.00000
    152       3.7010      0.00000
    153       3.7574      0.00000
    154       3.7624      0.00000
    155       3.8432      0.00000
    156       3.9156      0.00000
    157       3.9170      0.00000
    158       3.9822      0.00000
    159       4.2037      0.00000
    160       4.2401      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0408   -7.2586    3.9827   -1.1309   -0.1847   17.3742    0.4907   -0.8150    0.7703   -0.4756
x    -3.1261   -0.0251   -0.0204   -0.0267    0.0913   -3.0544    0.0306   -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    0.0613    0.0190
y     0.0232   -3.2423   -0.1785    0.1690   -2.4180   -0.6651
z   204.0408    1.7473    0.2914    0.0885    0.0007    0.0706   -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    0.0985    0.0006   -0.0010   -0.0001   -0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0012   -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  -16.5810
z     0.1472    0.2352   -0.0299    0.0568   -0.0953    0.0006
 total charge-density along one line
x   212.0000  -10.0898    5.9296   -1.9398   -0.4203   19.2929   -0.6590    0.2077    0.0648   -0.1045
x    -2.7067   -0.0087    0.0022   -0.0460    0.0975   -2.3458    0.0480   -0.0343    0.0116    0.0024
x    -0.0853   -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  -10.0898    5.9296   -1.9398   -0.4203   19.2929   -0.6590    0.2077    0.0648   -0.1045
y    -2.7067   -0.0087    0.0022   -0.0460    0.0975   -2.3458    0.0480   -0.0343    0.0116    0.0024
y    -0.0853   -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 -205.3194  188.8973 -170.1608  154.0102 -140.2673  126.3344 -110.8513   94.5830  -78.9214
z    64.5691  -51.6551   40.4317  -31.3717   24.6328  -19.7063   15.7324  -12.1233    8.8474   -6.1738
z     4.2459   -2.9199    1.9341   -1.1378    0.5336   -0.1507   -0.0632    0.2158   -0.3708    0.5038
z    -0.5567    0.5166   -0.4327    0.3654   -0.3342    0.3163   -0.2845    0.2367   -0.1897    0.1565
z    -0.1346    0.1143   -0.0918    0.0712   -0.0575    0.0499   -0.0440    0.0369   -0.0294    0.0239
z    -0.0208    0.0186   -0.0159    0.0129   -0.0103    0.0084   -0.0068    0.0052   -0.0038    0.0028
z    -0.0020    0.0012   -0.0004   -0.0002    0.0004   -0.0004    0.0004   -0.0006    0.0007   -0.0006
z     0.0004   -0.0002    0.0001    0.0000    0.0000    0.0001   -0.0002    0.0003   -0.0003    0.0003
z    -0.0002    0.0002   -0.0002    0.0001   -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0000   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.938   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   0.293   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   0.109   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   0.555   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   0.109   0.000   0.205   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  -0.035   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   0.043   0.000   0.012  -0.004
  0.000   0.000   0.097   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  -0.018   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   1.784   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   2.647
 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   2.647
 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   2.628
 42        0.863   1.777   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       44.830  89.420   8.027 142.276
 


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


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


    CHARGE:  VPU time  113.59: CPU time   57.36
    FORLOC:  VPU time    1.25: CPU time    1.25
    FORNL :  VPU time  441.64: CPU time  221.75
    STRESS:  VPU time 1338.56: CPU time  673.10
    FORCOR:  VPU time    8.65: CPU time    8.65
    FORHAR:  VPU time    2.30: CPU time    2.29
    MIXING:  VPU time    0.16: CPU time    0.16
 d Force = 0.6304586E-05[ 0.515E-05, 0.746E-05]  d Energy =-0.9735486E-06 0.728E-05
 d Force = 0.4995597E+00[ 0.500E+00, 0.500E+00]  d Ewald  = 0.4209346E+01-0.371E+01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.645170 eV

  energy  without entropy=     -471.645170  energy(sigma->0) =     -471.645170
 

  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    40705.36  40721.70 -47404.82     14.15      0.00      0.00
  Hartree  40171.59  40174.86 -39424.44      2.83      0.00      0.00
  E(xc)     -779.71   -779.51   -807.24      0.17      0.00      0.00
  Local   -83170.21 -83183.59  84146.63    -11.59      0.00      0.00
  n-local   -215.75   -215.67   -203.84     -0.18      0.00      0.00
  augment     22.10     20.52     17.37     -1.37      0.00      0.00
  Kinetic   3168.43   3171.08   3581.94     -6.17      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.48     -0.46     -0.46      0.02      0.00      0.00
  in kB       -0.29     -0.28     -0.28      0.01      0.00      0.00
  external pressure =       -0.28 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
    12.348405025  0.001533707  0.000000000     0.080976314  0.046738356  0.000000000
    -6.172880926 10.694795125  0.000000000    -0.000011613  0.093496725  0.000000000
     0.000000000  0.000000000 19.974250842     0.000000000  0.000000000  0.050064456

  length of vectors
    12.348405120 12.348404823 19.974250842     0.093496723  0.093496726  0.050064456


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.365E-05 -.460E-04 -.959E+03   0.427E-05 -.273E-04 0.967E+03   -.846E-21 0.146E-23 -.795E+01   -.850E-07 0.480E-07 0.140E-02
   -.176E+02 -.305E+02 -.136E+03   0.184E+02 0.319E+02 0.138E+03   -.832E+00 -.144E+01 -.258E+01   -.153E-03 -.266E-03 -.177E-02
   0.176E+02 0.305E+02 -.136E+03   -.184E+02 -.319E+02 0.138E+03   0.832E+00 0.144E+01 -.258E+01   0.153E-03 0.266E-03 -.177E-02
   -.196E+01 0.113E+01 0.181E+02   0.197E+01 -.114E+01 -.181E+02   -.934E-02 0.539E-02 -.295E-03   -.755E-04 0.407E-04 0.226E-02
   0.578E+01 0.684E+01 0.207E+02   -.579E+01 -.688E+01 -.206E+02   0.580E-02 0.337E-01 -.159E-01   -.501E-03 0.246E-03 0.168E-02
   0.112E+02 0.504E+01 0.185E+02   -.112E+02 -.505E+01 -.185E+02   0.247E-01 0.858E-02 -.528E-01   -.561E-03 -.147E-03 0.411E-03
   0.450E+01 -.101E+01 0.164E+02   -.452E+01 0.103E+01 -.164E+02   0.202E-01 -.167E-01 -.329E-03   0.664E-03 0.597E-03 0.707E-03
   -.292E+01 -.239E+01 0.153E+02   0.294E+01 0.240E+01 -.153E+02   -.140E-01 -.150E-01 0.145E-02   0.446E-03 -.651E-03 0.631E-03
   0.605E+00 0.372E+01 0.153E+02   -.610E+00 -.374E+01 -.153E+02   0.598E-02 0.196E-01 0.145E-02   0.781E-03 -.664E-04 0.627E-03
   0.273E+01 0.181E+02 0.248E+02   -.274E+01 -.182E+02 -.248E+02   0.101E-01 0.109E+00 -.944E-02   -.213E-03 -.559E-03 0.914E-03
   0.214E+02 0.225E+02 0.393E+02   -.215E+02 -.227E+02 -.393E+02   0.118E+00 0.227E+00 -.194E-01   -.507E-03 -.832E-03 0.124E-02
   0.264E+02 -.448E+01 0.264E+02   -.267E+02 0.460E+01 -.264E+02   0.235E+00 -.117E+00 -.594E-01   -.121E-02 0.488E-03 0.100E-02
   0.915E+01 -.528E+01 0.155E+02   -.917E+01 0.529E+01 -.155E+02   0.164E-01 -.948E-02 0.626E-02   0.196E-03 -.120E-03 0.630E-03
   0.313E+01 -.339E+01 0.164E+02   -.315E+01 0.340E+01 -.164E+02   0.246E-01 -.917E-02 -.329E-03   -.187E-03 -.878E-03 0.699E-03
   -.605E+01 0.131E+02 0.198E+02   0.606E+01 -.132E+02 -.198E+02   -.504E-02 0.750E-01 -.122E-01   0.634E-03 -.398E-04 0.572E-03
   -.122E+02 0.333E+02 0.453E+02   0.123E+02 -.340E+02 -.457E+02   -.917E-01 0.675E+00 0.348E+00   0.324E-03 -.109E-02 0.813E-04
   0.263E+02 -.152E+02 0.684E+02   -.272E+02 0.157E+02 -.705E+02   0.962E+00 -.555E+00 0.208E+01   -.761E-03 0.437E-03 -.408E-02
   0.171E+02 -.207E+02 0.264E+02   -.173E+02 0.208E+02 -.264E+02   0.219E+00 -.145E+00 -.594E-01   -.103E-02 0.799E-03 0.999E-03
   0.124E+01 -.122E+02 0.185E+02   -.125E+01 0.123E+02 -.185E+02   0.491E-02 -.257E-01 -.528E-01   -.150E-03 0.558E-03 0.406E-03
   -.387E+01 0.155E+01 0.145E+02   0.388E+01 -.155E+01 -.144E+02   -.596E-02 0.272E-02 -.426E-01   0.149E-03 -.785E-03 0.365E-03
   -.181E+02 0.105E+02 0.206E+02   0.182E+02 -.105E+02 -.205E+02   -.648E-01 0.374E-01 -.127E+00   0.362E-03 -.205E-03 0.122E-02
   -.350E+02 -.609E+01 0.453E+02   0.356E+02 0.635E+01 -.457E+02   -.630E+00 -.258E+00 0.348E+00   0.111E-02 0.265E-03 0.845E-04
   -.882E+01 -.298E+02 0.393E+02   0.896E+01 0.300E+02 -.393E+02   -.138E+00 -.216E+00 -.194E-01   0.470E-03 0.850E-03 0.124E-02
   -.304E+01 -.843E+01 0.207E+02   0.306E+01 0.845E+01 -.206E+02   -.263E-01 -.219E-01 -.159E-01   -.462E-03 0.309E-03 0.168E-02
   0.127E+01 -.734E+00 0.152E+02   -.127E+01 0.733E+00 -.152E+02   -.176E-02 0.102E-02 -.340E-01   -.168E-03 0.990E-04 0.151E-02
   -.328E+01 0.258E+01 0.145E+02   0.328E+01 -.258E+01 -.144E+02   -.534E-02 0.380E-02 -.426E-01   0.756E-03 0.268E-03 0.370E-03
   -.144E+02 -.133E+01 0.198E+02   0.145E+02 0.136E+01 -.198E+02   -.675E-01 -.331E-01 -.122E-01   0.353E-03 -.530E-03 0.580E-03
   -.143E+02 -.114E+02 0.248E+02   0.144E+02 0.115E+02 -.248E+02   -.892E-01 -.632E-01 -.944E-02   0.379E-03 0.459E-03 0.917E-03
   0.304E+01 0.843E+01 0.207E+02   -.306E+01 -.845E+01 -.206E+02   0.263E-01 0.219E-01 -.159E-01   0.462E-03 -.309E-03 0.168E-02
   0.143E+02 0.114E+02 0.248E+02   -.144E+02 -.115E+02 -.248E+02   0.892E-01 0.632E-01 -.944E-02   -.379E-03 -.459E-03 0.917E-03
   0.144E+02 0.133E+01 0.198E+02   -.145E+02 -.136E+01 -.198E+02   0.675E-01 0.331E-01 -.122E-01   -.353E-03 0.530E-03 0.580E-03
   0.328E+01 -.258E+01 0.145E+02   -.328E+01 0.258E+01 -.144E+02   0.534E-02 -.380E-02 -.426E-01   -.756E-03 -.268E-03 0.370E-03
   -.127E+01 0.734E+00 0.152E+02   0.127E+01 -.733E+00 -.152E+02   0.176E-02 -.102E-02 -.340E-01   0.168E-03 -.990E-04 0.151E-02
   -.124E+01 0.122E+02 0.185E+02   0.125E+01 -.123E+02 -.185E+02   -.491E-02 0.257E-01 -.528E-01   0.150E-03 -.558E-03 0.405E-03
   0.882E+01 0.298E+02 0.393E+02   -.896E+01 -.300E+02 -.393E+02   0.138E+00 0.216E+00 -.194E-01   -.470E-03 -.850E-03 0.124E-02
   0.350E+02 0.609E+01 0.453E+02   -.356E+02 -.635E+01 -.457E+02   0.630E+00 0.258E+00 0.348E+00   -.111E-02 -.265E-03 0.845E-04
   0.181E+02 -.105E+02 0.206E+02   -.182E+02 0.105E+02 -.205E+02   0.648E-01 -.374E-01 -.127E+00   -.362E-03 0.205E-03 0.122E-02
   0.387E+01 -.155E+01 0.145E+02   -.388E+01 0.155E+01 -.144E+02   0.596E-02 -.272E-02 -.426E-01   -.149E-03 0.785E-03 0.365E-03
   -.313E+01 0.339E+01 0.164E+02   0.315E+01 -.340E+01 -.164E+02   -.246E-01 0.917E-02 -.329E-03   0.187E-03 0.878E-03 0.699E-03
   -.171E+02 0.207E+02 0.264E+02   0.173E+02 -.208E+02 -.264E+02   -.219E+00 0.145E+00 -.594E-01   0.103E-02 -.799E-03 0.999E-03
   -.263E+02 0.152E+02 0.684E+02   0.272E+02 -.157E+02 -.705E+02   -.962E+00 0.555E+00 0.208E+01   0.761E-03 -.437E-03 -.408E-02
   0.122E+02 -.333E+02 0.453E+02   -.123E+02 0.340E+02 -.457E+02   0.917E-01 -.675E+00 0.348E+00   -.324E-03 0.109E-02 0.813E-04
   0.605E+01 -.131E+02 0.198E+02   -.606E+01 0.132E+02 -.198E+02   0.504E-02 -.750E-01 -.122E-01   -.634E-03 0.398E-04 0.572E-03
   -.605E+00 -.372E+01 0.153E+02   0.610E+00 0.374E+01 -.153E+02   -.598E-02 -.196E-01 0.145E-02   -.781E-03 0.664E-04 0.627E-03
   -.915E+01 0.528E+01 0.155E+02   0.917E+01 -.529E+01 -.155E+02   -.164E-01 0.948E-02 0.626E-02   -.196E-03 0.120E-03 0.630E-03
   -.264E+02 0.448E+01 0.264E+02   0.267E+02 -.460E+01 -.264E+02   -.235E+00 0.117E+00 -.594E-01   0.121E-02 -.488E-03 0.100E-02
   -.214E+02 -.225E+02 0.393E+02   0.215E+02 0.227E+02 -.393E+02   -.118E+00 -.227E+00 -.194E-01   0.507E-03 0.832E-03 0.124E-02
   -.273E+01 -.181E+02 0.248E+02   0.274E+01 0.182E+02 -.248E+02   -.101E-01 -.109E+00 -.944E-02   0.213E-03 0.559E-03 0.914E-03
   0.196E+01 -.113E+01 0.181E+02   -.197E+01 0.114E+01 -.181E+02   0.934E-02 -.539E-02 -.295E-03   0.755E-04 -.406E-04 0.226E-02
   0.292E+01 0.239E+01 0.153E+02   -.294E+01 -.240E+01 -.153E+02   0.140E-01 0.150E-01 0.145E-02   -.446E-03 0.651E-03 0.631E-03
   -.450E+01 0.101E+01 0.164E+02   0.452E+01 -.103E+01 -.164E+02   -.202E-01 0.167E-01 -.329E-03   -.664E-03 -.597E-03 0.707E-03
   -.112E+02 -.504E+01 0.185E+02   0.112E+02 0.505E+01 -.185E+02   -.247E-01 -.858E-02 -.528E-01   0.561E-03 0.147E-03 0.411E-03
   -.578E+01 -.684E+01 0.207E+02   0.579E+01 0.688E+01 -.206E+02   -.580E-02 -.337E-01 -.159E-01   0.501E-03 -.246E-03 0.168E-02
 -----------------------------------------------------------------------------------------------
   -.183E-02 0.313E-03 0.869E+01   0.959E-13 -.941E-13 -.600E-12   -.101E-15 0.104E-15 -.872E+01   -.121E-06 0.692E-07 0.313E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85301      6.06105     12.32536         0.000000      0.000000     -0.029522
      2.26221      6.76980     13.64151         0.004900      0.008487      0.012625
      1.44381      5.35230     13.64151        -0.004900     -0.008487      0.012625
      0.00054     -0.00031      9.93397        -0.000562      0.000325      0.000477
     11.11308      2.13934      9.93646        -0.001674      0.001603      0.000217
      9.87748      4.27901      9.95154         0.000085     -0.001495      0.000623
      8.64397      6.41842      9.95148         0.002084      0.000716      0.001407
     -4.93673      8.55592      9.94537         0.001545     -0.001078     -0.000919
      2.47039     -0.00110      9.94537         0.001706     -0.000799     -0.000919
      1.23479      2.13629      9.95099         0.000873     -0.002801     -0.001703
     -0.00397      4.27512      9.98232         0.002401      0.000495     -0.001656
     -1.23848      6.41626      9.98877        -0.000988      0.002369     -0.001334
     -2.46733      8.55540      9.95975        -0.002672      0.001543      0.000738
      4.93900      0.00122      9.95148         0.000422     -0.002163      0.001407
      3.70508      2.13662      9.96014         0.002180      0.000948     -0.001156
      2.47085      4.26343     10.02699        -0.000931     -0.000842      0.003954
      1.22852      6.42160     10.09949         0.000970     -0.000560      0.006716
     -0.00036      8.56075      9.98877        -0.002546     -0.000329     -0.001334
      7.40854      0.00268      9.95154         0.001337      0.000673      0.000623
      6.17386      2.14010      9.95205         0.001345      0.000011     -0.000748
      4.94069      4.27838      9.98263        -0.002645      0.001527     -0.000319
      3.71871      6.42479     10.02699         0.000264      0.001228      0.003954
      2.47118      8.56221      9.98232         0.000772     -0.002327     -0.001656
      9.87935      0.00245      9.93646        -0.002225      0.000648      0.000217
      8.64337      2.14064      9.94057        -0.000623      0.000360     -0.002845
      7.40908      4.27956      9.95205         0.000664     -0.001170     -0.000748
      6.17770      6.41933      9.96014         0.000269     -0.002361     -0.001156
      4.94284      8.55883      9.95099         0.002863      0.000644     -0.001703
     -0.00045      1.42485      9.93646         0.002225     -0.000648      0.000217
     -1.23682      3.56327      9.95099        -0.002863     -0.000644     -0.001703
     -2.47168      5.70277      9.96014        -0.000269      0.002361     -0.001156
     -3.70306      7.84254      9.95205        -0.000664      0.001170     -0.000748
     -4.93735      9.98146      9.94057         0.000623     -0.000360     -0.002845
      2.47036      1.42462      9.95154        -0.001337     -0.000673      0.000623
      1.23484      3.55989      9.98232        -0.000772      0.002327     -0.001656
     -0.01269      5.69731     10.02699        -0.000264     -0.001228      0.003954
     -1.23467      7.84372      9.98263         0.002645     -0.001527     -0.000319
     -2.46784      9.98200      9.95205        -0.001345     -0.000011     -0.000748
      4.93990      1.42608      9.95148        -0.000422      0.002163      0.001407
      3.70638      3.56135      9.98877         0.002546      0.000329     -0.001334
      2.47750      5.70050     10.09949        -0.000970      0.000560      0.006716
      1.23516      7.85866     10.02699         0.000931      0.000842      0.003954
      0.00094      9.98548      9.96014        -0.002180     -0.000948     -0.001156
      7.40851      1.42840      9.94537        -0.001706      0.000799     -0.000919
      6.17335      3.56670      9.95975         0.002672     -0.001543      0.000738
      4.94450      5.70583      9.98877         0.000988     -0.002369     -0.001334
      3.70999      7.84698      9.98232        -0.002401     -0.000495     -0.001656
      2.47123      9.98581      9.95099        -0.000873      0.002801     -0.001703
      9.87836      1.42762      9.93397         0.000562     -0.000325      0.000477
      8.64275      3.56618      9.94537        -0.001545      0.001078     -0.000919
      7.41046      5.70521      9.95148        -0.002084     -0.000716      0.001407
      6.17695      7.84462      9.95154        -0.000085      0.001495      0.000623
      4.94135      9.98429      9.93646         0.001674     -0.001603      0.000217
 -----------------------------------------------------------------------------------
    total drift:                               -0.001830      0.000313      0.002900


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




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


    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  189.40: CPU time   94.80
     LOOP+:  VPU time 5385.87: CPU time 2773.08


----------------------------------------- Iteration   25(   1)  ---------------------------------------


    POTLOK:  VPU time    9.20: CPU time    9.12
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1822.22: CPU time  937.34
 BZINTS: Fermi energy: -3.147006;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  114.71: CPU time   57.86
    MIXING:  VPU time    0.14: CPU time    0.14
    ------------------------------------------
      LOOP:  VPU time 1946.69: CPU time 1004.84

 eigenvalue-minimisations  :  6032
 total energy-change (2. order) :-0.4716452E+03  (-0.6376700E-03)
 number of electron  212.0000064 magnetization    0.0000000
 augmentation part     7.9584159 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.22355E-02    rms(broyden)= 0.22349E-02
  rms(prec ) = 0.25016E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34013.83752425
  -1/2 Hartree   DENC   =    -40914.83606981
  -V(xc)+E(xc)   XCENC  =       726.56209867
  PAW double counting   =      4091.88564228    -4130.25418225
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2464.28003280
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64516604 eV

  energy without entropy =     -471.64516604  energy(sigma->0) =     -471.64516604


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




----------------------------------------- Iteration   25(   2)  ---------------------------------------


    POTLOK:  VPU time    9.14: CPU time    9.14
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1515.98: CPU time  783.00
 BZINTS: Fermi energy: -3.147578;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1525.49: CPU time  792.51

 eigenvalue-minimisations  :  4640
 total energy-change (2. order) : 0.1386499E-04  (-0.1186130E-04)
 number of electron  212.0000064 magnetization    0.0000000
 augmentation part     7.9584159 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34013.83752425
  -1/2 Hartree   DENC   =    -40914.55570971
  -V(xc)+E(xc)   XCENC  =       726.55419718
  PAW double counting   =      4091.62181013    -4129.98902659
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2464.55380104
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64515218 eV

  energy without entropy =     -471.64515218  energy(sigma->0) =     -471.64515218


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




 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 -39.9751       3 -39.9751       4 -58.2435       5 -58.2480
       6 -58.2550       7 -58.2460       8 -58.2439       9 -58.2439      10 -58.2600
      11 -58.3149      12 -58.2912      13 -58.2493      14 -58.2460      15 -58.2566
      16 -58.4362      17 -58.7283      18 -58.2912      19 -58.2550      20 -58.2493
      21 -58.2762      22 -58.4362      23 -58.3149      24 -58.2481      25 -58.2431
      26 -58.2493      27 -58.2566      28 -58.2601      29 -58.2479      30 -58.2599
      31 -58.2565      32 -58.2493      33 -58.2430      34 -58.2549      35 -58.3148
      36 -58.4361      37 -58.2761      38 -58.2493      39 -58.2458      40 -58.2911
      41 -58.7282      42 -58.4361      43 -58.2565      44 -58.2438      45 -58.2491
      46 -58.2911      47 -58.3148      48 -58.2600      49 -58.2434      50 -58.2438
      51 -58.2458      52 -58.2549      53 -58.2480
 
 
 
 E-fermi :  -3.1476     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     -22.3517      1.00000
      2     -21.5311      1.00000
      3     -21.4026      1.00000
      4     -21.4021      1.00000
      5     -21.3705      1.00000
      6     -21.3617      1.00000
      7     -21.3542      1.00000
      8     -19.6411      1.00000
      9     -19.5683      1.00000
     10     -19.5609      1.00000
     11     -19.5549      1.00000
     12     -19.5363      1.00000
     13     -19.5337      1.00000
     14     -18.7240      1.00000
     15     -18.6756      1.00000
     16     -18.6681      1.00000
     17     -18.6546      1.00000
     18     -18.6398      1.00000
     19     -18.6383      1.00000
     20     -16.5825      1.00000
     21     -16.5232      1.00000
     22     -16.5209      1.00000
     23     -16.5085      1.00000
     24     -16.4840      1.00000
     25     -16.4821      1.00000
     26     -15.5545      1.00000
     27     -15.5226      1.00000
     28     -15.5219      1.00000
     29     -15.4958      1.00000
     30     -15.4908      1.00000
     31     -15.4857      1.00000
     32     -14.2025      1.00000
     33     -14.1768      1.00000
     34     -14.1640      1.00000
     35     -14.1623      1.00000
     36     -14.1565      1.00000
     37     -14.1454      1.00000
     38     -11.8796      1.00000
     39     -11.8055      1.00000
     40     -11.7898      1.00000
     41     -11.7893      1.00000
     42     -11.7860      1.00000
     43     -11.7803      1.00000
     44     -11.7010      1.00000
     45     -11.6954      1.00000
     46     -11.6687      1.00000
     47     -11.6546      1.00000
     48     -11.6544      1.00000
     49     -11.6473      1.00000
     50     -10.6661      1.00000
     51     -10.3257      1.00000
     52     -10.3178      1.00000
     53     -10.3020      1.00000
     54     -10.3008      1.00000
     55     -10.2878      1.00000
     56     -10.2750      1.00000
     57      -9.9190      1.00000
     58      -9.3691      1.00000
     59      -9.3564      1.00000
     60      -9.2971      1.00000
     61      -9.2892      1.00000
     62      -9.2822      1.00000
     63      -9.0884      1.00000
     64      -9.0518      1.00000
     65      -9.0467      1.00000
     66      -9.0239      1.00000
     67      -9.0047      1.00000
     68      -8.9994      1.00000
     69      -8.9976      1.00000
     70      -8.9921      1.00000
     71      -8.9896      1.00000
     72      -8.9700      1.00000
     73      -8.9625      1.00000
     74      -8.9520      1.00000
     75      -8.4837      1.00000
     76      -7.5159      1.00000
     77      -7.4085      1.00000
     78      -7.4082      1.00000
     79      -7.3946      1.00000
     80      -7.3811      1.00000
     81      -7.3617      1.00000
     82      -7.3392      1.00000
     83      -7.3092      1.00000
     84      -7.2638      1.00000
     85      -7.2039      1.00000
     86      -7.1774      1.00000
     87      -7.1773      1.00000
     88      -7.0798      1.00000
     89      -6.5039      1.00000
     90      -6.4583      1.00000
     91      -6.3520      1.00000
     92      -6.2918      1.00000
     93      -6.2861      1.00000
     94      -6.2847      1.00000
     95      -5.8951      1.00000
     96      -5.8833      1.00000
     97      -5.0388      1.00000
     98      -4.9345      1.00000
     99      -4.5340      1.00000
    100      -4.3396      1.00000
    101      -4.3169      1.00000
    102      -4.3155      1.00000
    103      -4.1167      1.00000
    104      -3.9121      1.00000
    105      -3.9009      1.00000
    106      -3.8241      1.00000
    107      -1.6811      0.00000
    108      -1.6676      0.00000
    109      -1.5361      0.00000
    110      -1.5342      0.00000
    111      -1.5233      0.00000
    112      -1.5090      0.00000
    113      -0.5908      0.00000
    114       0.1332      0.00000
    115       0.2067      0.00000
    116       0.3250      0.00000
    117       0.3260      0.00000
    118       0.3340      0.00000
    119       0.4931      0.00000
    120       0.6107      0.00000
    121       1.2617      0.00000
    122       1.2909      0.00000
    123       1.5429      0.00000
    124       1.7537      0.00000
    125       1.8181      0.00000
    126       1.8218      0.00000
    127       1.8273      0.00000
    128       1.9471      0.00000
    129       1.9938      0.00000
    130       2.0306      0.00000
    131       2.0448      0.00000
    132       2.0498      0.00000
    133       2.0573      0.00000
    134       2.0668      0.00000
    135       2.3179      0.00000
    136       2.3300      0.00000
    137       2.6509      0.00000
    138       2.6598      0.00000
    139       2.6915      0.00000
    140       2.7367      0.00000
    141       2.8891      0.00000
    142       2.9928      0.00000
    143       3.0132      0.00000
    144       3.0339      0.00000
    145       3.0354      0.00000
    146       3.0379      0.00000
    147       3.0885      0.00000
    148       3.2512      0.00000
    149       3.4390      0.00000
    150       3.5601      0.00000
    151       3.7815      0.00000
    152       3.9502      0.00000
    153       3.9620      0.00000
    154       3.9681      0.00000
    155       3.9690      0.00000
    156       4.0109      0.00000
    157       4.1876      0.00000
    158       4.2693      0.00000
    159       4.2943      0.00000
    160       4.2956      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3151      1.00000
      2     -21.7566      1.00000
      3     -21.5659      1.00000
      4     -21.5336      1.00000
      5     -21.2032      1.00000
      6     -21.1587      1.00000
      7     -20.9829      1.00000
      8     -20.0973      1.00000
      9     -20.0536      1.00000
     10     -19.5420      1.00000
     11     -19.5177      1.00000
     12     -19.3451      1.00000
     13     -19.0203      1.00000
     14     -18.9859      1.00000
     15     -18.9777      1.00000
     16     -18.9653      1.00000
     17     -18.2935      1.00000
     18     -18.2745      1.00000
     19     -17.9484      1.00000
     20     -17.0060      1.00000
     21     -16.9564      1.00000
     22     -16.8752      1.00000
     23     -16.8658      1.00000
     24     -16.4017      1.00000
     25     -16.3870      1.00000
     26     -15.5478      1.00000
     27     -15.5322      1.00000
     28     -15.1940      1.00000
     29     -15.1657      1.00000
     30     -15.1112      1.00000
     31     -15.0243      1.00000
     32     -14.9996      1.00000
     33     -14.6327      1.00000
     34     -14.6210      1.00000
     35     -13.6640      1.00000
     36     -13.6488      1.00000
     37     -13.1665      1.00000
     38     -12.5480      1.00000
     39     -12.5152      1.00000
     40     -12.3872      1.00000
     41     -12.3743      1.00000
     42     -12.0542      1.00000
     43     -12.0316      1.00000
     44     -11.6554      1.00000
     45     -11.6137      1.00000
     46     -11.1775      1.00000
     47     -11.1545      1.00000
     48     -10.9611      1.00000
     49     -10.9375      1.00000
     50     -10.8697      1.00000
     51     -10.8339      1.00000
     52     -10.5960      1.00000
     53     -10.0898      1.00000
     54     -10.0854      1.00000
     55     -10.0420      1.00000
     56      -9.9664      1.00000
     57      -9.6507      1.00000
     58      -9.6263      1.00000
     59      -9.5885      1.00000
     60      -9.5268      1.00000
     61      -9.5080      1.00000
     62      -9.4763      1.00000
     63      -9.2605      1.00000
     64      -9.2383      1.00000
     65      -9.2176      1.00000
     66      -9.1633      1.00000
     67      -9.0655      1.00000
     68      -9.0439      1.00000
     69      -9.0380      1.00000
     70      -8.8792      1.00000
     71      -8.8034      1.00000
     72      -8.5720      1.00000
     73      -8.5201      1.00000
     74      -8.4510      1.00000
     75      -8.0331      1.00000
     76      -7.8071      1.00000
     77      -7.8041      1.00000
     78      -7.7897      1.00000
     79      -7.6976      1.00000
     80      -7.6883      1.00000
     81      -7.3679      1.00000
     82      -7.2708      1.00000
     83      -7.2624      1.00000
     84      -7.2155      1.00000
     85      -7.1704      1.00000
     86      -7.0071      1.00000
     87      -6.9451      1.00000
     88      -6.7427      1.00000
     89      -6.6694      1.00000
     90      -6.5927      1.00000
     91      -6.5572      1.00000
     92      -6.0484      1.00000
     93      -6.0441      1.00000
     94      -6.0194      1.00000
     95      -5.9569      1.00000
     96      -5.7341      1.00000
     97      -5.1491      1.00000
     98      -4.9866      1.00000
     99      -4.7155      1.00000
    100      -4.6094      1.00000
    101      -4.4378      1.00000
    102      -4.3725      1.00000
    103      -4.1208      1.00000
    104      -3.8677      1.00000
    105      -3.8253      1.00000
    106      -3.7896      1.00000
    107      -1.7848      0.00000
    108      -1.7382      0.00000
    109      -1.3944      0.00000
    110      -1.3455      0.00000
    111      -1.2647      0.00000
    112      -1.2257      0.00000
    113      -0.7469      0.00000
    114      -0.3814      0.00000
    115      -0.2203      0.00000
    116      -0.0213      0.00000
    117       0.5983      0.00000
    118       0.7415      0.00000
    119       0.7651      0.00000
    120       1.0505      0.00000
    121       1.1413      0.00000
    122       1.2520      0.00000
    123       1.2816      0.00000
    124       1.4260      0.00000
    125       1.4931      0.00000
    126       1.6034      0.00000
    127       1.7453      0.00000
    128       1.8407      0.00000
    129       1.8934      0.00000
    130       1.9628      0.00000
    131       2.0998      0.00000
    132       2.2566      0.00000
    133       2.2654      0.00000
    134       2.3252      0.00000
    135       2.5024      0.00000
    136       2.5880      0.00000
    137       2.6528      0.00000
    138       2.7824      0.00000
    139       2.7939      0.00000
    140       2.8125      0.00000
    141       2.8710      0.00000
    142       2.8856      0.00000
    143       2.9416      0.00000
    144       3.1195      0.00000
    145       3.2964      0.00000
    146       3.3085      0.00000
    147       3.3426      0.00000
    148       3.3679      0.00000
    149       3.4780      0.00000
    150       3.5715      0.00000
    151       3.6233      0.00000
    152       3.6821      0.00000
    153       3.7165      0.00000
    154       3.9245      0.00000
    155       3.9386      0.00000
    156       3.9950      0.00000
    157       4.0855      0.00000
    158       4.2150      0.00000
    159       4.2617      0.00000
    160       4.3049      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2093      1.00000
      2     -22.0034      1.00000
      3     -21.6445      1.00000
      4     -21.6079      1.00000
      5     -20.9084      1.00000
      6     -20.8625      1.00000
      7     -20.5412      1.00000
      8     -20.5023      1.00000
      9     -20.4919      1.00000
     10     -19.9595      1.00000
     11     -19.4381      1.00000
     12     -19.4114      1.00000
     13     -19.2377      1.00000
     14     -19.2234      1.00000
     15     -18.3801      1.00000
     16     -18.3363      1.00000
     17     -17.8563      1.00000
     18     -17.8356      1.00000
     19     -17.6942      1.00000
     20     -17.6519      1.00000
     21     -17.3685      1.00000
     22     -17.3528      1.00000
     23     -17.2712      1.00000
     24     -16.3981      1.00000
     25     -16.3833      1.00000
     26     -15.8927      1.00000
     27     -15.3487      1.00000
     28     -15.3336      1.00000
     29     -15.0311      1.00000
     30     -15.0174      1.00000
     31     -14.7965      1.00000
     32     -14.7720      1.00000
     33     -14.2187      1.00000
     34     -14.1869      1.00000
     35     -13.3680      1.00000
     36     -13.3346      1.00000
     37     -13.1167      1.00000
     38     -13.0993      1.00000
     39     -12.9122      1.00000
     40     -12.8989      1.00000
     41     -12.5537      1.00000
     42     -12.5359      1.00000
     43     -12.1303      1.00000
     44     -11.5179      1.00000
     45     -11.4706      1.00000
     46     -11.2499      1.00000
     47     -11.2165      1.00000
     48     -11.0768      1.00000
     49     -10.6536      1.00000
     50     -10.5865      1.00000
     51     -10.5180      1.00000
     52     -10.2546      1.00000
     53     -10.2460      1.00000
     54     -10.1191      1.00000
     55     -10.0463      1.00000
     56     -10.0387      1.00000
     57      -9.7650      1.00000
     58      -9.7021      1.00000
     59      -9.6768      1.00000
     60      -9.6278      1.00000
     61      -9.6238      1.00000
     62      -9.5847      1.00000
     63      -9.2914      1.00000
     64      -9.2824      1.00000
     65      -9.2502      1.00000
     66      -9.0806      1.00000
     67      -8.8944      1.00000
     68      -8.8802      1.00000
     69      -8.7217      1.00000
     70      -8.5836      1.00000
     71      -8.5112      1.00000
     72      -8.3279      1.00000
     73      -8.2996      1.00000
     74      -8.2617      1.00000
     75      -8.2302      1.00000
     76      -8.1927      1.00000
     77      -8.1841      1.00000
     78      -8.1681      1.00000
     79      -8.0927      1.00000
     80      -7.6853      1.00000
     81      -7.3600      1.00000
     82      -7.3087      1.00000
     83      -7.2641      1.00000
     84      -7.1853      1.00000
     85      -7.1245      1.00000
     86      -7.0745      1.00000
     87      -6.9044      1.00000
     88      -6.8804      1.00000
     89      -6.5472      1.00000
     90      -6.4908      1.00000
     91      -6.2077      1.00000
     92      -6.0658      1.00000
     93      -5.9386      1.00000
     94      -5.7109      1.00000
     95      -5.6305      1.00000
     96      -5.4498      1.00000
     97      -5.3023      1.00000
     98      -5.2321      1.00000
     99      -5.1503      1.00000
    100      -5.1495      1.00000
    101      -4.5187      1.00000
    102      -4.4702      1.00000
    103      -4.1393      1.00000
    104      -3.8282      1.00000
    105      -3.7566      1.00000
    106      -3.6796      1.00000
    107      -1.8706      0.00000
    108      -1.8235      0.00000
    109      -1.2773      0.00000
    110      -1.0357      0.00000
    111      -1.0120      0.00000
    112      -0.7130      0.00000
    113      -0.6397      0.00000
    114      -0.5886      0.00000
    115      -0.5460      0.00000
    116      -0.2076      0.00000
    117       0.2516      0.00000
    118       0.2784      0.00000
    119       0.7720      0.00000
    120       0.9528      0.00000
    121       1.1369      0.00000
    122       1.2332      0.00000
    123       1.3255      0.00000
    124       1.4201      0.00000
    125       1.6146      0.00000
    126       1.6359      0.00000
    127       1.7281      0.00000
    128       1.8186      0.00000
    129       1.9385      0.00000
    130       2.0397      0.00000
    131       2.0659      0.00000
    132       2.2822      0.00000
    133       2.4008      0.00000
    134       2.4558      0.00000
    135       2.5576      0.00000
    136       2.6488      0.00000
    137       2.7074      0.00000
    138       2.7779      0.00000
    139       2.8501      0.00000
    140       2.8965      0.00000
    141       3.0539      0.00000
    142       3.1071      0.00000
    143       3.2107      0.00000
    144       3.2535      0.00000
    145       3.3983      0.00000
    146       3.4337      0.00000
    147       3.5067      0.00000
    148       3.5887      0.00000
    149       3.6144      0.00000
    150       3.6338      0.00000
    151       3.6556      0.00000
    152       3.7401      0.00000
    153       3.7525      0.00000
    154       3.7643      0.00000
    155       3.8084      0.00000
    156       3.9041      0.00000
    157       3.9951      0.00000
    158       4.0207      0.00000
    159       4.1941      0.00000
    160       4.2219      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2432      1.00000
      2     -21.8890      1.00000
      3     -21.8186      1.00000
      4     -21.3071      1.00000
      5     -21.2772      1.00000
      6     -20.7662      1.00000
      7     -20.7003      1.00000
      8     -20.5519      1.00000
      9     -20.0043      1.00000
     10     -19.9975      1.00000
     11     -19.6437      1.00000
     12     -19.6196      1.00000
     13     -18.9250      1.00000
     14     -18.9174      1.00000
     15     -18.5664      1.00000
     16     -18.5532      1.00000
     17     -18.3900      1.00000
     18     -17.6111      1.00000
     19     -17.5553      1.00000
     20     -17.5500      1.00000
     21     -17.5082      1.00000
     22     -17.0520      1.00000
     23     -17.0350      1.00000
     24     -16.8885      1.00000
     25     -15.9268      1.00000
     26     -15.8630      1.00000
     27     -15.5129      1.00000
     28     -15.5115      1.00000
     29     -15.2248      1.00000
     30     -14.7908      1.00000
     31     -14.7640      1.00000
     32     -14.5122      1.00000
     33     -14.4677      1.00000
     34     -14.0987      1.00000
     35     -14.0869      1.00000
     36     -13.0737      1.00000
     37     -13.0289      1.00000
     38     -12.9633      1.00000
     39     -12.9516      1.00000
     40     -12.6417      1.00000
     41     -12.6359      1.00000
     42     -12.2704      1.00000
     43     -12.2387      1.00000
     44     -11.5838      1.00000
     45     -11.5578      1.00000
     46     -11.5029      1.00000
     47     -10.9004      1.00000
     48     -10.8474      1.00000
     49     -10.6156      1.00000
     50     -10.5562      1.00000
     51     -10.4807      1.00000
     52     -10.4303      1.00000
     53     -10.4206      1.00000
     54     -10.3687      1.00000
     55     -10.2905      1.00000
     56     -10.0607      1.00000
     57      -9.8298      1.00000
     58      -9.5452      1.00000
     59      -9.4849      1.00000
     60      -9.4647      1.00000
     61      -9.3434      1.00000
     62      -9.3277      1.00000
     63      -9.3073      1.00000
     64      -9.3053      1.00000
     65      -9.2109      1.00000
     66      -9.1085      1.00000
     67      -9.0786      1.00000
     68      -9.0468      1.00000
     69      -8.8422      1.00000
     70      -8.7904      1.00000
     71      -8.7704      1.00000
     72      -8.5240      1.00000
     73      -8.4708      1.00000
     74      -8.2149      1.00000
     75      -8.1069      1.00000
     76      -8.0965      1.00000
     77      -7.8044      1.00000
     78      -7.7810      1.00000
     79      -7.7784      1.00000
     80      -7.6698      1.00000
     81      -7.6291      1.00000
     82      -7.6281      1.00000
     83      -7.4021      1.00000
     84      -7.3218      1.00000
     85      -7.2065      1.00000
     86      -6.8375      1.00000
     87      -6.8268      1.00000
     88      -6.6565      1.00000
     89      -6.5361      1.00000
     90      -6.3423      1.00000
     91      -6.3042      1.00000
     92      -6.1827      1.00000
     93      -6.1449      1.00000
     94      -5.9754      1.00000
     95      -5.5694      1.00000
     96      -5.4237      1.00000
     97      -5.2570      1.00000
     98      -5.2431      1.00000
     99      -5.1466      1.00000
    100      -4.6933      1.00000
    101      -4.6643      1.00000
    102      -4.3498      1.00000
    103      -4.3110      1.00000
    104      -3.9633      1.00000
    105      -3.8206      1.00000
    106      -3.3900      1.00000
    107      -2.2195      0.00000
    108      -1.3763      0.00000
    109      -1.2865      0.00000
    110      -1.1729      0.00000
    111      -1.0781      0.00000
    112      -0.8938      0.00000
    113      -0.7681      0.00000
    114      -0.7575      0.00000
    115      -0.2244      0.00000
    116       0.1127      0.00000
    117       0.2639      0.00000
    118       0.3456      0.00000
    119       0.7466      0.00000
    120       0.9054      0.00000
    121       0.9735      0.00000
    122       1.1023      0.00000
    123       1.2184      0.00000
    124       1.5394      0.00000
    125       1.5934      0.00000
    126       1.7220      0.00000
    127       1.8392      0.00000
    128       1.8627      0.00000
    129       1.9458      0.00000
    130       2.0342      0.00000
    131       2.1482      0.00000
    132       2.2985      0.00000
    133       2.4049      0.00000
    134       2.4665      0.00000
    135       2.4824      0.00000
    136       2.6662      0.00000
    137       2.6887      0.00000
    138       2.7515      0.00000
    139       2.7580      0.00000
    140       2.9085      0.00000
    141       3.0404      0.00000
    142       3.0987      0.00000
    143       3.1681      0.00000
    144       3.2101      0.00000
    145       3.2602      0.00000
    146       3.2833      0.00000
    147       3.3728      0.00000
    148       3.4953      0.00000
    149       3.5569      0.00000
    150       3.7151      0.00000
    151       3.7651      0.00000
    152       3.7706      0.00000
    153       3.8304      0.00000
    154       3.8999      0.00000
    155       3.9663      0.00000
    156       3.9746      0.00000
    157       4.0038      0.00000
    158       4.0384      0.00000
    159       4.0421      0.00000
    160       4.1044      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1368      1.00000
      2     -22.0426      1.00000
      3     -21.8822      1.00000
      4     -21.3302      1.00000
      5     -20.9772      1.00000
      6     -20.9392      1.00000
      7     -20.4288      1.00000
      8     -20.3868      1.00000
      9     -20.2223      1.00000
     10     -20.2012      1.00000
     11     -19.8848      1.00000
     12     -19.8177      1.00000
     13     -18.8107      1.00000
     14     -18.7402      1.00000
     15     -18.2859      1.00000
     16     -18.2329      1.00000
     17     -18.0821      1.00000
     18     -18.0623      1.00000
     19     -17.7578      1.00000
     20     -17.7157      1.00000
     21     -17.1853      1.00000
     22     -17.1669      1.00000
     23     -17.0965      1.00000
     24     -17.0607      1.00000
     25     -16.0339      1.00000
     26     -15.8189      1.00000
     27     -15.7960      1.00000
     28     -15.7616      1.00000
     29     -15.1707      1.00000
     30     -14.4876      1.00000
     31     -14.4553      1.00000
     32     -14.2150      1.00000
     33     -13.8920      1.00000
     34     -13.8871      1.00000
     35     -13.7531      1.00000
     36     -13.7333      1.00000
     37     -13.5483      1.00000
     38     -13.5001      1.00000
     39     -13.2957      1.00000
     40     -12.5604      1.00000
     41     -12.1218      1.00000
     42     -12.0633      1.00000
     43     -12.0061      1.00000
     44     -11.9479      1.00000
     45     -11.6080      1.00000
     46     -11.5854      1.00000
     47     -11.0820      1.00000
     48     -11.0495      1.00000
     49     -10.7484      1.00000
     50     -10.6608      1.00000
     51     -10.5184      1.00000
     52     -10.1456      1.00000
     53     -10.1353      1.00000
     54     -10.0931      1.00000
     55      -9.9498      1.00000
     56      -9.9443      1.00000
     57      -9.9143      1.00000
     58      -9.7345      1.00000
     59      -9.7284      1.00000
     60      -9.6983      1.00000
     61      -9.6885      1.00000
     62      -9.4238      1.00000
     63      -9.3596      1.00000
     64      -9.0806      1.00000
     65      -9.0037      1.00000
     66      -8.9721      1.00000
     67      -8.8854      1.00000
     68      -8.8084      1.00000
     69      -8.6545      1.00000
     70      -8.6323      1.00000
     71      -8.5726      1.00000
     72      -8.4756      1.00000
     73      -8.4643      1.00000
     74      -8.3953      1.00000
     75      -8.3916      1.00000
     76      -8.1809      1.00000
     77      -8.1090      1.00000
     78      -7.9745      1.00000
     79      -7.9101      1.00000
     80      -7.8444      1.00000
     81      -7.6126      1.00000
     82      -7.5281      1.00000
     83      -7.4670      1.00000
     84      -7.2672      1.00000
     85      -6.9320      1.00000
     86      -6.8564      1.00000
     87      -6.8094      1.00000
     88      -6.5694      1.00000
     89      -6.4645      1.00000
     90      -6.4183      1.00000
     91      -6.3546      1.00000
     92      -6.0477      1.00000
     93      -5.8745      1.00000
     94      -5.7508      1.00000
     95      -5.7194      1.00000
     96      -5.4732      1.00000
     97      -5.3433      1.00000
     98      -5.1781      1.00000
     99      -5.1539      1.00000
    100      -5.1530      1.00000
    101      -4.7050      1.00000
    102      -4.4412      1.00000
    103      -4.2520      1.00000
    104      -3.9942      1.00000
    105      -3.8195      1.00000
    106      -3.1561      1.00000
    107      -2.4626      0.00000
    108      -1.3785      0.00000
    109      -1.2409      0.00000
    110      -1.1463      0.00000
    111      -1.1142      0.00000
    112      -0.5659      0.00000
    113      -0.4350      0.00000
    114      -0.4310      0.00000
    115      -0.3102      0.00000
    116      -0.1913      0.00000
    117       0.0616      0.00000
    118       0.1151      0.00000
    119       0.5400      0.00000
    120       0.6840      0.00000
    121       0.8828      0.00000
    122       0.9809      0.00000
    123       1.1224      0.00000
    124       1.5063      0.00000
    125       1.6803      0.00000
    126       1.8419      0.00000
    127       1.8964      0.00000
    128       2.0840      0.00000
    129       2.1208      0.00000
    130       2.1671      0.00000
    131       2.2207      0.00000
    132       2.3276      0.00000
    133       2.3407      0.00000
    134       2.4831      0.00000
    135       2.5642      0.00000
    136       2.6893      0.00000
    137       2.8909      0.00000
    138       2.9381      0.00000
    139       2.9806      0.00000
    140       3.0065      0.00000
    141       3.0573      0.00000
    142       3.1387      0.00000
    143       3.1689      0.00000
    144       3.2585      0.00000
    145       3.3059      0.00000
    146       3.3439      0.00000
    147       3.3547      0.00000
    148       3.3903      0.00000
    149       3.4243      0.00000
    150       3.5137      0.00000
    151       3.5642      0.00000
    152       3.6253      0.00000
    153       3.6530      0.00000
    154       3.7020      0.00000
    155       3.7282      0.00000
    156       3.9349      0.00000
    157       3.9483      0.00000
    158       4.0773      0.00000
    159       4.1196      0.00000
    160       4.2288      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2430      1.00000
      2     -21.8903      1.00000
      3     -21.8173      1.00000
      4     -21.3116      1.00000
      5     -21.2733      1.00000
      6     -20.7669      1.00000
      7     -20.6986      1.00000
      8     -20.5503      1.00000
      9     -20.0185      1.00000
     10     -19.9865      1.00000
     11     -19.6461      1.00000
     12     -19.6154      1.00000
     13     -18.9392      1.00000
     14     -18.9049      1.00000
     15     -18.5801      1.00000
     16     -18.5429      1.00000
     17     -18.3884      1.00000
     18     -17.5979      1.00000
     19     -17.5672      1.00000
     20     -17.5380      1.00000
     21     -17.5052      1.00000
     22     -17.0709      1.00000
     23     -17.0242      1.00000
     24     -16.8969      1.00000
     25     -15.9423      1.00000
     26     -15.8472      1.00000
     27     -15.5293      1.00000
     28     -15.5030      1.00000
     29     -15.2062      1.00000
     30     -14.8101      1.00000
     31     -14.7581      1.00000
     32     -14.5063      1.00000
     33     -14.4649      1.00000
     34     -14.0929      1.00000
     35     -14.0899      1.00000
     36     -13.1014      1.00000
     37     -13.0259      1.00000
     38     -12.9535      1.00000
     39     -12.9467      1.00000
     40     -12.6526      1.00000
     41     -12.6245      1.00000
     42     -12.2702      1.00000
     43     -12.2433      1.00000
     44     -11.5700      1.00000
     45     -11.5509      1.00000
     46     -11.4970      1.00000
     47     -10.8742      1.00000
     48     -10.8651      1.00000
     49     -10.6755      1.00000
     50     -10.5225      1.00000
     51     -10.5163      1.00000
     52     -10.4303      1.00000
     53     -10.4126      1.00000
     54     -10.3673      1.00000
     55     -10.2848      1.00000
     56     -10.0559      1.00000
     57      -9.8289      1.00000
     58      -9.5551      1.00000
     59      -9.4816      1.00000
     60      -9.4396      1.00000
     61      -9.3527      1.00000
     62      -9.3363      1.00000
     63      -9.3049      1.00000
     64      -9.2991      1.00000
     65      -9.2029      1.00000
     66      -9.0969      1.00000
     67      -9.0662      1.00000
     68      -9.0462      1.00000
     69      -8.8448      1.00000
     70      -8.7939      1.00000
     71      -8.7744      1.00000
     72      -8.5238      1.00000
     73      -8.4915      1.00000
     74      -8.2200      1.00000
     75      -8.1265      1.00000
     76      -8.0903      1.00000
     77      -7.8039      1.00000
     78      -7.7650      1.00000
     79      -7.7369      1.00000
     80      -7.6987      1.00000
     81      -7.6335      1.00000
     82      -7.6221      1.00000
     83      -7.3875      1.00000
     84      -7.3428      1.00000
     85      -7.2250      1.00000
     86      -6.8411      1.00000
     87      -6.8191      1.00000
     88      -6.6350      1.00000
     89      -6.5272      1.00000
     90      -6.3395      1.00000
     91      -6.2702      1.00000
     92      -6.1929      1.00000
     93      -6.1300      1.00000
     94      -6.0174      1.00000
     95      -5.6317      1.00000
     96      -5.5059      1.00000
     97      -5.2958      1.00000
     98      -5.1544      1.00000
     99      -5.0372      1.00000
    100      -4.7231      1.00000
    101      -4.6839      1.00000
    102      -4.3680      1.00000
    103      -4.1828      1.00000
    104      -4.0070      1.00000
    105      -3.8190      1.00000
    106      -3.4836      1.00000
    107      -2.1644      0.00000
    108      -1.3831      0.00000
    109      -1.2354      0.00000
    110      -1.1852      0.00000
    111      -1.0144      0.00000
    112      -0.9555      0.00000
    113      -0.7971      0.00000
    114      -0.7519      0.00000
    115      -0.3706      0.00000
    116       0.2447      0.00000
    117       0.2763      0.00000
    118       0.3635      0.00000
    119       0.7125      0.00000
    120       0.8697      0.00000
    121       0.9658      0.00000
    122       1.1353      0.00000
    123       1.2488      0.00000
    124       1.4621      0.00000
    125       1.5886      0.00000
    126       1.7848      0.00000
    127       1.8466      0.00000
    128       1.8723      0.00000
    129       2.0042      0.00000
    130       2.0439      0.00000
    131       2.1825      0.00000
    132       2.2378      0.00000
    133       2.3982      0.00000
    134       2.4263      0.00000
    135       2.5067      0.00000
    136       2.6601      0.00000
    137       2.6847      0.00000
    138       2.7456      0.00000
    139       2.7850      0.00000
    140       2.8779      0.00000
    141       2.9915      0.00000
    142       3.0962      0.00000
    143       3.1558      0.00000
    144       3.2070      0.00000
    145       3.2669      0.00000
    146       3.3019      0.00000
    147       3.3430      0.00000
    148       3.4964      0.00000
    149       3.5392      0.00000
    150       3.7191      0.00000
    151       3.7405      0.00000
    152       3.7711      0.00000
    153       3.8666      0.00000
    154       3.8820      0.00000
    155       3.9081      0.00000
    156       3.9663      0.00000
    157       4.0109      0.00000
    158       4.0439      0.00000
    159       4.0473      0.00000
    160       4.0944      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3150      1.00000
      2     -21.7568      1.00000
      3     -21.5633      1.00000
      4     -21.5365      1.00000
      5     -21.2004      1.00000
      6     -21.1620      1.00000
      7     -20.9816      1.00000
      8     -20.0942      1.00000
      9     -20.0560      1.00000
     10     -19.5424      1.00000
     11     -19.5220      1.00000
     12     -19.3410      1.00000
     13     -19.0240      1.00000
     14     -18.9842      1.00000
     15     -18.9739      1.00000
     16     -18.9680      1.00000
     17     -18.2925      1.00000
     18     -18.2786      1.00000
     19     -17.9428      1.00000
     20     -16.9967      1.00000
     21     -16.9566      1.00000
     22     -16.8797      1.00000
     23     -16.8665      1.00000
     24     -16.4125      1.00000
     25     -16.3904      1.00000
     26     -15.5370      1.00000
     27     -15.5339      1.00000
     28     -15.1693      1.00000
     29     -15.1684      1.00000
     30     -15.1272      1.00000
     31     -15.0330      1.00000
     32     -14.9976      1.00000
     33     -14.6298      1.00000
     34     -14.6233      1.00000
     35     -13.6594      1.00000
     36     -13.6501      1.00000
     37     -13.1679      1.00000
     38     -12.5697      1.00000
     39     -12.5105      1.00000
     40     -12.3818      1.00000
     41     -12.3817      1.00000
     42     -12.0325      1.00000
     43     -12.0290      1.00000
     44     -11.6512      1.00000
     45     -11.6115      1.00000
     46     -11.2029      1.00000
     47     -11.1544      1.00000
     48     -10.9519      1.00000
     49     -10.9389      1.00000
     50     -10.8569      1.00000
     51     -10.8251      1.00000
     52     -10.6177      1.00000
     53     -10.1423      1.00000
     54     -10.0812      1.00000
     55     -10.0221      1.00000
     56      -9.9408      1.00000
     57      -9.6281      1.00000
     58      -9.6263      1.00000
     59      -9.5997      1.00000
     60      -9.5378      1.00000
     61      -9.5010      1.00000
     62      -9.4762      1.00000
     63      -9.2684      1.00000
     64      -9.2326      1.00000
     65      -9.2037      1.00000
     66      -9.1767      1.00000
     67      -9.0594      1.00000
     68      -9.0442      1.00000
     69      -9.0406      1.00000
     70      -8.8739      1.00000
     71      -8.8059      1.00000
     72      -8.5306      1.00000
     73      -8.5299      1.00000
     74      -8.4917      1.00000
     75      -8.0286      1.00000
     76      -7.8295      1.00000
     77      -7.7947      1.00000
     78      -7.7716      1.00000
     79      -7.7010      1.00000
     80      -7.6821      1.00000
     81      -7.4183      1.00000
     82      -7.2855      1.00000
     83      -7.2492      1.00000
     84      -7.1997      1.00000
     85      -7.0779      1.00000
     86      -7.0777      1.00000
     87      -6.9364      1.00000
     88      -6.7073      1.00000
     89      -6.6715      1.00000
     90      -6.6269      1.00000
     91      -6.5555      1.00000
     92      -6.0694      1.00000
     93      -6.0290      1.00000
     94      -5.9988      1.00000
     95      -5.9356      1.00000
     96      -5.7966      1.00000
     97      -5.1759      1.00000
     98      -4.8914      1.00000
     99      -4.7903      1.00000
    100      -4.6095      1.00000
    101      -4.5115      1.00000
    102      -4.1378      1.00000
    103      -4.0905      1.00000
    104      -3.9304      1.00000
    105      -3.9156      1.00000
    106      -3.8184      1.00000
    107      -1.7513      0.00000
    108      -1.6965      0.00000
    109      -1.4098      0.00000
    110      -1.3712      0.00000
    111      -1.2643      0.00000
    112      -1.2351      0.00000
    113      -0.6277      0.00000
    114      -0.5983      0.00000
    115      -0.1898      0.00000
    116       0.0391      0.00000
    117       0.5945      0.00000
    118       0.7437      0.00000
    119       0.8486      0.00000
    120       0.9299      0.00000
    121       1.1673      0.00000
    122       1.2168      0.00000
    123       1.2506      0.00000
    124       1.4423      0.00000
    125       1.6044      0.00000
    126       1.6543      0.00000
    127       1.7201      0.00000
    128       1.7824      0.00000
    129       1.9183      0.00000
    130       1.9388      0.00000
    131       2.1511      0.00000
    132       2.1904      0.00000
    133       2.2685      0.00000
    134       2.3277      0.00000
    135       2.5624      0.00000
    136       2.5947      0.00000
    137       2.5969      0.00000
    138       2.7691      0.00000
    139       2.7968      0.00000
    140       2.8008      0.00000
    141       2.8938      0.00000
    142       2.9179      0.00000
    143       3.0338      0.00000
    144       3.0571      0.00000
    145       3.1239      0.00000
    146       3.3104      0.00000
    147       3.3219      0.00000
    148       3.3874      0.00000
    149       3.4894      0.00000
    150       3.5855      0.00000
    151       3.6529      0.00000
    152       3.6652      0.00000
    153       3.6855      0.00000
    154       3.9102      0.00000
    155       3.9839      0.00000
    156       4.0220      0.00000
    157       4.0942      0.00000
    158       4.2551      0.00000
    159       4.2655      0.00000
    160       4.2745      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1360      1.00000
      2     -22.0437      1.00000
      3     -21.8818      1.00000
      4     -21.3311      1.00000
      5     -20.9723      1.00000
      6     -20.9432      1.00000
      7     -20.4236      1.00000
      8     -20.3920      1.00000
      9     -20.2118      1.00000
     10     -20.2105      1.00000
     11     -19.8839      1.00000
     12     -19.8200      1.00000
     13     -18.8139      1.00000
     14     -18.7431      1.00000
     15     -18.2619      1.00000
     16     -18.2482      1.00000
     17     -18.0766      1.00000
     18     -18.0703      1.00000
     19     -17.7421      1.00000
     20     -17.7269      1.00000
     21     -17.1915      1.00000
     22     -17.1687      1.00000
     23     -17.0860      1.00000
     24     -17.0645      1.00000
     25     -16.0498      1.00000
     26     -15.8047      1.00000
     27     -15.7952      1.00000
     28     -15.7746      1.00000
     29     -15.1566      1.00000
     30     -14.4822      1.00000
     31     -14.4610      1.00000
     32     -14.2017      1.00000
     33     -13.9134      1.00000
     34     -13.8832      1.00000
     35     -13.7566      1.00000
     36     -13.7356      1.00000
     37     -13.5330      1.00000
     38     -13.5077      1.00000
     39     -13.2971      1.00000
     40     -12.5725      1.00000
     41     -12.0982      1.00000
     42     -12.0746      1.00000
     43     -11.9950      1.00000
     44     -11.9473      1.00000
     45     -11.6026      1.00000
     46     -11.5953      1.00000
     47     -11.0810      1.00000
     48     -11.0589      1.00000
     49     -10.7286      1.00000
     50     -10.6613      1.00000
     51     -10.5502      1.00000
     52     -10.1368      1.00000
     53     -10.1321      1.00000
     54     -10.0975      1.00000
     55      -9.9633      1.00000
     56      -9.9222      1.00000
     57      -9.9184      1.00000
     58      -9.7476      1.00000
     59      -9.7264      1.00000
     60      -9.6946      1.00000
     61      -9.6928      1.00000
     62      -9.3956      1.00000
     63      -9.3863      1.00000
     64      -9.0640      1.00000
     65      -8.9788      1.00000
     66      -8.9785      1.00000
     67      -8.9035      1.00000
     68      -8.8091      1.00000
     69      -8.6463      1.00000
     70      -8.6316      1.00000
     71      -8.5411      1.00000
     72      -8.4991      1.00000
     73      -8.4799      1.00000
     74      -8.3922      1.00000
     75      -8.3798      1.00000
     76      -8.2061      1.00000
     77      -8.0972      1.00000
     78      -8.0042      1.00000
     79      -7.8978      1.00000
     80      -7.8397      1.00000
     81      -7.6185      1.00000
     82      -7.5308      1.00000
     83      -7.4546      1.00000
     84      -7.2629      1.00000
     85      -6.9406      1.00000
     86      -6.8667      1.00000
     87      -6.8083      1.00000
     88      -6.4761      1.00000
     89      -6.4664      1.00000
     90      -6.4078      1.00000
     91      -6.3571      1.00000
     92      -6.1819      1.00000
     93      -5.8558      1.00000
     94      -5.7360      1.00000
     95      -5.7091      1.00000
     96      -5.5189      1.00000
     97      -5.3269      1.00000
     98      -5.1706      1.00000
     99      -5.1662      1.00000
    100      -5.1321      1.00000
    101      -4.6943      1.00000
    102      -4.3490      1.00000
    103      -4.2765      1.00000
    104      -4.0266      1.00000
    105      -3.8204      1.00000
    106      -3.2323      1.00000
    107      -2.4054      0.00000
    108      -1.3450      0.00000
    109      -1.2433      0.00000
    110      -1.1536      0.00000
    111      -1.1084      0.00000
    112      -0.5851      0.00000
    113      -0.5220      0.00000
    114      -0.4336      0.00000
    115      -0.2748      0.00000
    116      -0.0734      0.00000
    117      -0.0125      0.00000
    118       0.0602      0.00000
    119       0.5840      0.00000
    120       0.7099      0.00000
    121       0.8212      0.00000
    122       0.9552      0.00000
    123       1.1958      0.00000
    124       1.5328      0.00000
    125       1.6324      0.00000
    126       1.8872      0.00000
    127       2.0260      0.00000
    128       2.0623      0.00000
    129       2.0909      0.00000
    130       2.1406      0.00000
    131       2.2268      0.00000
    132       2.2871      0.00000
    133       2.3376      0.00000
    134       2.4281      0.00000
    135       2.6114      0.00000
    136       2.7164      0.00000
    137       2.8506      0.00000
    138       2.9140      0.00000
    139       2.9455      0.00000
    140       3.0264      0.00000
    141       3.0615      0.00000
    142       3.1272      0.00000
    143       3.1776      0.00000
    144       3.2320      0.00000
    145       3.3100      0.00000
    146       3.3233      0.00000
    147       3.3633      0.00000
    148       3.3819      0.00000
    149       3.4381      0.00000
    150       3.4591      0.00000
    151       3.5667      0.00000
    152       3.6134      0.00000
    153       3.6562      0.00000
    154       3.7006      0.00000
    155       3.8726      0.00000
    156       3.9154      0.00000
    157       3.9482      0.00000
    158       3.9698      0.00000
    159       4.1831      0.00000
    160       4.2082      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2090      1.00000
      2     -22.0039      1.00000
      3     -21.6419      1.00000
      4     -21.6110      1.00000
      5     -20.9054      1.00000
      6     -20.8653      1.00000
      7     -20.5349      1.00000
      8     -20.5028      1.00000
      9     -20.4960      1.00000
     10     -19.9586      1.00000
     11     -19.4372      1.00000
     12     -19.4150      1.00000
     13     -19.2366      1.00000
     14     -19.2288      1.00000
     15     -18.3724      1.00000
     16     -18.3377      1.00000
     17     -17.8555      1.00000
     18     -17.8392      1.00000
     19     -17.6878      1.00000
     20     -17.6523      1.00000
     21     -17.3694      1.00000
     22     -17.3546      1.00000
     23     -17.2644      1.00000
     24     -16.4100      1.00000
     25     -16.3871      1.00000
     26     -15.9009      1.00000
     27     -15.3400      1.00000
     28     -15.3354      1.00000
     29     -15.0276      1.00000
     30     -15.0183      1.00000
     31     -14.7734      1.00000
     32     -14.7720      1.00000
     33     -14.2344      1.00000
     34     -14.1840      1.00000
     35     -13.3845      1.00000
     36     -13.3307      1.00000
     37     -13.1080      1.00000
     38     -13.1005      1.00000
     39     -12.9141      1.00000
     40     -12.9081      1.00000
     41     -12.5425      1.00000
     42     -12.5354      1.00000
     43     -12.1307      1.00000
     44     -11.5102      1.00000
     45     -11.4663      1.00000
     46     -11.2412      1.00000
     47     -11.2101      1.00000
     48     -11.0835      1.00000
     49     -10.6995      1.00000
     50     -10.5929      1.00000
     51     -10.5042      1.00000
     52     -10.2485      1.00000
     53     -10.2446      1.00000
     54     -10.1177      1.00000
     55     -10.0515      1.00000
     56     -10.0366      1.00000
     57      -9.7808      1.00000
     58      -9.6844      1.00000
     59      -9.6704      1.00000
     60      -9.6348      1.00000
     61      -9.6255      1.00000
     62      -9.5829      1.00000
     63      -9.2926      1.00000
     64      -9.2809      1.00000
     65      -9.2503      1.00000
     66      -9.0573      1.00000
     67      -8.8922      1.00000
     68      -8.8812      1.00000
     69      -8.7159      1.00000
     70      -8.5750      1.00000
     71      -8.5236      1.00000
     72      -8.3475      1.00000
     73      -8.3024      1.00000
     74      -8.2408      1.00000
     75      -8.2354      1.00000
     76      -8.1921      1.00000
     77      -8.1800      1.00000
     78      -8.1674      1.00000
     79      -8.0998      1.00000
     80      -7.6861      1.00000
     81      -7.4234      1.00000
     82      -7.3410      1.00000
     83      -7.2576      1.00000
     84      -7.1667      1.00000
     85      -7.1074      1.00000
     86      -7.0041      1.00000
     87      -6.9016      1.00000
     88      -6.8473      1.00000
     89      -6.5401      1.00000
     90      -6.4966      1.00000
     91      -6.2046      1.00000
     92      -6.1999      1.00000
     93      -5.8925      1.00000
     94      -5.6704      1.00000
     95      -5.6042      1.00000
     96      -5.5779      1.00000
     97      -5.2519      1.00000
     98      -5.2290      1.00000
     99      -5.1633      1.00000
    100      -5.1328      1.00000
    101      -4.5988      1.00000
    102      -4.2470      1.00000
    103      -4.0429      1.00000
    104      -3.8835      1.00000
    105      -3.8357      1.00000
    106      -3.7975      1.00000
    107      -1.8075      0.00000
    108      -1.7814      0.00000
    109      -1.2255      0.00000
    110      -1.1750      0.00000
    111      -0.9739      0.00000
    112      -0.7349      0.00000
    113      -0.6500      0.00000
    114      -0.5939      0.00000
    115      -0.5492      0.00000
    116      -0.1585      0.00000
    117       0.1758      0.00000
    118       0.2881      0.00000
    119       0.7177      0.00000
    120       0.9601      0.00000
    121       1.1713      0.00000
    122       1.2772      0.00000
    123       1.3580      0.00000
    124       1.5270      0.00000
    125       1.6187      0.00000
    126       1.6391      0.00000
    127       1.6956      0.00000
    128       1.7829      0.00000
    129       1.8776      0.00000
    130       2.0403      0.00000
    131       2.1705      0.00000
    132       2.2837      0.00000
    133       2.4216      0.00000
    134       2.4259      0.00000
    135       2.5783      0.00000
    136       2.6422      0.00000
    137       2.6965      0.00000
    138       2.6985      0.00000
    139       2.7750      0.00000
    140       2.9172      0.00000
    141       3.0636      0.00000
    142       3.0759      0.00000
    143       3.2057      0.00000
    144       3.2928      0.00000
    145       3.4087      0.00000
    146       3.4243      0.00000
    147       3.4675      0.00000
    148       3.5526      0.00000
    149       3.5933      0.00000
    150       3.6421      0.00000
    151       3.6761      0.00000
    152       3.7009      0.00000
    153       3.7553      0.00000
    154       3.7613      0.00000
    155       3.8449      0.00000
    156       3.9170      0.00000
    157       3.9174      0.00000
    158       3.9823      0.00000
    159       4.2039      0.00000
    160       4.2401      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3517      1.00000
      2     -21.5311      1.00000
      3     -21.4026      1.00000
      4     -21.4021      1.00000
      5     -21.3705      1.00000
      6     -21.3617      1.00000
      7     -21.3542      1.00000
      8     -19.6411      1.00000
      9     -19.5683      1.00000
     10     -19.5609      1.00000
     11     -19.5549      1.00000
     12     -19.5363      1.00000
     13     -19.5337      1.00000
     14     -18.7240      1.00000
     15     -18.6756      1.00000
     16     -18.6681      1.00000
     17     -18.6546      1.00000
     18     -18.6398      1.00000
     19     -18.6383      1.00000
     20     -16.5825      1.00000
     21     -16.5232      1.00000
     22     -16.5209      1.00000
     23     -16.5085      1.00000
     24     -16.4840      1.00000
     25     -16.4821      1.00000
     26     -15.5545      1.00000
     27     -15.5226      1.00000
     28     -15.5219      1.00000
     29     -15.4958      1.00000
     30     -15.4908      1.00000
     31     -15.4857      1.00000
     32     -14.2025      1.00000
     33     -14.1768      1.00000
     34     -14.1640      1.00000
     35     -14.1623      1.00000
     36     -14.1565      1.00000
     37     -14.1454      1.00000
     38     -11.8796      1.00000
     39     -11.8055      1.00000
     40     -11.7898      1.00000
     41     -11.7893      1.00000
     42     -11.7860      1.00000
     43     -11.7803      1.00000
     44     -11.7010      1.00000
     45     -11.6954      1.00000
     46     -11.6687      1.00000
     47     -11.6546      1.00000
     48     -11.6544      1.00000
     49     -11.6473      1.00000
     50     -10.6661      1.00000
     51     -10.3257      1.00000
     52     -10.3178      1.00000
     53     -10.3020      1.00000
     54     -10.3008      1.00000
     55     -10.2878      1.00000
     56     -10.2750      1.00000
     57      -9.9190      1.00000
     58      -9.3691      1.00000
     59      -9.3564      1.00000
     60      -9.2971      1.00000
     61      -9.2892      1.00000
     62      -9.2822      1.00000
     63      -9.0884      1.00000
     64      -9.0518      1.00000
     65      -9.0467      1.00000
     66      -9.0239      1.00000
     67      -9.0047      1.00000
     68      -8.9994      1.00000
     69      -8.9976      1.00000
     70      -8.9921      1.00000
     71      -8.9896      1.00000
     72      -8.9700      1.00000
     73      -8.9625      1.00000
     74      -8.9520      1.00000
     75      -8.4837      1.00000
     76      -7.5159      1.00000
     77      -7.4085      1.00000
     78      -7.4082      1.00000
     79      -7.3946      1.00000
     80      -7.3811      1.00000
     81      -7.3617      1.00000
     82      -7.3392      1.00000
     83      -7.3092      1.00000
     84      -7.2638      1.00000
     85      -7.2039      1.00000
     86      -7.1774      1.00000
     87      -7.1773      1.00000
     88      -7.0798      1.00000
     89      -6.5039      1.00000
     90      -6.4583      1.00000
     91      -6.3520      1.00000
     92      -6.2918      1.00000
     93      -6.2861      1.00000
     94      -6.2847      1.00000
     95      -5.8951      1.00000
     96      -5.8833      1.00000
     97      -5.0388      1.00000
     98      -4.9345      1.00000
     99      -4.5340      1.00000
    100      -4.3396      1.00000
    101      -4.3169      1.00000
    102      -4.3155      1.00000
    103      -4.1167      1.00000
    104      -3.9121      1.00000
    105      -3.9009      1.00000
    106      -3.8241      1.00000
    107      -1.6811      0.00000
    108      -1.6676      0.00000
    109      -1.5361      0.00000
    110      -1.5342      0.00000
    111      -1.5233      0.00000
    112      -1.5090      0.00000
    113      -0.5908      0.00000
    114       0.1332      0.00000
    115       0.2067      0.00000
    116       0.3250      0.00000
    117       0.3260      0.00000
    118       0.3340      0.00000
    119       0.4931      0.00000
    120       0.6107      0.00000
    121       1.2617      0.00000
    122       1.2909      0.00000
    123       1.5429      0.00000
    124       1.7537      0.00000
    125       1.8181      0.00000
    126       1.8218      0.00000
    127       1.8273      0.00000
    128       1.9471      0.00000
    129       1.9938      0.00000
    130       2.0306      0.00000
    131       2.0448      0.00000
    132       2.0498      0.00000
    133       2.0573      0.00000
    134       2.0668      0.00000
    135       2.3179      0.00000
    136       2.3300      0.00000
    137       2.6509      0.00000
    138       2.6598      0.00000
    139       2.6915      0.00000
    140       2.7367      0.00000
    141       2.8891      0.00000
    142       2.9928      0.00000
    143       3.0132      0.00000
    144       3.0339      0.00000
    145       3.0354      0.00000
    146       3.0379      0.00000
    147       3.0885      0.00000
    148       3.2512      0.00000
    149       3.4390      0.00000
    150       3.5601      0.00000
    151       3.7815      0.00000
    152       3.9502      0.00000
    153       3.9620      0.00000
    154       3.9681      0.00000
    155       3.9690      0.00000
    156       4.0109      0.00000
    157       4.1876      0.00000
    158       4.2693      0.00000
    159       4.2943      0.00000
    160       4.2956      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3151      1.00000
      2     -21.7566      1.00000
      3     -21.5659      1.00000
      4     -21.5336      1.00000
      5     -21.2032      1.00000
      6     -21.1587      1.00000
      7     -20.9829      1.00000
      8     -20.0973      1.00000
      9     -20.0536      1.00000
     10     -19.5420      1.00000
     11     -19.5177      1.00000
     12     -19.3451      1.00000
     13     -19.0203      1.00000
     14     -18.9859      1.00000
     15     -18.9777      1.00000
     16     -18.9653      1.00000
     17     -18.2935      1.00000
     18     -18.2745      1.00000
     19     -17.9484      1.00000
     20     -17.0060      1.00000
     21     -16.9564      1.00000
     22     -16.8752      1.00000
     23     -16.8658      1.00000
     24     -16.4017      1.00000
     25     -16.3870      1.00000
     26     -15.5478      1.00000
     27     -15.5322      1.00000
     28     -15.1940      1.00000
     29     -15.1657      1.00000
     30     -15.1112      1.00000
     31     -15.0243      1.00000
     32     -14.9996      1.00000
     33     -14.6327      1.00000
     34     -14.6210      1.00000
     35     -13.6640      1.00000
     36     -13.6488      1.00000
     37     -13.1665      1.00000
     38     -12.5480      1.00000
     39     -12.5152      1.00000
     40     -12.3872      1.00000
     41     -12.3743      1.00000
     42     -12.0542      1.00000
     43     -12.0316      1.00000
     44     -11.6554      1.00000
     45     -11.6137      1.00000
     46     -11.1775      1.00000
     47     -11.1545      1.00000
     48     -10.9611      1.00000
     49     -10.9375      1.00000
     50     -10.8697      1.00000
     51     -10.8339      1.00000
     52     -10.5960      1.00000
     53     -10.0898      1.00000
     54     -10.0854      1.00000
     55     -10.0420      1.00000
     56      -9.9664      1.00000
     57      -9.6507      1.00000
     58      -9.6263      1.00000
     59      -9.5885      1.00000
     60      -9.5268      1.00000
     61      -9.5080      1.00000
     62      -9.4763      1.00000
     63      -9.2605      1.00000
     64      -9.2383      1.00000
     65      -9.2176      1.00000
     66      -9.1633      1.00000
     67      -9.0655      1.00000
     68      -9.0439      1.00000
     69      -9.0380      1.00000
     70      -8.8792      1.00000
     71      -8.8034      1.00000
     72      -8.5720      1.00000
     73      -8.5201      1.00000
     74      -8.4510      1.00000
     75      -8.0331      1.00000
     76      -7.8071      1.00000
     77      -7.8041      1.00000
     78      -7.7897      1.00000
     79      -7.6976      1.00000
     80      -7.6883      1.00000
     81      -7.3679      1.00000
     82      -7.2708      1.00000
     83      -7.2624      1.00000
     84      -7.2155      1.00000
     85      -7.1704      1.00000
     86      -7.0071      1.00000
     87      -6.9451      1.00000
     88      -6.7427      1.00000
     89      -6.6694      1.00000
     90      -6.5927      1.00000
     91      -6.5572      1.00000
     92      -6.0484      1.00000
     93      -6.0441      1.00000
     94      -6.0194      1.00000
     95      -5.9569      1.00000
     96      -5.7341      1.00000
     97      -5.1491      1.00000
     98      -4.9866      1.00000
     99      -4.7155      1.00000
    100      -4.6094      1.00000
    101      -4.4378      1.00000
    102      -4.3725      1.00000
    103      -4.1208      1.00000
    104      -3.8677      1.00000
    105      -3.8253      1.00000
    106      -3.7896      1.00000
    107      -1.7848      0.00000
    108      -1.7382      0.00000
    109      -1.3944      0.00000
    110      -1.3455      0.00000
    111      -1.2647      0.00000
    112      -1.2257      0.00000
    113      -0.7469      0.00000
    114      -0.3814      0.00000
    115      -0.2203      0.00000
    116      -0.0213      0.00000
    117       0.5983      0.00000
    118       0.7415      0.00000
    119       0.7651      0.00000
    120       1.0505      0.00000
    121       1.1413      0.00000
    122       1.2520      0.00000
    123       1.2816      0.00000
    124       1.4260      0.00000
    125       1.4931      0.00000
    126       1.6034      0.00000
    127       1.7453      0.00000
    128       1.8407      0.00000
    129       1.8934      0.00000
    130       1.9628      0.00000
    131       2.0998      0.00000
    132       2.2566      0.00000
    133       2.2654      0.00000
    134       2.3253      0.00000
    135       2.5024      0.00000
    136       2.5880      0.00000
    137       2.6528      0.00000
    138       2.7824      0.00000
    139       2.7939      0.00000
    140       2.8125      0.00000
    141       2.8710      0.00000
    142       2.8856      0.00000
    143       2.9416      0.00000
    144       3.1195      0.00000
    145       3.2964      0.00000
    146       3.3085      0.00000
    147       3.3426      0.00000
    148       3.3679      0.00000
    149       3.4780      0.00000
    150       3.5715      0.00000
    151       3.6233      0.00000
    152       3.6821      0.00000
    153       3.7165      0.00000
    154       3.9245      0.00000
    155       3.9386      0.00000
    156       3.9950      0.00000
    157       4.0855      0.00000
    158       4.2150      0.00000
    159       4.2617      0.00000
    160       4.3049      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2093      1.00000
      2     -22.0034      1.00000
      3     -21.6445      1.00000
      4     -21.6079      1.00000
      5     -20.9084      1.00000
      6     -20.8625      1.00000
      7     -20.5412      1.00000
      8     -20.5023      1.00000
      9     -20.4919      1.00000
     10     -19.9595      1.00000
     11     -19.4381      1.00000
     12     -19.4114      1.00000
     13     -19.2377      1.00000
     14     -19.2234      1.00000
     15     -18.3801      1.00000
     16     -18.3363      1.00000
     17     -17.8563      1.00000
     18     -17.8356      1.00000
     19     -17.6942      1.00000
     20     -17.6519      1.00000
     21     -17.3685      1.00000
     22     -17.3528      1.00000
     23     -17.2712      1.00000
     24     -16.3981      1.00000
     25     -16.3833      1.00000
     26     -15.8927      1.00000
     27     -15.3487      1.00000
     28     -15.3336      1.00000
     29     -15.0311      1.00000
     30     -15.0174      1.00000
     31     -14.7965      1.00000
     32     -14.7720      1.00000
     33     -14.2187      1.00000
     34     -14.1869      1.00000
     35     -13.3680      1.00000
     36     -13.3346      1.00000
     37     -13.1167      1.00000
     38     -13.0993      1.00000
     39     -12.9122      1.00000
     40     -12.8989      1.00000
     41     -12.5537      1.00000
     42     -12.5359      1.00000
     43     -12.1303      1.00000
     44     -11.5179      1.00000
     45     -11.4706      1.00000
     46     -11.2499      1.00000
     47     -11.2165      1.00000
     48     -11.0768      1.00000
     49     -10.6536      1.00000
     50     -10.5865      1.00000
     51     -10.5180      1.00000
     52     -10.2546      1.00000
     53     -10.2460      1.00000
     54     -10.1191      1.00000
     55     -10.0463      1.00000
     56     -10.0387      1.00000
     57      -9.7650      1.00000
     58      -9.7021      1.00000
     59      -9.6768      1.00000
     60      -9.6278      1.00000
     61      -9.6238      1.00000
     62      -9.5847      1.00000
     63      -9.2914      1.00000
     64      -9.2824      1.00000
     65      -9.2502      1.00000
     66      -9.0806      1.00000
     67      -8.8944      1.00000
     68      -8.8802      1.00000
     69      -8.7217      1.00000
     70      -8.5836      1.00000
     71      -8.5112      1.00000
     72      -8.3279      1.00000
     73      -8.2996      1.00000
     74      -8.2617      1.00000
     75      -8.2302      1.00000
     76      -8.1927      1.00000
     77      -8.1841      1.00000
     78      -8.1681      1.00000
     79      -8.0927      1.00000
     80      -7.6853      1.00000
     81      -7.3600      1.00000
     82      -7.3087      1.00000
     83      -7.2641      1.00000
     84      -7.1853      1.00000
     85      -7.1245      1.00000
     86      -7.0745      1.00000
     87      -6.9044      1.00000
     88      -6.8804      1.00000
     89      -6.5472      1.00000
     90      -6.4908      1.00000
     91      -6.2077      1.00000
     92      -6.0658      1.00000
     93      -5.9386      1.00000
     94      -5.7109      1.00000
     95      -5.6305      1.00000
     96      -5.4498      1.00000
     97      -5.3023      1.00000
     98      -5.2321      1.00000
     99      -5.1503      1.00000
    100      -5.1495      1.00000
    101      -4.5187      1.00000
    102      -4.4702      1.00000
    103      -4.1393      1.00000
    104      -3.8282      1.00000
    105      -3.7566      1.00000
    106      -3.6796      1.00000
    107      -1.8706      0.00000
    108      -1.8235      0.00000
    109      -1.2773      0.00000
    110      -1.0357      0.00000
    111      -1.0120      0.00000
    112      -0.7130      0.00000
    113      -0.6397      0.00000
    114      -0.5886      0.00000
    115      -0.5460      0.00000
    116      -0.2076      0.00000
    117       0.2516      0.00000
    118       0.2784      0.00000
    119       0.7720      0.00000
    120       0.9528      0.00000
    121       1.1369      0.00000
    122       1.2332      0.00000
    123       1.3255      0.00000
    124       1.4201      0.00000
    125       1.6146      0.00000
    126       1.6359      0.00000
    127       1.7281      0.00000
    128       1.8186      0.00000
    129       1.9385      0.00000
    130       2.0397      0.00000
    131       2.0659      0.00000
    132       2.2822      0.00000
    133       2.4008      0.00000
    134       2.4558      0.00000
    135       2.5576      0.00000
    136       2.6488      0.00000
    137       2.7074      0.00000
    138       2.7779      0.00000
    139       2.8501      0.00000
    140       2.8965      0.00000
    141       3.0539      0.00000
    142       3.1071      0.00000
    143       3.2107      0.00000
    144       3.2535      0.00000
    145       3.3983      0.00000
    146       3.4337      0.00000
    147       3.5067      0.00000
    148       3.5887      0.00000
    149       3.6144      0.00000
    150       3.6338      0.00000
    151       3.6556      0.00000
    152       3.7401      0.00000
    153       3.7526      0.00000
    154       3.7643      0.00000
    155       3.8084      0.00000
    156       3.9041      0.00000
    157       3.9951      0.00000
    158       4.0207      0.00000
    159       4.1941      0.00000
    160       4.2219      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2432      1.00000
      2     -21.8890      1.00000
      3     -21.8186      1.00000
      4     -21.3071      1.00000
      5     -21.2772      1.00000
      6     -20.7662      1.00000
      7     -20.7003      1.00000
      8     -20.5519      1.00000
      9     -20.0043      1.00000
     10     -19.9975      1.00000
     11     -19.6437      1.00000
     12     -19.6196      1.00000
     13     -18.9250      1.00000
     14     -18.9174      1.00000
     15     -18.5664      1.00000
     16     -18.5532      1.00000
     17     -18.3900      1.00000
     18     -17.6111      1.00000
     19     -17.5553      1.00000
     20     -17.5500      1.00000
     21     -17.5082      1.00000
     22     -17.0520      1.00000
     23     -17.0350      1.00000
     24     -16.8885      1.00000
     25     -15.9268      1.00000
     26     -15.8630      1.00000
     27     -15.5129      1.00000
     28     -15.5115      1.00000
     29     -15.2248      1.00000
     30     -14.7908      1.00000
     31     -14.7640      1.00000
     32     -14.5122      1.00000
     33     -14.4677      1.00000
     34     -14.0987      1.00000
     35     -14.0869      1.00000
     36     -13.0737      1.00000
     37     -13.0289      1.00000
     38     -12.9633      1.00000
     39     -12.9516      1.00000
     40     -12.6417      1.00000
     41     -12.6359      1.00000
     42     -12.2704      1.00000
     43     -12.2387      1.00000
     44     -11.5838      1.00000
     45     -11.5578      1.00000
     46     -11.5029      1.00000
     47     -10.9004      1.00000
     48     -10.8474      1.00000
     49     -10.6156      1.00000
     50     -10.5562      1.00000
     51     -10.4807      1.00000
     52     -10.4303      1.00000
     53     -10.4206      1.00000
     54     -10.3687      1.00000
     55     -10.2905      1.00000
     56     -10.0607      1.00000
     57      -9.8298      1.00000
     58      -9.5452      1.00000
     59      -9.4849      1.00000
     60      -9.4647      1.00000
     61      -9.3434      1.00000
     62      -9.3277      1.00000
     63      -9.3073      1.00000
     64      -9.3053      1.00000
     65      -9.2109      1.00000
     66      -9.1085      1.00000
     67      -9.0786      1.00000
     68      -9.0468      1.00000
     69      -8.8422      1.00000
     70      -8.7904      1.00000
     71      -8.7704      1.00000
     72      -8.5240      1.00000
     73      -8.4708      1.00000
     74      -8.2149      1.00000
     75      -8.1069      1.00000
     76      -8.0965      1.00000
     77      -7.8044      1.00000
     78      -7.7810      1.00000
     79      -7.7784      1.00000
     80      -7.6698      1.00000
     81      -7.6291      1.00000
     82      -7.6281      1.00000
     83      -7.4021      1.00000
     84      -7.3218      1.00000
     85      -7.2065      1.00000
     86      -6.8375      1.00000
     87      -6.8268      1.00000
     88      -6.6565      1.00000
     89      -6.5361      1.00000
     90      -6.3423      1.00000
     91      -6.3042      1.00000
     92      -6.1827      1.00000
     93      -6.1449      1.00000
     94      -5.9754      1.00000
     95      -5.5694      1.00000
     96      -5.4237      1.00000
     97      -5.2570      1.00000
     98      -5.2431      1.00000
     99      -5.1466      1.00000
    100      -4.6933      1.00000
    101      -4.6643      1.00000
    102      -4.3498      1.00000
    103      -4.3110      1.00000
    104      -3.9633      1.00000
    105      -3.8206      1.00000
    106      -3.3900      1.00000
    107      -2.2195      0.00000
    108      -1.3763      0.00000
    109      -1.2865      0.00000
    110      -1.1729      0.00000
    111      -1.0781      0.00000
    112      -0.8938      0.00000
    113      -0.7681      0.00000
    114      -0.7575      0.00000
    115      -0.2244      0.00000
    116       0.1127      0.00000
    117       0.2639      0.00000
    118       0.3456      0.00000
    119       0.7466      0.00000
    120       0.9054      0.00000
    121       0.9735      0.00000
    122       1.1023      0.00000
    123       1.2184      0.00000
    124       1.5394      0.00000
    125       1.5934      0.00000
    126       1.7220      0.00000
    127       1.8392      0.00000
    128       1.8627      0.00000
    129       1.9459      0.00000
    130       2.0342      0.00000
    131       2.1482      0.00000
    132       2.2985      0.00000
    133       2.4049      0.00000
    134       2.4665      0.00000
    135       2.4824      0.00000
    136       2.6662      0.00000
    137       2.6887      0.00000
    138       2.7515      0.00000
    139       2.7580      0.00000
    140       2.9085      0.00000
    141       3.0404      0.00000
    142       3.0987      0.00000
    143       3.1681      0.00000
    144       3.2101      0.00000
    145       3.2602      0.00000
    146       3.2833      0.00000
    147       3.3728      0.00000
    148       3.4953      0.00000
    149       3.5569      0.00000
    150       3.7151      0.00000
    151       3.7651      0.00000
    152       3.7706      0.00000
    153       3.8304      0.00000
    154       3.8999      0.00000
    155       3.9664      0.00000
    156       3.9746      0.00000
    157       4.0039      0.00000
    158       4.0384      0.00000
    159       4.0421      0.00000
    160       4.1038      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1368      1.00000
      2     -22.0426      1.00000
      3     -21.8822      1.00000
      4     -21.3302      1.00000
      5     -20.9772      1.00000
      6     -20.9392      1.00000
      7     -20.4288      1.00000
      8     -20.3868      1.00000
      9     -20.2223      1.00000
     10     -20.2012      1.00000
     11     -19.8848      1.00000
     12     -19.8177      1.00000
     13     -18.8107      1.00000
     14     -18.7402      1.00000
     15     -18.2859      1.00000
     16     -18.2329      1.00000
     17     -18.0821      1.00000
     18     -18.0623      1.00000
     19     -17.7578      1.00000
     20     -17.7157      1.00000
     21     -17.1853      1.00000
     22     -17.1669      1.00000
     23     -17.0965      1.00000
     24     -17.0607      1.00000
     25     -16.0339      1.00000
     26     -15.8189      1.00000
     27     -15.7960      1.00000
     28     -15.7616      1.00000
     29     -15.1707      1.00000
     30     -14.4876      1.00000
     31     -14.4553      1.00000
     32     -14.2150      1.00000
     33     -13.8920      1.00000
     34     -13.8871      1.00000
     35     -13.7531      1.00000
     36     -13.7333      1.00000
     37     -13.5483      1.00000
     38     -13.5001      1.00000
     39     -13.2957      1.00000
     40     -12.5604      1.00000
     41     -12.1218      1.00000
     42     -12.0633      1.00000
     43     -12.0061      1.00000
     44     -11.9479      1.00000
     45     -11.6080      1.00000
     46     -11.5854      1.00000
     47     -11.0820      1.00000
     48     -11.0495      1.00000
     49     -10.7484      1.00000
     50     -10.6608      1.00000
     51     -10.5184      1.00000
     52     -10.1456      1.00000
     53     -10.1353      1.00000
     54     -10.0931      1.00000
     55      -9.9498      1.00000
     56      -9.9443      1.00000
     57      -9.9143      1.00000
     58      -9.7345      1.00000
     59      -9.7284      1.00000
     60      -9.6983      1.00000
     61      -9.6885      1.00000
     62      -9.4238      1.00000
     63      -9.3596      1.00000
     64      -9.0806      1.00000
     65      -9.0037      1.00000
     66      -8.9721      1.00000
     67      -8.8854      1.00000
     68      -8.8084      1.00000
     69      -8.6545      1.00000
     70      -8.6323      1.00000
     71      -8.5726      1.00000
     72      -8.4756      1.00000
     73      -8.4643      1.00000
     74      -8.3953      1.00000
     75      -8.3916      1.00000
     76      -8.1809      1.00000
     77      -8.1090      1.00000
     78      -7.9745      1.00000
     79      -7.9101      1.00000
     80      -7.8444      1.00000
     81      -7.6126      1.00000
     82      -7.5281      1.00000
     83      -7.4670      1.00000
     84      -7.2672      1.00000
     85      -6.9320      1.00000
     86      -6.8564      1.00000
     87      -6.8094      1.00000
     88      -6.5694      1.00000
     89      -6.4645      1.00000
     90      -6.4183      1.00000
     91      -6.3546      1.00000
     92      -6.0477      1.00000
     93      -5.8745      1.00000
     94      -5.7508      1.00000
     95      -5.7194      1.00000
     96      -5.4732      1.00000
     97      -5.3433      1.00000
     98      -5.1781      1.00000
     99      -5.1539      1.00000
    100      -5.1530      1.00000
    101      -4.7050      1.00000
    102      -4.4412      1.00000
    103      -4.2520      1.00000
    104      -3.9942      1.00000
    105      -3.8195      1.00000
    106      -3.1561      1.00000
    107      -2.4626      0.00000
    108      -1.3785      0.00000
    109      -1.2409      0.00000
    110      -1.1463      0.00000
    111      -1.1142      0.00000
    112      -0.5659      0.00000
    113      -0.4350      0.00000
    114      -0.4310      0.00000
    115      -0.3102      0.00000
    116      -0.1913      0.00000
    117       0.0616      0.00000
    118       0.1151      0.00000
    119       0.5400      0.00000
    120       0.6840      0.00000
    121       0.8828      0.00000
    122       0.9809      0.00000
    123       1.1224      0.00000
    124       1.5063      0.00000
    125       1.6803      0.00000
    126       1.8419      0.00000
    127       1.8964      0.00000
    128       2.0840      0.00000
    129       2.1208      0.00000
    130       2.1671      0.00000
    131       2.2207      0.00000
    132       2.3276      0.00000
    133       2.3407      0.00000
    134       2.4831      0.00000
    135       2.5642      0.00000
    136       2.6893      0.00000
    137       2.8909      0.00000
    138       2.9381      0.00000
    139       2.9806      0.00000
    140       3.0065      0.00000
    141       3.0573      0.00000
    142       3.1387      0.00000
    143       3.1689      0.00000
    144       3.2585      0.00000
    145       3.3059      0.00000
    146       3.3439      0.00000
    147       3.3547      0.00000
    148       3.3903      0.00000
    149       3.4244      0.00000
    150       3.5137      0.00000
    151       3.5642      0.00000
    152       3.6253      0.00000
    153       3.6530      0.00000
    154       3.7020      0.00000
    155       3.7282      0.00000
    156       3.9349      0.00000
    157       3.9483      0.00000
    158       4.0773      0.00000
    159       4.1196      0.00000
    160       4.2288      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2430      1.00000
      2     -21.8903      1.00000
      3     -21.8173      1.00000
      4     -21.3116      1.00000
      5     -21.2733      1.00000
      6     -20.7669      1.00000
      7     -20.6986      1.00000
      8     -20.5503      1.00000
      9     -20.0185      1.00000
     10     -19.9865      1.00000
     11     -19.6461      1.00000
     12     -19.6154      1.00000
     13     -18.9392      1.00000
     14     -18.9049      1.00000
     15     -18.5801      1.00000
     16     -18.5429      1.00000
     17     -18.3884      1.00000
     18     -17.5979      1.00000
     19     -17.5672      1.00000
     20     -17.5380      1.00000
     21     -17.5052      1.00000
     22     -17.0709      1.00000
     23     -17.0242      1.00000
     24     -16.8969      1.00000
     25     -15.9423      1.00000
     26     -15.8472      1.00000
     27     -15.5293      1.00000
     28     -15.5030      1.00000
     29     -15.2062      1.00000
     30     -14.8101      1.00000
     31     -14.7581      1.00000
     32     -14.5063      1.00000
     33     -14.4649      1.00000
     34     -14.0929      1.00000
     35     -14.0899      1.00000
     36     -13.1014      1.00000
     37     -13.0259      1.00000
     38     -12.9535      1.00000
     39     -12.9467      1.00000
     40     -12.6526      1.00000
     41     -12.6245      1.00000
     42     -12.2702      1.00000
     43     -12.2433      1.00000
     44     -11.5700      1.00000
     45     -11.5509      1.00000
     46     -11.4970      1.00000
     47     -10.8742      1.00000
     48     -10.8651      1.00000
     49     -10.6755      1.00000
     50     -10.5225      1.00000
     51     -10.5163      1.00000
     52     -10.4303      1.00000
     53     -10.4126      1.00000
     54     -10.3673      1.00000
     55     -10.2848      1.00000
     56     -10.0559      1.00000
     57      -9.8289      1.00000
     58      -9.5551      1.00000
     59      -9.4816      1.00000
     60      -9.4396      1.00000
     61      -9.3527      1.00000
     62      -9.3363      1.00000
     63      -9.3049      1.00000
     64      -9.2991      1.00000
     65      -9.2029      1.00000
     66      -9.0969      1.00000
     67      -9.0662      1.00000
     68      -9.0462      1.00000
     69      -8.8448      1.00000
     70      -8.7939      1.00000
     71      -8.7744      1.00000
     72      -8.5238      1.00000
     73      -8.4915      1.00000
     74      -8.2200      1.00000
     75      -8.1265      1.00000
     76      -8.0903      1.00000
     77      -7.8039      1.00000
     78      -7.7650      1.00000
     79      -7.7369      1.00000
     80      -7.6987      1.00000
     81      -7.6335      1.00000
     82      -7.6221      1.00000
     83      -7.3875      1.00000
     84      -7.3428      1.00000
     85      -7.2250      1.00000
     86      -6.8411      1.00000
     87      -6.8191      1.00000
     88      -6.6350      1.00000
     89      -6.5272      1.00000
     90      -6.3395      1.00000
     91      -6.2702      1.00000
     92      -6.1929      1.00000
     93      -6.1300      1.00000
     94      -6.0174      1.00000
     95      -5.6317      1.00000
     96      -5.5059      1.00000
     97      -5.2958      1.00000
     98      -5.1544      1.00000
     99      -5.0372      1.00000
    100      -4.7231      1.00000
    101      -4.6839      1.00000
    102      -4.3680      1.00000
    103      -4.1828      1.00000
    104      -4.0070      1.00000
    105      -3.8190      1.00000
    106      -3.4836      1.00000
    107      -2.1644      0.00000
    108      -1.3831      0.00000
    109      -1.2354      0.00000
    110      -1.1852      0.00000
    111      -1.0144      0.00000
    112      -0.9555      0.00000
    113      -0.7971      0.00000
    114      -0.7519      0.00000
    115      -0.3706      0.00000
    116       0.2447      0.00000
    117       0.2763      0.00000
    118       0.3635      0.00000
    119       0.7125      0.00000
    120       0.8697      0.00000
    121       0.9658      0.00000
    122       1.1353      0.00000
    123       1.2488      0.00000
    124       1.4621      0.00000
    125       1.5886      0.00000
    126       1.7848      0.00000
    127       1.8466      0.00000
    128       1.8723      0.00000
    129       2.0042      0.00000
    130       2.0439      0.00000
    131       2.1825      0.00000
    132       2.2378      0.00000
    133       2.3982      0.00000
    134       2.4263      0.00000
    135       2.5067      0.00000
    136       2.6601      0.00000
    137       2.6847      0.00000
    138       2.7456      0.00000
    139       2.7850      0.00000
    140       2.8779      0.00000
    141       2.9915      0.00000
    142       3.0963      0.00000
    143       3.1558      0.00000
    144       3.2070      0.00000
    145       3.2669      0.00000
    146       3.3019      0.00000
    147       3.3430      0.00000
    148       3.4964      0.00000
    149       3.5392      0.00000
    150       3.7191      0.00000
    151       3.7405      0.00000
    152       3.7711      0.00000
    153       3.8666      0.00000
    154       3.8820      0.00000
    155       3.9081      0.00000
    156       3.9663      0.00000
    157       4.0109      0.00000
    158       4.0439      0.00000
    159       4.0473      0.00000
    160       4.0944      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3150      1.00000
      2     -21.7568      1.00000
      3     -21.5633      1.00000
      4     -21.5365      1.00000
      5     -21.2004      1.00000
      6     -21.1620      1.00000
      7     -20.9816      1.00000
      8     -20.0942      1.00000
      9     -20.0560      1.00000
     10     -19.5424      1.00000
     11     -19.5220      1.00000
     12     -19.3410      1.00000
     13     -19.0240      1.00000
     14     -18.9842      1.00000
     15     -18.9739      1.00000
     16     -18.9680      1.00000
     17     -18.2925      1.00000
     18     -18.2786      1.00000
     19     -17.9428      1.00000
     20     -16.9967      1.00000
     21     -16.9566      1.00000
     22     -16.8797      1.00000
     23     -16.8665      1.00000
     24     -16.4125      1.00000
     25     -16.3904      1.00000
     26     -15.5370      1.00000
     27     -15.5339      1.00000
     28     -15.1693      1.00000
     29     -15.1684      1.00000
     30     -15.1272      1.00000
     31     -15.0330      1.00000
     32     -14.9976      1.00000
     33     -14.6298      1.00000
     34     -14.6233      1.00000
     35     -13.6594      1.00000
     36     -13.6501      1.00000
     37     -13.1679      1.00000
     38     -12.5697      1.00000
     39     -12.5105      1.00000
     40     -12.3818      1.00000
     41     -12.3817      1.00000
     42     -12.0325      1.00000
     43     -12.0290      1.00000
     44     -11.6512      1.00000
     45     -11.6115      1.00000
     46     -11.2029      1.00000
     47     -11.1544      1.00000
     48     -10.9519      1.00000
     49     -10.9389      1.00000
     50     -10.8569      1.00000
     51     -10.8251      1.00000
     52     -10.6177      1.00000
     53     -10.1423      1.00000
     54     -10.0812      1.00000
     55     -10.0221      1.00000
     56      -9.9408      1.00000
     57      -9.6281      1.00000
     58      -9.6263      1.00000
     59      -9.5997      1.00000
     60      -9.5378      1.00000
     61      -9.5010      1.00000
     62      -9.4762      1.00000
     63      -9.2684      1.00000
     64      -9.2326      1.00000
     65      -9.2037      1.00000
     66      -9.1767      1.00000
     67      -9.0594      1.00000
     68      -9.0442      1.00000
     69      -9.0406      1.00000
     70      -8.8739      1.00000
     71      -8.8059      1.00000
     72      -8.5306      1.00000
     73      -8.5299      1.00000
     74      -8.4917      1.00000
     75      -8.0286      1.00000
     76      -7.8295      1.00000
     77      -7.7947      1.00000
     78      -7.7716      1.00000
     79      -7.7010      1.00000
     80      -7.6821      1.00000
     81      -7.4183      1.00000
     82      -7.2855      1.00000
     83      -7.2492      1.00000
     84      -7.1997      1.00000
     85      -7.0779      1.00000
     86      -7.0777      1.00000
     87      -6.9364      1.00000
     88      -6.7073      1.00000
     89      -6.6715      1.00000
     90      -6.6269      1.00000
     91      -6.5555      1.00000
     92      -6.0694      1.00000
     93      -6.0290      1.00000
     94      -5.9988      1.00000
     95      -5.9356      1.00000
     96      -5.7966      1.00000
     97      -5.1759      1.00000
     98      -4.8914      1.00000
     99      -4.7903      1.00000
    100      -4.6095      1.00000
    101      -4.5115      1.00000
    102      -4.1378      1.00000
    103      -4.0905      1.00000
    104      -3.9304      1.00000
    105      -3.9156      1.00000
    106      -3.8184      1.00000
    107      -1.7513      0.00000
    108      -1.6965      0.00000
    109      -1.4098      0.00000
    110      -1.3712      0.00000
    111      -1.2643      0.00000
    112      -1.2351      0.00000
    113      -0.6277      0.00000
    114      -0.5983      0.00000
    115      -0.1898      0.00000
    116       0.0391      0.00000
    117       0.5945      0.00000
    118       0.7437      0.00000
    119       0.8486      0.00000
    120       0.9299      0.00000
    121       1.1673      0.00000
    122       1.2168      0.00000
    123       1.2506      0.00000
    124       1.4423      0.00000
    125       1.6044      0.00000
    126       1.6543      0.00000
    127       1.7201      0.00000
    128       1.7824      0.00000
    129       1.9183      0.00000
    130       1.9388      0.00000
    131       2.1511      0.00000
    132       2.1904      0.00000
    133       2.2685      0.00000
    134       2.3277      0.00000
    135       2.5624      0.00000
    136       2.5947      0.00000
    137       2.5969      0.00000
    138       2.7691      0.00000
    139       2.7968      0.00000
    140       2.8008      0.00000
    141       2.8938      0.00000
    142       2.9179      0.00000
    143       3.0338      0.00000
    144       3.0571      0.00000
    145       3.1239      0.00000
    146       3.3104      0.00000
    147       3.3219      0.00000
    148       3.3874      0.00000
    149       3.4894      0.00000
    150       3.5855      0.00000
    151       3.6529      0.00000
    152       3.6652      0.00000
    153       3.6855      0.00000
    154       3.9103      0.00000
    155       3.9839      0.00000
    156       4.0220      0.00000
    157       4.0942      0.00000
    158       4.2551      0.00000
    159       4.2655      0.00000
    160       4.2746      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1360      1.00000
      2     -22.0437      1.00000
      3     -21.8818      1.00000
      4     -21.3311      1.00000
      5     -20.9723      1.00000
      6     -20.9432      1.00000
      7     -20.4236      1.00000
      8     -20.3920      1.00000
      9     -20.2118      1.00000
     10     -20.2105      1.00000
     11     -19.8839      1.00000
     12     -19.8200      1.00000
     13     -18.8139      1.00000
     14     -18.7431      1.00000
     15     -18.2619      1.00000
     16     -18.2482      1.00000
     17     -18.0766      1.00000
     18     -18.0703      1.00000
     19     -17.7421      1.00000
     20     -17.7269      1.00000
     21     -17.1915      1.00000
     22     -17.1687      1.00000
     23     -17.0860      1.00000
     24     -17.0645      1.00000
     25     -16.0498      1.00000
     26     -15.8047      1.00000
     27     -15.7952      1.00000
     28     -15.7746      1.00000
     29     -15.1566      1.00000
     30     -14.4822      1.00000
     31     -14.4610      1.00000
     32     -14.2017      1.00000
     33     -13.9134      1.00000
     34     -13.8832      1.00000
     35     -13.7566      1.00000
     36     -13.7356      1.00000
     37     -13.5330      1.00000
     38     -13.5077      1.00000
     39     -13.2971      1.00000
     40     -12.5725      1.00000
     41     -12.0982      1.00000
     42     -12.0746      1.00000
     43     -11.9950      1.00000
     44     -11.9473      1.00000
     45     -11.6026      1.00000
     46     -11.5953      1.00000
     47     -11.0810      1.00000
     48     -11.0589      1.00000
     49     -10.7286      1.00000
     50     -10.6613      1.00000
     51     -10.5502      1.00000
     52     -10.1368      1.00000
     53     -10.1321      1.00000
     54     -10.0975      1.00000
     55      -9.9633      1.00000
     56      -9.9222      1.00000
     57      -9.9184      1.00000
     58      -9.7476      1.00000
     59      -9.7264      1.00000
     60      -9.6946      1.00000
     61      -9.6928      1.00000
     62      -9.3956      1.00000
     63      -9.3863      1.00000
     64      -9.0640      1.00000
     65      -8.9788      1.00000
     66      -8.9785      1.00000
     67      -8.9035      1.00000
     68      -8.8091      1.00000
     69      -8.6463      1.00000
     70      -8.6316      1.00000
     71      -8.5411      1.00000
     72      -8.4991      1.00000
     73      -8.4799      1.00000
     74      -8.3922      1.00000
     75      -8.3798      1.00000
     76      -8.2061      1.00000
     77      -8.0972      1.00000
     78      -8.0042      1.00000
     79      -7.8978      1.00000
     80      -7.8397      1.00000
     81      -7.6185      1.00000
     82      -7.5308      1.00000
     83      -7.4546      1.00000
     84      -7.2629      1.00000
     85      -6.9406      1.00000
     86      -6.8667      1.00000
     87      -6.8083      1.00000
     88      -6.4761      1.00000
     89      -6.4664      1.00000
     90      -6.4078      1.00000
     91      -6.3571      1.00000
     92      -6.1819      1.00000
     93      -5.8558      1.00000
     94      -5.7360      1.00000
     95      -5.7091      1.00000
     96      -5.5189      1.00000
     97      -5.3269      1.00000
     98      -5.1706      1.00000
     99      -5.1662      1.00000
    100      -5.1321      1.00000
    101      -4.6943      1.00000
    102      -4.3490      1.00000
    103      -4.2765      1.00000
    104      -4.0266      1.00000
    105      -3.8204      1.00000
    106      -3.2323      1.00000
    107      -2.4054      0.00000
    108      -1.3450      0.00000
    109      -1.2433      0.00000
    110      -1.1536      0.00000
    111      -1.1084      0.00000
    112      -0.5851      0.00000
    113      -0.5220      0.00000
    114      -0.4336      0.00000
    115      -0.2748      0.00000
    116      -0.0734      0.00000
    117      -0.0125      0.00000
    118       0.0602      0.00000
    119       0.5840      0.00000
    120       0.7099      0.00000
    121       0.8212      0.00000
    122       0.9552      0.00000
    123       1.1958      0.00000
    124       1.5328      0.00000
    125       1.6324      0.00000
    126       1.8872      0.00000
    127       2.0260      0.00000
    128       2.0623      0.00000
    129       2.0909      0.00000
    130       2.1406      0.00000
    131       2.2268      0.00000
    132       2.2871      0.00000
    133       2.3376      0.00000
    134       2.4281      0.00000
    135       2.6114      0.00000
    136       2.7164      0.00000
    137       2.8506      0.00000
    138       2.9140      0.00000
    139       2.9455      0.00000
    140       3.0264      0.00000
    141       3.0615      0.00000
    142       3.1272      0.00000
    143       3.1776      0.00000
    144       3.2320      0.00000
    145       3.3100      0.00000
    146       3.3233      0.00000
    147       3.3633      0.00000
    148       3.3819      0.00000
    149       3.4381      0.00000
    150       3.4591      0.00000
    151       3.5667      0.00000
    152       3.6134      0.00000
    153       3.6562      0.00000
    154       3.7006      0.00000
    155       3.8726      0.00000
    156       3.9154      0.00000
    157       3.9482      0.00000
    158       3.9698      0.00000
    159       4.1831      0.00000
    160       4.2082      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2090      1.00000
      2     -22.0039      1.00000
      3     -21.6419      1.00000
      4     -21.6110      1.00000
      5     -20.9054      1.00000
      6     -20.8653      1.00000
      7     -20.5349      1.00000
      8     -20.5028      1.00000
      9     -20.4960      1.00000
     10     -19.9586      1.00000
     11     -19.4372      1.00000
     12     -19.4150      1.00000
     13     -19.2366      1.00000
     14     -19.2288      1.00000
     15     -18.3724      1.00000
     16     -18.3377      1.00000
     17     -17.8555      1.00000
     18     -17.8392      1.00000
     19     -17.6878      1.00000
     20     -17.6523      1.00000
     21     -17.3694      1.00000
     22     -17.3546      1.00000
     23     -17.2644      1.00000
     24     -16.4100      1.00000
     25     -16.3871      1.00000
     26     -15.9009      1.00000
     27     -15.3400      1.00000
     28     -15.3354      1.00000
     29     -15.0276      1.00000
     30     -15.0183      1.00000
     31     -14.7734      1.00000
     32     -14.7720      1.00000
     33     -14.2344      1.00000
     34     -14.1840      1.00000
     35     -13.3845      1.00000
     36     -13.3307      1.00000
     37     -13.1080      1.00000
     38     -13.1005      1.00000
     39     -12.9141      1.00000
     40     -12.9081      1.00000
     41     -12.5425      1.00000
     42     -12.5354      1.00000
     43     -12.1307      1.00000
     44     -11.5102      1.00000
     45     -11.4663      1.00000
     46     -11.2412      1.00000
     47     -11.2101      1.00000
     48     -11.0835      1.00000
     49     -10.6995      1.00000
     50     -10.5929      1.00000
     51     -10.5042      1.00000
     52     -10.2485      1.00000
     53     -10.2446      1.00000
     54     -10.1177      1.00000
     55     -10.0515      1.00000
     56     -10.0366      1.00000
     57      -9.7808      1.00000
     58      -9.6844      1.00000
     59      -9.6704      1.00000
     60      -9.6348      1.00000
     61      -9.6255      1.00000
     62      -9.5829      1.00000
     63      -9.2926      1.00000
     64      -9.2809      1.00000
     65      -9.2503      1.00000
     66      -9.0573      1.00000
     67      -8.8922      1.00000
     68      -8.8812      1.00000
     69      -8.7159      1.00000
     70      -8.5750      1.00000
     71      -8.5236      1.00000
     72      -8.3475      1.00000
     73      -8.3024      1.00000
     74      -8.2408      1.00000
     75      -8.2354      1.00000
     76      -8.1921      1.00000
     77      -8.1800      1.00000
     78      -8.1674      1.00000
     79      -8.0998      1.00000
     80      -7.6861      1.00000
     81      -7.4234      1.00000
     82      -7.3410      1.00000
     83      -7.2576      1.00000
     84      -7.1667      1.00000
     85      -7.1074      1.00000
     86      -7.0041      1.00000
     87      -6.9016      1.00000
     88      -6.8473      1.00000
     89      -6.5401      1.00000
     90      -6.4966      1.00000
     91      -6.2046      1.00000
     92      -6.1999      1.00000
     93      -5.8925      1.00000
     94      -5.6704      1.00000
     95      -5.6042      1.00000
     96      -5.5779      1.00000
     97      -5.2519      1.00000
     98      -5.2290      1.00000
     99      -5.1633      1.00000
    100      -5.1328      1.00000
    101      -4.5988      1.00000
    102      -4.2470      1.00000
    103      -4.0429      1.00000
    104      -3.8835      1.00000
    105      -3.8357      1.00000
    106      -3.7975      1.00000
    107      -1.8075      0.00000
    108      -1.7814      0.00000
    109      -1.2255      0.00000
    110      -1.1750      0.00000
    111      -0.9739      0.00000
    112      -0.7349      0.00000
    113      -0.6500      0.00000
    114      -0.5939      0.00000
    115      -0.5492      0.00000
    116      -0.1585      0.00000
    117       0.1758      0.00000
    118       0.2881      0.00000
    119       0.7177      0.00000
    120       0.9601      0.00000
    121       1.1713      0.00000
    122       1.2772      0.00000
    123       1.3580      0.00000
    124       1.5270      0.00000
    125       1.6187      0.00000
    126       1.6391      0.00000
    127       1.6956      0.00000
    128       1.7829      0.00000
    129       1.8776      0.00000
    130       2.0403      0.00000
    131       2.1705      0.00000
    132       2.2837      0.00000
    133       2.4216      0.00000
    134       2.4259      0.00000
    135       2.5783      0.00000
    136       2.6422      0.00000
    137       2.6965      0.00000
    138       2.6985      0.00000
    139       2.7750      0.00000
    140       2.9172      0.00000
    141       3.0636      0.00000
    142       3.0759      0.00000
    143       3.2057      0.00000
    144       3.2928      0.00000
    145       3.4087      0.00000
    146       3.4243      0.00000
    147       3.4675      0.00000
    148       3.5526      0.00000
    149       3.5933      0.00000
    150       3.6421      0.00000
    151       3.6761      0.00000
    152       3.7009      0.00000
    153       3.7553      0.00000
    154       3.7613      0.00000
    155       3.8449      0.00000
    156       3.9170      0.00000
    157       3.9174      0.00000
    158       3.9823      0.00000
    159       4.2039      0.00000
    160       4.2401      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0416   -7.2591    3.9825   -1.1306   -0.1846   17.3742    0.4909   -0.8153    0.7701   -0.4752
x    -3.1261   -0.0250   -0.0202   -0.0270    0.0915   -3.0546    0.0307   -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   204.0416    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0035    0.0000    0.0003    0.0007    0.0029   -0.0986   -0.0317    0.0611    0.0193
y     0.0234   -3.2419   -0.1778    0.1688   -2.4214   -0.6652
z   204.0416    1.7501    0.2905    0.0884    0.0009    0.0706   -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    0.0983    0.0006   -0.0010   -0.0001   -0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0012   -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  -16.5722
z     0.1471    0.2348   -0.0298    0.0566   -0.0953    0.0006
 total charge-density along one line
x   212.0000  -10.0899    5.9291   -1.9394   -0.4201   19.2925   -0.6589    0.2075    0.0645   -0.1039
x    -2.7068   -0.0086    0.0024   -0.0463    0.0978   -2.3460    0.0480   -0.0342    0.0116    0.0024
x    -0.0853   -0.0056    0.0084   -0.0079    0.0052   -0.0374    0.0000   -0.0001    0.0004   -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  -10.0899    5.9291   -1.9394   -0.4201   19.2925   -0.6589    0.2075    0.0645   -0.1039
y    -2.7068   -0.0086    0.0024   -0.0463    0.0978   -2.3460    0.0480   -0.0342    0.0116    0.0024
y    -0.0853   -0.0056    0.0084   -0.0079    0.0052   -0.0374    0.0000   -0.0001    0.0004   -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 -205.3170  188.8906 -170.1528  154.0051 -140.2654  126.3327 -110.8463   94.5736  -78.9081
z    64.5535  -51.6394   40.4184  -31.3623   24.6271  -19.7025   15.7283  -12.1182    8.8421   -6.1694
z     4.2428   -2.9177    1.9324   -1.1364    0.5328   -0.1504   -0.0633    0.2161   -0.3714    0.5042
z    -0.5566    0.5162   -0.4322    0.3650   -0.3340    0.3162   -0.2844    0.2365   -0.1895    0.1564
z    -0.1345    0.1142   -0.0917    0.0711   -0.0574    0.0498   -0.0439    0.0368   -0.0294    0.0239
z    -0.0207    0.0185   -0.0159    0.0129   -0.0103    0.0084   -0.0068    0.0052   -0.0038    0.0028
z    -0.0020    0.0012   -0.0004   -0.0002    0.0004   -0.0004    0.0004   -0.0006    0.0007   -0.0006
z     0.0004   -0.0002    0.0001    0.0000    0.0000    0.0001   -0.0002    0.0003   -0.0003    0.0003
z    -0.0002    0.0002   -0.0002    0.0001   -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0000   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.938   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   0.002
  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   0.042   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   0.002
  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  -0.149   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  -0.149   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  -0.035   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   0.064   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   0.109   0.000   0.000   0.000   0.058   0.000   0.066  -0.011
  0.058   0.000   0.351   0.000  -0.035   0.102   0.000   0.554   0.000  -0.058   0.696  -0.289   0.000   0.087   0.000   0.000
  0.000   0.262   0.000   0.293   0.000   0.000   0.109   0.000   0.205   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   0.696   0.000  -0.111   1.352  -0.431   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  -0.431   0.190   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   0.043   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   0.268  -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  -0.018   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  -0.006   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   8.940
  2        0.514   0.028   0.000   0.542
  3        0.514   0.028   0.000   0.542
  4        0.864   1.782   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   1.782   0.000   2.646
 10        0.864   1.783   0.000   2.647
 11        0.863   1.782   0.000   2.645
 12        0.863   1.784   0.000   2.648
 13        0.864   1.782   0.000   2.646
 14        0.864   1.783   0.000   2.647
 15        0.864   1.783   0.000   2.647
 16        0.863   1.777   0.000   2.640
 17        0.856   1.772   0.000   2.628
 18        0.863   1.783   0.000   2.647
 19        0.864   1.782   0.000   2.645
 20        0.863   1.781   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   1.782   0.000   2.646
 25        0.863   1.782   0.000   2.646
 26        0.863   1.782   0.000   2.645
 27        0.864   1.783   0.000   2.647
 28        0.864   1.783   0.000   2.647
 29        0.864   1.782   0.000   2.646
 30        0.864   1.783   0.000   2.647
 31        0.864   1.783   0.000   2.647
 32        0.863   1.782   0.000   2.645
 33        0.863   1.782   0.000   2.646
 34        0.864   1.782   0.000   2.645
 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        0.863   1.781   0.000   2.645
 39        0.864   1.783   0.000   2.647
 40        0.863   1.783   0.000   2.647
 41        0.856   1.772   0.000   2.628
 42        0.863   1.777   0.000   2.640
 43        0.864   1.783   0.000   2.647
 44        0.864   1.782   0.000   2.646
 45        0.864   1.782   0.000   2.646
 46        0.863   1.784   0.000   2.647
 47        0.863   1.782   0.000   2.645
 48        0.864   1.783   0.000   2.647
 49        0.864   1.782   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  89.412   8.027 142.267
 


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


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


    CHARGE:  VPU time  113.69: CPU time   57.38
    FORLOC:  VPU time    1.26: CPU time    1.26
    FORNL :  VPU time  441.14: CPU time  221.64
    STRESS:  VPU time 1358.66: CPU time  683.97
    FORCOR:  VPU time    7.45: CPU time    7.45
    FORHAR:  VPU time    2.00: CPU time    2.00
    MIXING:  VPU time    0.14: CPU time    0.14
 d Force =-0.1039753E-05[-0.124E-04, 0.103E-04]  d Energy =-0.1783557E-04 0.168E-04
 d Force = 0.9991260E+00[ 0.999E+00, 0.999E+00]  d Ewald  = 0.8417832E+01-0.742E+01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.645152 eV

  energy  without entropy=     -471.645152  energy(sigma->0) =     -471.645152
 

  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    40696.58  40713.02 -47395.79     14.24      0.00      0.00
  Hartree  40162.98  40166.28 -39415.77      2.85      0.00      0.00
  E(xc)     -779.69   -779.50   -807.22      0.17      0.00      0.00
  Local   -83152.84 -83166.33  84128.90    -11.68      0.00      0.00
  n-local   -215.72   -215.65   -203.81     -0.19      0.00      0.00
  augment     22.11     20.53     17.38     -1.37      0.00      0.00
  Kinetic   3168.27   3170.90   3581.78     -6.18      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.61     -0.58     -0.60      0.02      0.00      0.00
  in kB       -0.37     -0.35     -0.36      0.01      0.00      0.00
  external pressure =       -0.36 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
    12.348926688  0.001530663  0.000000000     0.080972905  0.046736416  0.000000000
    -6.173144394 10.695245376  0.000000000    -0.000011589  0.093492802  0.000000000
     0.000000000  0.000000000 19.972569113     0.000000000  0.000000000  0.050068671

  length of vectors
    12.348926783 12.348926486 19.972569113     0.093492801  0.093492803  0.050068671


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.348E-05 -.460E-04 -.959E+03   0.427E-05 -.273E-04 0.967E+03   -.169E-20 0.170E-20 -.796E+01   -.125E-06 0.714E-07 0.158E-01
   -.176E+02 -.305E+02 -.136E+03   0.184E+02 0.320E+02 0.138E+03   -.833E+00 -.144E+01 -.258E+01   -.151E-03 -.262E-03 -.223E-02
   0.176E+02 0.305E+02 -.136E+03   -.184E+02 -.320E+02 0.138E+03   0.833E+00 0.144E+01 -.258E+01   0.151E-03 0.262E-03 -.223E-02
   -.196E+01 0.113E+01 0.182E+02   0.197E+01 -.114E+01 -.182E+02   -.103E-01 0.593E-02 0.153E-02   -.163E-03 0.910E-04 0.436E-02
   0.579E+01 0.683E+01 0.207E+02   -.580E+01 -.687E+01 -.206E+02   0.530E-02 0.345E-01 -.163E-01   -.927E-03 0.458E-03 0.323E-02
   0.112E+02 0.504E+01 0.185E+02   -.113E+02 -.505E+01 -.184E+02   0.238E-01 0.839E-02 -.528E-01   -.116E-02 -.201E-03 0.785E-03
   0.448E+01 -.102E+01 0.164E+02   -.450E+01 0.104E+01 -.164E+02   0.225E-01 -.153E-01 0.824E-03   0.130E-02 0.115E-02 0.139E-02
   -.294E+01 -.237E+01 0.153E+02   0.295E+01 0.238E+01 -.153E+02   -.133E-01 -.156E-01 0.122E-02   0.937E-03 -.135E-02 0.125E-02
   0.581E+00 0.372E+01 0.153E+02   -.584E+00 -.375E+01 -.153E+02   0.688E-02 0.193E-01 0.122E-02   0.163E-02 -.142E-03 0.125E-02
   0.273E+01 0.181E+02 0.247E+02   -.274E+01 -.182E+02 -.247E+02   0.105E-01 0.108E+00 -.104E-01   -.343E-03 -.108E-02 0.170E-02
   0.213E+02 0.225E+02 0.393E+02   -.215E+02 -.227E+02 -.393E+02   0.118E+00 0.226E+00 -.185E-01   -.118E-02 -.185E-02 0.209E-02
   0.264E+02 -.449E+01 0.265E+02   -.267E+02 0.461E+01 -.264E+02   0.232E+00 -.116E+00 -.595E-01   -.262E-02 0.108E-02 0.180E-02
   0.913E+01 -.527E+01 0.155E+02   -.915E+01 0.528E+01 -.155E+02   0.181E-01 -.105E-01 0.675E-02   0.380E-03 -.226E-03 0.126E-02
   0.313E+01 -.337E+01 0.164E+02   -.315E+01 0.337E+01 -.164E+02   0.245E-01 -.118E-01 0.824E-03   -.349E-03 -.171E-02 0.138E-02
   -.607E+01 0.131E+02 0.198E+02   0.607E+01 -.132E+02 -.198E+02   -.552E-02 0.748E-01 -.132E-01   0.124E-02 -.689E-04 0.110E-02
   -.122E+02 0.333E+02 0.454E+02   0.123E+02 -.340E+02 -.457E+02   -.910E-01 0.674E+00 0.350E+00   0.856E-03 -.264E-02 -.415E-03
   0.262E+02 -.151E+02 0.682E+02   -.272E+02 0.157E+02 -.703E+02   0.963E+00 -.556E+00 0.207E+01   -.195E-02 0.112E-02 -.936E-02
   0.171E+02 -.207E+02 0.265E+02   -.173E+02 0.208E+02 -.264E+02   0.217E+00 -.143E+00 -.595E-01   -.225E-02 0.173E-02 0.180E-02
   0.125E+01 -.122E+02 0.185E+02   -.125E+01 0.123E+02 -.184E+02   0.464E-02 -.248E-01 -.528E-01   -.403E-03 0.110E-02 0.779E-03
   -.387E+01 0.157E+01 0.144E+02   0.388E+01 -.158E+01 -.144E+02   -.425E-02 0.626E-03 -.438E-01   0.326E-03 -.156E-02 0.750E-03
   -.181E+02 0.105E+02 0.206E+02   0.182E+02 -.105E+02 -.205E+02   -.667E-01 0.385E-01 -.126E+00   0.693E-03 -.397E-03 0.233E-02
   -.350E+02 -.609E+01 0.454E+02   0.356E+02 0.635E+01 -.457E+02   -.629E+00 -.258E+00 0.350E+00   0.272E-02 0.580E-03 -.412E-03
   -.882E+01 -.297E+02 0.393E+02   0.896E+01 0.300E+02 -.393E+02   -.137E+00 -.216E+00 -.185E-01   0.101E-02 0.194E-02 0.209E-02
   -.302E+01 -.843E+01 0.207E+02   0.305E+01 0.846E+01 -.206E+02   -.272E-01 -.218E-01 -.163E-01   -.858E-03 0.572E-03 0.323E-02
   0.128E+01 -.737E+00 0.153E+02   -.128E+01 0.736E+00 -.152E+02   -.153E-02 0.884E-03 -.335E-01   -.444E-03 0.259E-03 0.295E-02
   -.330E+01 0.257E+01 0.144E+02   0.330E+01 -.257E+01 -.144E+02   -.267E-02 0.337E-02 -.438E-01   0.151E-02 0.501E-03 0.755E-03
   -.144E+02 -.131E+01 0.198E+02   0.145E+02 0.134E+01 -.198E+02   -.676E-01 -.326E-01 -.132E-01   0.681E-03 -.104E-02 0.111E-02
   -.143E+02 -.114E+02 0.247E+02   0.144E+02 0.115E+02 -.247E+02   -.886E-01 -.633E-01 -.104E-01   0.767E-03 0.832E-03 0.170E-02
   0.302E+01 0.843E+01 0.207E+02   -.305E+01 -.846E+01 -.206E+02   0.272E-01 0.218E-01 -.163E-01   0.858E-03 -.572E-03 0.323E-02
   0.143E+02 0.114E+02 0.247E+02   -.144E+02 -.115E+02 -.247E+02   0.886E-01 0.633E-01 -.104E-01   -.767E-03 -.832E-03 0.170E-02
   0.144E+02 0.131E+01 0.198E+02   -.145E+02 -.134E+01 -.198E+02   0.676E-01 0.326E-01 -.132E-01   -.681E-03 0.104E-02 0.111E-02
   0.330E+01 -.257E+01 0.144E+02   -.330E+01 0.257E+01 -.144E+02   0.267E-02 -.337E-02 -.438E-01   -.151E-02 -.501E-03 0.755E-03
   -.128E+01 0.737E+00 0.153E+02   0.128E+01 -.736E+00 -.152E+02   0.153E-02 -.884E-03 -.335E-01   0.444E-03 -.259E-03 0.295E-02
   -.125E+01 0.122E+02 0.185E+02   0.125E+01 -.123E+02 -.184E+02   -.464E-02 0.248E-01 -.528E-01   0.403E-03 -.110E-02 0.779E-03
   0.882E+01 0.297E+02 0.393E+02   -.896E+01 -.300E+02 -.393E+02   0.137E+00 0.216E+00 -.185E-01   -.101E-02 -.194E-02 0.209E-02
   0.350E+02 0.609E+01 0.454E+02   -.356E+02 -.635E+01 -.457E+02   0.629E+00 0.258E+00 0.350E+00   -.272E-02 -.580E-03 -.412E-03
   0.181E+02 -.105E+02 0.206E+02   -.182E+02 0.105E+02 -.205E+02   0.667E-01 -.385E-01 -.126E+00   -.693E-03 0.397E-03 0.233E-02
   0.387E+01 -.157E+01 0.144E+02   -.388E+01 0.158E+01 -.144E+02   0.425E-02 -.626E-03 -.438E-01   -.326E-03 0.156E-02 0.750E-03
   -.313E+01 0.337E+01 0.164E+02   0.315E+01 -.337E+01 -.164E+02   -.245E-01 0.118E-01 0.824E-03   0.349E-03 0.171E-02 0.138E-02
   -.171E+02 0.207E+02 0.265E+02   0.173E+02 -.208E+02 -.264E+02   -.217E+00 0.143E+00 -.595E-01   0.225E-02 -.173E-02 0.180E-02
   -.262E+02 0.151E+02 0.682E+02   0.272E+02 -.157E+02 -.703E+02   -.963E+00 0.556E+00 0.207E+01   0.195E-02 -.112E-02 -.936E-02
   0.122E+02 -.333E+02 0.454E+02   -.123E+02 0.340E+02 -.457E+02   0.910E-01 -.674E+00 0.350E+00   -.856E-03 0.264E-02 -.415E-03
   0.607E+01 -.131E+02 0.198E+02   -.607E+01 0.132E+02 -.198E+02   0.552E-02 -.748E-01 -.132E-01   -.124E-02 0.689E-04 0.110E-02
   -.581E+00 -.372E+01 0.153E+02   0.584E+00 0.375E+01 -.153E+02   -.688E-02 -.193E-01 0.122E-02   -.163E-02 0.142E-03 0.125E-02
   -.913E+01 0.527E+01 0.155E+02   0.915E+01 -.528E+01 -.155E+02   -.181E-01 0.105E-01 0.675E-02   -.380E-03 0.226E-03 0.126E-02
   -.264E+02 0.449E+01 0.265E+02   0.267E+02 -.461E+01 -.264E+02   -.232E+00 0.116E+00 -.595E-01   0.262E-02 -.108E-02 0.180E-02
   -.213E+02 -.225E+02 0.393E+02   0.215E+02 0.227E+02 -.393E+02   -.118E+00 -.226E+00 -.185E-01   0.118E-02 0.185E-02 0.209E-02
   -.273E+01 -.181E+02 0.247E+02   0.274E+01 0.182E+02 -.247E+02   -.105E-01 -.108E+00 -.104E-01   0.343E-03 0.108E-02 0.170E-02
   0.196E+01 -.113E+01 0.182E+02   -.197E+01 0.114E+01 -.182E+02   0.103E-01 -.593E-02 0.153E-02   0.163E-03 -.910E-04 0.436E-02
   0.294E+01 0.237E+01 0.153E+02   -.295E+01 -.238E+01 -.153E+02   0.133E-01 0.156E-01 0.122E-02   -.937E-03 0.135E-02 0.125E-02
   -.448E+01 0.102E+01 0.164E+02   0.450E+01 -.104E+01 -.164E+02   -.225E-01 0.153E-01 0.824E-03   -.130E-02 -.115E-02 0.139E-02
   -.112E+02 -.504E+01 0.185E+02   0.113E+02 0.505E+01 -.184E+02   -.238E-01 -.839E-02 -.528E-01   0.116E-02 0.201E-03 0.784E-03
   -.579E+01 -.683E+01 0.207E+02   0.580E+01 0.687E+01 -.206E+02   -.530E-02 -.345E-01 -.163E-01   0.927E-03 -.458E-03 0.323E-02
 -----------------------------------------------------------------------------------------------
   -.183E-02 0.313E-03 0.865E+01   0.102E-12 0.227E-12 0.711E-13   -.328E-15 0.208E-15 -.873E+01   -.186E-06 0.107E-06 0.691E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85309      6.06130     12.32513         0.000000      0.000000     -0.029211
      2.26274      6.77084     13.64094         0.002688      0.004656      0.008970
      1.44344      5.35177     13.64094        -0.002688     -0.004656      0.008970
      0.00055     -0.00032      9.93290        -0.002315      0.001336      0.001636
     11.11357      2.13940      9.93551        -0.003618      0.003279     -0.000172
      9.87794      4.27917      9.95070        -0.001437     -0.001567      0.000762
      8.64428      6.41864      9.95058         0.008067      0.004408      0.002353
     -4.93697      8.55633      9.94451         0.004154     -0.004123     -0.001001
      2.47044     -0.00109      9.94451         0.005647     -0.001537     -0.001001
      1.23482      2.13642      9.95014         0.000592     -0.003705     -0.002398
     -0.00396      4.27534      9.98139         0.003769     -0.001431     -0.000841
     -1.23847      6.41649      9.98785        -0.005472      0.005387     -0.001430
     -2.46747      8.55577      9.95887         0.000587     -0.000339      0.001159
      4.93923      0.00129      9.95058         0.000216     -0.009190      0.002353
      3.70520      2.13670      9.95930         0.002170      0.001486     -0.001854
      2.47094      4.26364     10.02610        -0.000721     -0.000590      0.005725
      1.22853      6.42189     10.09900         0.004971     -0.002870      0.005470
     -0.00029      8.56107      9.98785        -0.007402      0.002045     -0.001430
      7.40889      0.00265      9.95070         0.000638      0.002028      0.000762
      6.17409      2.14025      9.95123         0.004477     -0.005950     -0.001464
      4.94092      4.27854      9.98167        -0.005980      0.003452      0.000460
      3.71884      6.42506     10.02610         0.000151      0.000920      0.005725
      2.47125      8.56254      9.98139         0.003124     -0.002548     -0.000841
      9.87980      0.00244      9.93551        -0.004649      0.001493     -0.000172
      8.64375      2.14071      9.93960        -0.000732      0.000423     -0.002448
      7.40932      4.27974      9.95123         0.007391     -0.000902     -0.001464
      6.17795      6.41963      9.95930        -0.000202     -0.002622     -0.001854
      4.94300      8.55918      9.95014         0.003505      0.001340     -0.002398
     -0.00048      1.42492      9.93551         0.004649     -0.001493     -0.000172
     -1.23683      3.56343      9.95014        -0.003505     -0.001340     -0.002398
     -2.47178      5.70298      9.95930         0.000202      0.002622     -0.001854
     -3.70315      7.84287      9.95123        -0.007391      0.000902     -0.001464
     -4.93758      9.98189      9.93960         0.000732     -0.000423     -0.002448
      2.47043      1.42471      9.95070        -0.000638     -0.002028      0.000762
      1.23492      3.56007      9.98139        -0.003124      0.002548     -0.000841
     -0.01267      5.69755     10.02610        -0.000151     -0.000920      0.005725
     -1.23475      7.84406      9.98167         0.005980     -0.003452      0.000460
     -2.46791      9.98236      9.95123        -0.004477      0.005950     -0.001464
      4.94009      1.42607      9.95058        -0.000216      0.009190      0.002353
      3.70646      3.56153      9.98785         0.007402     -0.002045     -0.001430
      2.47764      5.70071     10.09900        -0.004971      0.002870      0.005470
      1.23523      7.85897     10.02610         0.000721      0.000590      0.005725
      0.00097      9.98590      9.95930        -0.002170     -0.001486     -0.001854
      7.40887      1.42845      9.94451        -0.005647      0.001537     -0.001001
      6.17364      3.56683      9.95887        -0.000587      0.000339      0.001159
      4.94464      5.70612      9.98785         0.005472     -0.005387     -0.001430
      3.71014      7.84727      9.98139        -0.003769      0.001431     -0.000841
      2.47135      9.98618      9.95014        -0.000592      0.003705     -0.002398
      9.87876      1.42768      9.93290         0.002315     -0.001336      0.001636
      8.64315      3.56628      9.94451        -0.004154      0.004123     -0.001001
      7.41082      5.70550      9.95058        -0.008067     -0.004408      0.002353
      6.17716      7.84497      9.95070         0.001437      0.001567      0.000762
      4.94153      9.98473      9.93551         0.003618     -0.003279     -0.000172
 -----------------------------------------------------------------------------------
    total drift:                               -0.001830      0.000313     -0.009029


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




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


    WAVPRE:  VPU time    1.88: CPU time    1.88
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.36: CPU time    1.36
    ORTHCH:  VPU time  183.74: CPU time   91.90
     LOOP+:  VPU time 5583.94: CPU time 2866.77


----------------------------------------- Iteration   26(   1)  ---------------------------------------


    POTLOK:  VPU time    8.99: CPU time    8.99
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1815.79: CPU time  934.48
 BZINTS: Fermi energy: -3.148422;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  113.57: CPU time   57.38
    MIXING:  VPU time    0.14: CPU time    0.14
    ------------------------------------------
      LOOP:  VPU time 1938.89: CPU time 1001.37

 eigenvalue-minimisations  :  6024
 total energy-change (2. order) :-0.4716452E+03  (-0.2092688E-03)
 number of electron  212.0000065 magnetization    0.0000000
 augmentation part     7.9593625 magnetization    0.0000001

 Broyden mixing:
  rms(total) = 0.89813E-03    rms(broyden)= 0.89763E-03
  rms(prec ) = 0.98400E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34018.55353295
  -1/2 Hartree   DENC   =    -40918.58365439
  -V(xc)+E(xc)   XCENC  =       726.54857261
  PAW double counting   =      4091.43678713    -4129.80261589
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.23762721
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64515120 eV

  energy without entropy =     -471.64515120  energy(sigma->0) =     -471.64515120


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




----------------------------------------- Iteration   26(   2)  ---------------------------------------


    POTLOK:  VPU time    9.03: CPU time    9.03
    SETDIJ:  VPU time    0.33: CPU time    0.34
    EDDAV :  VPU time 1369.20: CPU time  710.15
 BZINTS: Fermi energy: -3.148018;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1378.61: CPU time  719.55

 eigenvalue-minimisations  :  4008
 total energy-change (2. order) :-0.7408875E-05  (-0.3793448E-05)
 number of electron  212.0000065 magnetization    0.0000000
 augmentation part     7.9593625 magnetization    0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34018.55353295
  -1/2 Hartree   DENC   =    -40918.62287244
  -V(xc)+E(xc)   XCENC  =       726.55106727
  PAW double counting   =      4091.56253660    -4129.92940259
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.19987400
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64515861 eV

  energy without entropy =     -471.64515861  energy(sigma->0) =     -471.64515861


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




 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 -58.5310       2 -39.9750       3 -39.9750       4 -58.2470       5 -58.2514
       6 -58.2586       7 -58.2495       8 -58.2479       9 -58.2479      10 -58.2635
      11 -58.3180      12 -58.2949      13 -58.2524      14 -58.2495      15 -58.2605
      16 -58.4389      17 -58.7313      18 -58.2949      19 -58.2586      20 -58.2533
      21 -58.2801      22 -58.4390      23 -58.3180      24 -58.2514      25 -58.2463
      26 -58.2533      27 -58.2605      28 -58.2635      29 -58.2513      30 -58.2634
      31 -58.2604      32 -58.2532      33 -58.2462      34 -58.2585      35 -58.3179
      36 -58.4389      37 -58.2801      38 -58.2532      39 -58.2493      40 -58.2947
      41 -58.7312      42 -58.4389      43 -58.2604      44 -58.2478      45 -58.2523
      46 -58.2948      47 -58.3179      48 -58.2634      49 -58.2469      50 -58.2478
      51 -58.2494      52 -58.2585      53 -58.2513
 
 
 
 E-fermi :  -3.1480     XC(G=0):  -2.3373     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     -22.3552      1.00000
      2     -21.5344      1.00000
      3     -21.4062      1.00000
      4     -21.4055      1.00000
      5     -21.3742      1.00000
      6     -21.3653      1.00000
      7     -21.3578      1.00000
      8     -19.6446      1.00000
      9     -19.5716      1.00000
     10     -19.5645      1.00000
     11     -19.5583      1.00000
     12     -19.5400      1.00000
     13     -19.5373      1.00000
     14     -18.7273      1.00000
     15     -18.6792      1.00000
     16     -18.6716      1.00000
     17     -18.6582      1.00000
     18     -18.6432      1.00000
     19     -18.6416      1.00000
     20     -16.5855      1.00000
     21     -16.5266      1.00000
     22     -16.5243      1.00000
     23     -16.5117      1.00000
     24     -16.4874      1.00000
     25     -16.4855      1.00000
     26     -15.5580      1.00000
     27     -15.5260      1.00000
     28     -15.5253      1.00000
     29     -15.4995      1.00000
     30     -15.4945      1.00000
     31     -15.4891      1.00000
     32     -14.2060      1.00000
     33     -14.1802      1.00000
     34     -14.1676      1.00000
     35     -14.1655      1.00000
     36     -14.1600      1.00000
     37     -14.1490      1.00000
     38     -11.8828      1.00000
     39     -11.8088      1.00000
     40     -11.7929      1.00000
     41     -11.7926      1.00000
     42     -11.7894      1.00000
     43     -11.7837      1.00000
     44     -11.7046      1.00000
     45     -11.6986      1.00000
     46     -11.6726      1.00000
     47     -11.6581      1.00000
     48     -11.6579      1.00000
     49     -11.6509      1.00000
     50     -10.6687      1.00000
     51     -10.3290      1.00000
     52     -10.3212      1.00000
     53     -10.3057      1.00000
     54     -10.3044      1.00000
     55     -10.2915      1.00000
     56     -10.2785      1.00000
     57      -9.9217      1.00000
     58      -9.3717      1.00000
     59      -9.3589      1.00000
     60      -9.2998      1.00000
     61      -9.2918      1.00000
     62      -9.2849      1.00000
     63      -9.0918      1.00000
     64      -9.0550      1.00000
     65      -9.0501      1.00000
     66      -9.0273      1.00000
     67      -9.0080      1.00000
     68      -9.0027      1.00000
     69      -9.0014      1.00000
     70      -8.9957      1.00000
     71      -8.9930      1.00000
     72      -8.9735      1.00000
     73      -8.9658      1.00000
     74      -8.9556      1.00000
     75      -8.4865      1.00000
     76      -7.5171      1.00000
     77      -7.4115      1.00000
     78      -7.4114      1.00000
     79      -7.3968      1.00000
     80      -7.3845      1.00000
     81      -7.3654      1.00000
     82      -7.3426      1.00000
     83      -7.3123      1.00000
     84      -7.2661      1.00000
     85      -7.2063      1.00000
     86      -7.1801      1.00000
     87      -7.1799      1.00000
     88      -7.0808      1.00000
     89      -6.5063      1.00000
     90      -6.4605      1.00000
     91      -6.3546      1.00000
     92      -6.2943      1.00000
     93      -6.2884      1.00000
     94      -6.2871      1.00000
     95      -5.8986      1.00000
     96      -5.8865      1.00000
     97      -5.0401      1.00000
     98      -4.9356      1.00000
     99      -4.5360      1.00000
    100      -4.3419      1.00000
    101      -4.3192      1.00000
    102      -4.3180      1.00000
    103      -4.1180      1.00000
    104      -3.9126      1.00000
    105      -3.9023      1.00000
    106      -3.8243      1.00000
    107      -1.6829      0.00000
    108      -1.6696      0.00000
    109      -1.5384      0.00000
    110      -1.5365      0.00000
    111      -1.5252      0.00000
    112      -1.5111      0.00000
    113      -0.5901      0.00000
    114       0.1315      0.00000
    115       0.2049      0.00000
    116       0.3227      0.00000
    117       0.3241      0.00000
    118       0.3318      0.00000
    119       0.4918      0.00000
    120       0.6098      0.00000
    121       1.2611      0.00000
    122       1.2907      0.00000
    123       1.5431      0.00000
    124       1.7568      0.00000
    125       1.8173      0.00000
    126       1.8209      0.00000
    127       1.8265      0.00000
    128       1.9453      0.00000
    129       1.9928      0.00000
    130       2.0287      0.00000
    131       2.0427      0.00000
    132       2.0478      0.00000
    133       2.0556      0.00000
    134       2.0651      0.00000
    135       2.3183      0.00000
    136       2.3295      0.00000
    137       2.6509      0.00000
    138       2.6593      0.00000
    139       2.6913      0.00000
    140       2.7415      0.00000
    141       2.8896      0.00000
    142       2.9964      0.00000
    143       3.0168      0.00000
    144       3.0388      0.00000
    145       3.0409      0.00000
    146       3.0430      0.00000
    147       3.0911      0.00000
    148       3.2523      0.00000
    149       3.4414      0.00000
    150       3.5608      0.00000
    151       3.7836      0.00000
    152       3.9518      0.00000
    153       3.9677      0.00000
    154       3.9731      0.00000
    155       3.9749      0.00000
    156       4.0122      0.00000
    157       4.1895      0.00000
    158       4.2704      0.00000
    159       4.2940      0.00000
    160       4.2954      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3186      1.00000
      2     -21.7600      1.00000
      3     -21.5695      1.00000
      4     -21.5371      1.00000
      5     -21.2067      1.00000
      6     -21.1623      1.00000
      7     -20.9865      1.00000
      8     -20.1007      1.00000
      9     -20.0572      1.00000
     10     -19.5455      1.00000
     11     -19.5212      1.00000
     12     -19.3486      1.00000
     13     -19.0238      1.00000
     14     -18.9893      1.00000
     15     -18.9811      1.00000
     16     -18.9689      1.00000
     17     -18.2970      1.00000
     18     -18.2779      1.00000
     19     -17.9518      1.00000
     20     -17.0092      1.00000
     21     -16.9598      1.00000
     22     -16.8787      1.00000
     23     -16.8691      1.00000
     24     -16.4050      1.00000
     25     -16.3904      1.00000
     26     -15.5514      1.00000
     27     -15.5356      1.00000
     28     -15.1974      1.00000
     29     -15.1692      1.00000
     30     -15.1146      1.00000
     31     -15.0277      1.00000
     32     -15.0031      1.00000
     33     -14.6362      1.00000
     34     -14.6245      1.00000
     35     -13.6674      1.00000
     36     -13.6522      1.00000
     37     -13.1699      1.00000
     38     -12.5513      1.00000
     39     -12.5185      1.00000
     40     -12.3908      1.00000
     41     -12.3779      1.00000
     42     -12.0576      1.00000
     43     -12.0350      1.00000
     44     -11.6589      1.00000
     45     -11.6173      1.00000
     46     -11.1809      1.00000
     47     -11.1578      1.00000
     48     -10.9646      1.00000
     49     -10.9410      1.00000
     50     -10.8731      1.00000
     51     -10.8375      1.00000
     52     -10.5987      1.00000
     53     -10.0932      1.00000
     54     -10.0888      1.00000
     55     -10.0451      1.00000
     56      -9.9694      1.00000
     57      -9.6538      1.00000
     58      -9.6297      1.00000
     59      -9.5916      1.00000
     60      -9.5297      1.00000
     61      -9.5113      1.00000
     62      -9.4794      1.00000
     63      -9.2634      1.00000
     64      -9.2417      1.00000
     65      -9.2208      1.00000
     66      -9.1668      1.00000
     67      -9.0682      1.00000
     68      -9.0473      1.00000
     69      -9.0416      1.00000
     70      -8.8819      1.00000
     71      -8.8069      1.00000
     72      -8.5751      1.00000
     73      -8.5234      1.00000
     74      -8.4539      1.00000
     75      -8.0363      1.00000
     76      -7.8096      1.00000
     77      -7.8066      1.00000
     78      -7.7929      1.00000
     79      -7.7010      1.00000
     80      -7.6917      1.00000
     81      -7.3686      1.00000
     82      -7.2737      1.00000
     83      -7.2657      1.00000
     84      -7.2176      1.00000
     85      -7.1728      1.00000
     86      -7.0093      1.00000
     87      -6.9486      1.00000
     88      -6.7451      1.00000
     89      -6.6718      1.00000
     90      -6.5949      1.00000
     91      -6.5597      1.00000
     92      -6.0517      1.00000
     93      -6.0464      1.00000
     94      -6.0220      1.00000
     95      -5.9601      1.00000
     96      -5.7365      1.00000
     97      -5.1507      1.00000
     98      -4.9882      1.00000
     99      -4.7179      1.00000
    100      -4.6118      1.00000
    101      -4.4396      1.00000
    102      -4.3739      1.00000
    103      -4.1220      1.00000
    104      -3.8688      1.00000
    105      -3.8257      1.00000
    106      -3.7911      1.00000
    107      -1.7869      0.00000
    108      -1.7403      0.00000
    109      -1.3961      0.00000
    110      -1.3476      0.00000
    111      -1.2667      0.00000
    112      -1.2278      0.00000
    113      -0.7479      0.00000
    114      -0.3824      0.00000
    115      -0.2223      0.00000
    116      -0.0224      0.00000
    117       0.5972      0.00000
    118       0.7399      0.00000
    119       0.7635      0.00000
    120       1.0490      0.00000
    121       1.1394      0.00000
    122       1.2504      0.00000
    123       1.2805      0.00000
    124       1.4251      0.00000
    125       1.4923      0.00000
    126       1.6033      0.00000
    127       1.7474      0.00000
    128       1.8401      0.00000
    129       1.8922      0.00000
    130       1.9614      0.00000
    131       2.0995      0.00000
    132       2.2562      0.00000
    133       2.2649      0.00000
    134       2.3252      0.00000
    135       2.5029      0.00000
    136       2.5925      0.00000
    137       2.6532      0.00000
    138       2.7842      0.00000
    139       2.7960      0.00000
    140       2.8166      0.00000
    141       2.8703      0.00000
    142       2.8851      0.00000
    143       2.9428      0.00000
    144       3.1194      0.00000
    145       3.2977      0.00000
    146       3.3112      0.00000
    147       3.3458      0.00000
    148       3.3709      0.00000
    149       3.4799      0.00000
    150       3.5758      0.00000
    151       3.6265      0.00000
    152       3.6843      0.00000
    153       3.7185      0.00000
    154       3.9265      0.00000
    155       3.9401      0.00000
    156       3.9955      0.00000
    157       4.0866      0.00000
    158       4.2167      0.00000
    159       4.2652      0.00000
    160       4.3058      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2128      1.00000
      2     -22.0069      1.00000
      3     -21.6481      1.00000
      4     -21.6115      1.00000
      5     -20.9119      1.00000
      6     -20.8661      1.00000
      7     -20.5447      1.00000
      8     -20.5058      1.00000
      9     -20.4954      1.00000
     10     -19.9630      1.00000
     11     -19.4417      1.00000
     12     -19.4149      1.00000
     13     -19.2412      1.00000
     14     -19.2269      1.00000
     15     -18.3835      1.00000
     16     -18.3398      1.00000
     17     -17.8597      1.00000
     18     -17.8390      1.00000
     19     -17.6975      1.00000
     20     -17.6553      1.00000
     21     -17.3720      1.00000
     22     -17.3562      1.00000
     23     -17.2745      1.00000
     24     -16.4014      1.00000
     25     -16.3867      1.00000
     26     -15.8962      1.00000
     27     -15.3523      1.00000
     28     -15.3371      1.00000
     29     -15.0346      1.00000
     30     -15.0209      1.00000
     31     -14.7999      1.00000
     32     -14.7753      1.00000
     33     -14.2221      1.00000
     34     -14.1903      1.00000
     35     -13.3713      1.00000
     36     -13.3379      1.00000
     37     -13.1201      1.00000
     38     -13.1028      1.00000
     39     -12.9158      1.00000
     40     -12.9025      1.00000
     41     -12.5571      1.00000
     42     -12.5393      1.00000
     43     -12.1336      1.00000
     44     -11.5214      1.00000
     45     -11.4742      1.00000
     46     -11.2534      1.00000
     47     -11.2201      1.00000
     48     -11.0801      1.00000
     49     -10.6566      1.00000
     50     -10.5898      1.00000
     51     -10.5209      1.00000
     52     -10.2580      1.00000
     53     -10.2495      1.00000
     54     -10.1218      1.00000
     55     -10.0495      1.00000
     56     -10.0420      1.00000
     57      -9.7679      1.00000
     58      -9.7055      1.00000
     59      -9.6802      1.00000
     60      -9.6313      1.00000
     61      -9.6273      1.00000
     62      -9.5873      1.00000
     63      -9.2948      1.00000
     64      -9.2858      1.00000
     65      -9.2537      1.00000
     66      -9.0834      1.00000
     67      -8.8978      1.00000
     68      -8.8838      1.00000
     69      -8.7243      1.00000
     70      -8.5862      1.00000
     71      -8.5147      1.00000
     72      -8.3305      1.00000
     73      -8.3021      1.00000
     74      -8.2650      1.00000
     75      -8.2335      1.00000
     76      -8.1962      1.00000
     77      -8.1875      1.00000
     78      -8.1717      1.00000
     79      -8.0953      1.00000
     80      -7.6877      1.00000
     81      -7.3610      1.00000
     82      -7.3117      1.00000
     83      -7.2668      1.00000
     84      -7.1881      1.00000
     85      -7.1267      1.00000
     86      -7.0768      1.00000
     87      -6.9069      1.00000
     88      -6.8828      1.00000
     89      -6.5506      1.00000
     90      -6.4941      1.00000
     91      -6.2111      1.00000
     92      -6.0680      1.00000
     93      -5.9408      1.00000
     94      -5.7131      1.00000
     95      -5.6329      1.00000
     96      -5.4519      1.00000
     97      -5.3046      1.00000
     98      -5.2345      1.00000
     99      -5.1527      1.00000
    100      -5.1521      1.00000
    101      -4.5197      1.00000
    102      -4.4709      1.00000
    103      -4.1401      1.00000
    104      -3.8286      1.00000
    105      -3.7579      1.00000
    106      -3.6814      1.00000
    107      -1.8727      0.00000
    108      -1.8257      0.00000
    109      -1.2786      0.00000
    110      -1.0377      0.00000
    111      -1.0138      0.00000
    112      -0.7147      0.00000
    113      -0.6417      0.00000
    114      -0.5906      0.00000
    115      -0.5481      0.00000
    116      -0.2076      0.00000
    117       0.2498      0.00000
    118       0.2763      0.00000
    119       0.7712      0.00000
    120       0.9519      0.00000
    121       1.1356      0.00000
    122       1.2319      0.00000
    123       1.3243      0.00000
    124       1.4190      0.00000
    125       1.6132      0.00000
    126       1.6340      0.00000
    127       1.7277      0.00000
    128       1.8199      0.00000
    129       1.9385      0.00000
    130       2.0394      0.00000
    131       2.0691      0.00000
    132       2.2856      0.00000
    133       2.3992      0.00000
    134       2.4553      0.00000
    135       2.5578      0.00000
    136       2.6487      0.00000
    137       2.7117      0.00000
    138       2.7825      0.00000
    139       2.8499      0.00000
    140       2.8987      0.00000
    141       3.0564      0.00000
    142       3.1070      0.00000
    143       3.2110      0.00000
    144       3.2544      0.00000
    145       3.3986      0.00000
    146       3.4331      0.00000
    147       3.5080      0.00000
    148       3.5911      0.00000
    149       3.6156      0.00000
    150       3.6332      0.00000
    151       3.6550      0.00000
    152       3.7416      0.00000
    153       3.7560      0.00000
    154       3.7673      0.00000
    155       3.8082      0.00000
    156       3.9046      0.00000
    157       3.9960      0.00000
    158       4.0211      0.00000
    159       4.1955      0.00000
    160       4.2239      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2467      1.00000
      2     -21.8924      1.00000
      3     -21.8223      1.00000
      4     -21.3106      1.00000
      5     -21.2807      1.00000
      6     -20.7695      1.00000
      7     -20.7040      1.00000
      8     -20.5554      1.00000
      9     -20.0079      1.00000
     10     -20.0009      1.00000
     11     -19.6472      1.00000
     12     -19.6231      1.00000
     13     -18.9287      1.00000
     14     -18.9206      1.00000
     15     -18.5700      1.00000
     16     -18.5565      1.00000
     17     -18.3935      1.00000
     18     -17.6143      1.00000
     19     -17.5587      1.00000
     20     -17.5534      1.00000
     21     -17.5119      1.00000
     22     -17.0555      1.00000
     23     -17.0383      1.00000
     24     -16.8918      1.00000
     25     -15.9300      1.00000
     26     -15.8667      1.00000
     27     -15.5162      1.00000
     28     -15.5151      1.00000
     29     -15.2283      1.00000
     30     -14.7943      1.00000
     31     -14.7674      1.00000
     32     -14.5154      1.00000
     33     -14.4713      1.00000
     34     -14.1020      1.00000
     35     -14.0906      1.00000
     36     -13.0770      1.00000
     37     -13.0324      1.00000
     38     -12.9668      1.00000
     39     -12.9551      1.00000
     40     -12.6453      1.00000
     41     -12.6391      1.00000
     42     -12.2738      1.00000
     43     -12.2425      1.00000
     44     -11.5872      1.00000
     45     -11.5612      1.00000
     46     -11.5065      1.00000
     47     -10.9036      1.00000
     48     -10.8511      1.00000
     49     -10.6184      1.00000
     50     -10.5596      1.00000
     51     -10.4839      1.00000
     52     -10.4339      1.00000
     53     -10.4239      1.00000
     54     -10.3720      1.00000
     55     -10.2939      1.00000
     56     -10.0633      1.00000
     57      -9.8325      1.00000
     58      -9.5484      1.00000
     59      -9.4886      1.00000
     60      -9.4675      1.00000
     61      -9.3469      1.00000
     62      -9.3312      1.00000
     63      -9.3109      1.00000
     64      -9.3086      1.00000
     65      -9.2135      1.00000
     66      -9.1119      1.00000
     67      -9.0818      1.00000
     68      -9.0503      1.00000
     69      -8.8451      1.00000
     70      -8.7938      1.00000
     71      -8.7739      1.00000
     72      -8.5267      1.00000
     73      -8.4732      1.00000
     74      -8.2176      1.00000
     75      -8.1101      1.00000
     76      -8.1001      1.00000
     77      -7.8069      1.00000
     78      -7.7837      1.00000
     79      -7.7819      1.00000
     80      -7.6725      1.00000
     81      -7.6327      1.00000
     82      -7.6311      1.00000
     83      -7.4036      1.00000
     84      -7.3243      1.00000
     85      -7.2069      1.00000
     86      -6.8408      1.00000
     87      -6.8303      1.00000
     88      -6.6587      1.00000
     89      -6.5385      1.00000
     90      -6.3454      1.00000
     91      -6.3069      1.00000
     92      -6.1851      1.00000
     93      -6.1482      1.00000
     94      -5.9777      1.00000
     95      -5.5717      1.00000
     96      -5.4260      1.00000
     97      -5.2593      1.00000
     98      -5.2449      1.00000
     99      -5.1492      1.00000
    100      -4.6956      1.00000
    101      -4.6660      1.00000
    102      -4.3509      1.00000
    103      -4.3121      1.00000
    104      -3.9637      1.00000
    105      -3.8208      1.00000
    106      -3.3919      1.00000
    107      -2.2217      0.00000
    108      -1.3780      0.00000
    109      -1.2882      0.00000
    110      -1.1751      0.00000
    111      -1.0798      0.00000
    112      -0.8957      0.00000
    113      -0.7701      0.00000
    114      -0.7595      0.00000
    115      -0.2240      0.00000
    116       0.1110      0.00000
    117       0.2617      0.00000
    118       0.3435      0.00000
    119       0.7456      0.00000
    120       0.9037      0.00000
    121       0.9718      0.00000
    122       1.1012      0.00000
    123       1.2176      0.00000
    124       1.5386      0.00000
    125       1.5932      0.00000
    126       1.7229      0.00000
    127       1.8375      0.00000
    128       1.8610      0.00000
    129       1.9482      0.00000
    130       2.0337      0.00000
    131       2.1490      0.00000
    132       2.2985      0.00000
    133       2.4098      0.00000
    134       2.4697      0.00000
    135       2.4819      0.00000
    136       2.6644      0.00000
    137       2.6873      0.00000
    138       2.7508      0.00000
    139       2.7597      0.00000
    140       2.9100      0.00000
    141       3.0402      0.00000
    142       3.1001      0.00000
    143       3.1718      0.00000
    144       3.2146      0.00000
    145       3.2621      0.00000
    146       3.2850      0.00000
    147       3.3759      0.00000
    148       3.4967      0.00000
    149       3.5563      0.00000
    150       3.7148      0.00000
    151       3.7648      0.00000
    152       3.7694      0.00000
    153       3.8324      0.00000
    154       3.9014      0.00000
    155       3.9666      0.00000
    156       3.9789      0.00000
    157       4.0043      0.00000
    158       4.0426      0.00000
    159       4.0433      0.00000
    160       4.0981      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1402      1.00000
      2     -22.0462      1.00000
      3     -21.8858      1.00000
      4     -21.3337      1.00000
      5     -20.9807      1.00000
      6     -20.9427      1.00000
      7     -20.4323      1.00000
      8     -20.3903      1.00000
      9     -20.2259      1.00000
     10     -20.2047      1.00000
     11     -19.8882      1.00000
     12     -19.8212      1.00000
     13     -18.8141      1.00000
     14     -18.7437      1.00000
     15     -18.2892      1.00000
     16     -18.2364      1.00000
     17     -18.0855      1.00000
     18     -18.0658      1.00000
     19     -17.7611      1.00000
     20     -17.7192      1.00000
     21     -17.1887      1.00000
     22     -17.1703      1.00000
     23     -17.0999      1.00000
     24     -17.0640      1.00000
     25     -16.0375      1.00000
     26     -15.8225      1.00000
     27     -15.7995      1.00000
     28     -15.7649      1.00000
     29     -15.1741      1.00000
     30     -14.4910      1.00000
     31     -14.4587      1.00000
     32     -14.2183      1.00000
     33     -13.8954      1.00000
     34     -13.8905      1.00000
     35     -13.7564      1.00000
     36     -13.7366      1.00000
     37     -13.5517      1.00000
     38     -13.5036      1.00000
     39     -13.2994      1.00000
     40     -12.5641      1.00000
     41     -12.1252      1.00000
     42     -12.0668      1.00000
     43     -12.0096      1.00000
     44     -11.9516      1.00000
     45     -11.6113      1.00000
     46     -11.5888      1.00000
     47     -11.0852      1.00000
     48     -11.0529      1.00000
     49     -10.7517      1.00000
     50     -10.6645      1.00000
     51     -10.5211      1.00000
     52     -10.1489      1.00000
     53     -10.1387      1.00000
     54     -10.0958      1.00000
     55      -9.9533      1.00000
     56      -9.9473      1.00000
     57      -9.9175      1.00000
     58      -9.7380      1.00000
     59      -9.7319      1.00000
     60      -9.7016      1.00000
     61      -9.6917      1.00000
     62      -9.4268      1.00000
     63      -9.3629      1.00000
     64      -9.0833      1.00000
     65      -9.0072      1.00000
     66      -8.9754      1.00000
     67      -8.8887      1.00000
     68      -8.8109      1.00000
     69      -8.6578      1.00000
     70      -8.6357      1.00000
     71      -8.5756      1.00000
     72      -8.4791      1.00000
     73      -8.4677      1.00000
     74      -8.3987      1.00000
     75      -8.3952      1.00000
     76      -8.1834      1.00000
     77      -8.1115      1.00000
     78      -7.9771      1.00000
     79      -7.9125      1.00000
     80      -7.8477      1.00000
     81      -7.6150      1.00000
     82      -7.5307      1.00000
     83      -7.4703      1.00000
     84      -7.2666      1.00000
     85      -6.9353      1.00000
     86      -6.8596      1.00000
     87      -6.8128      1.00000
     88      -6.5716      1.00000
     89      -6.4677      1.00000
     90      -6.4219      1.00000
     91      -6.3572      1.00000
     92      -6.0498      1.00000
     93      -5.8768      1.00000
     94      -5.7531      1.00000
     95      -5.7219      1.00000
     96      -5.4753      1.00000
     97      -5.3454      1.00000
     98      -5.1806      1.00000
     99      -5.1564      1.00000
    100      -5.1554      1.00000
    101      -4.7069      1.00000
    102      -4.4418      1.00000
    103      -4.2530      1.00000
    104      -3.9945      1.00000
    105      -3.8197      1.00000
    106      -3.1582      1.00000
    107      -2.4648      0.00000
    108      -1.3799      0.00000
    109      -1.2428      0.00000
    110      -1.1482      0.00000
    111      -1.1164      0.00000
    112      -0.5668      0.00000
    113      -0.4370      0.00000
    114      -0.4325      0.00000
    115      -0.3123      0.00000
    116      -0.1928      0.00000
    117       0.0595      0.00000
    118       0.1137      0.00000
    119       0.5382      0.00000
    120       0.6820      0.00000
    121       0.8820      0.00000
    122       0.9801      0.00000
    123       1.1217      0.00000
    124       1.5058      0.00000
    125       1.6803      0.00000
    126       1.8418      0.00000
    127       1.8966      0.00000
    128       2.0889      0.00000
    129       2.1206      0.00000
    130       2.1698      0.00000
    131       2.2196      0.00000
    132       2.3302      0.00000
    133       2.3388      0.00000
    134       2.4834      0.00000
    135       2.5646      0.00000
    136       2.6890      0.00000
    137       2.8896      0.00000
    138       2.9363      0.00000
    139       2.9801      0.00000
    140       3.0113      0.00000
    141       3.0604      0.00000
    142       3.1427      0.00000
    143       3.1688      0.00000
    144       3.2613      0.00000
    145       3.3055      0.00000
    146       3.3432      0.00000
    147       3.3534      0.00000
    148       3.3893      0.00000
    149       3.4250      0.00000
    150       3.5134      0.00000
    151       3.5645      0.00000
    152       3.6283      0.00000
    153       3.6573      0.00000
    154       3.7042      0.00000
    155       3.7282      0.00000
    156       3.9345      0.00000
    157       3.9510      0.00000
    158       4.0774      0.00000
    159       4.1196      0.00000
    160       4.2296      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2465      1.00000
      2     -21.8938      1.00000
      3     -21.8209      1.00000
      4     -21.3151      1.00000
      5     -21.2768      1.00000
      6     -20.7704      1.00000
      7     -20.7021      1.00000
      8     -20.5538      1.00000
      9     -20.0219      1.00000
     10     -19.9900      1.00000
     11     -19.6496      1.00000
     12     -19.6189      1.00000
     13     -18.9427      1.00000
     14     -18.9084      1.00000
     15     -18.5835      1.00000
     16     -18.5464      1.00000
     17     -18.3918      1.00000
     18     -17.6013      1.00000
     19     -17.5706      1.00000
     20     -17.5414      1.00000
     21     -17.5087      1.00000
     22     -17.0741      1.00000
     23     -17.0277      1.00000
     24     -16.9003      1.00000
     25     -15.9457      1.00000
     26     -15.8508      1.00000
     27     -15.5328      1.00000
     28     -15.5065      1.00000
     29     -15.2095      1.00000
     30     -14.8135      1.00000
     31     -14.7616      1.00000
     32     -14.5097      1.00000
     33     -14.4683      1.00000
     34     -14.0963      1.00000
     35     -14.0933      1.00000
     36     -13.1047      1.00000
     37     -13.0294      1.00000
     38     -12.9570      1.00000
     39     -12.9501      1.00000
     40     -12.6559      1.00000
     41     -12.6279      1.00000
     42     -12.2738      1.00000
     43     -12.2469      1.00000
     44     -11.5733      1.00000
     45     -11.5542      1.00000
     46     -11.5006      1.00000
     47     -10.8777      1.00000
     48     -10.8685      1.00000
     49     -10.6783      1.00000
     50     -10.5259      1.00000
     51     -10.5195      1.00000
     52     -10.4338      1.00000
     53     -10.4160      1.00000
     54     -10.3707      1.00000
     55     -10.2883      1.00000
     56     -10.0586      1.00000
     57      -9.8315      1.00000
     58      -9.5584      1.00000
     59      -9.4852      1.00000
     60      -9.4425      1.00000
     61      -9.3561      1.00000
     62      -9.3398      1.00000
     63      -9.3084      1.00000
     64      -9.3026      1.00000
     65      -9.2055      1.00000
     66      -9.1002      1.00000
     67      -9.0695      1.00000
     68      -9.0497      1.00000
     69      -8.8477      1.00000
     70      -8.7974      1.00000
     71      -8.7778      1.00000
     72      -8.5264      1.00000
     73      -8.4940      1.00000
     74      -8.2226      1.00000
     75      -8.1300      1.00000
     76      -8.0937      1.00000
     77      -7.8069      1.00000
     78      -7.7684      1.00000
     79      -7.7397      1.00000
     80      -7.7012      1.00000
     81      -7.6368      1.00000
     82      -7.6255      1.00000
     83      -7.3893      1.00000
     84      -7.3449      1.00000
     85      -7.2256      1.00000
     86      -6.8445      1.00000
     87      -6.8223      1.00000
     88      -6.6373      1.00000
     89      -6.5295      1.00000
     90      -6.3429      1.00000
     91      -6.2726      1.00000
     92      -6.1953      1.00000
     93      -6.1333      1.00000
     94      -6.0198      1.00000
     95      -5.6337      1.00000
     96      -5.5081      1.00000
     97      -5.2981      1.00000
     98      -5.1568      1.00000
     99      -5.0393      1.00000
    100      -4.7250      1.00000
    101      -4.6860      1.00000
    102      -4.3692      1.00000
    103      -4.1837      1.00000
    104      -4.0074      1.00000
    105      -3.8192      1.00000
    106      -3.4857      1.00000
    107      -2.1665      0.00000
    108      -1.3846      0.00000
    109      -1.2375      0.00000
    110      -1.1871      0.00000
    111      -1.0160      0.00000
    112      -0.9575      0.00000
    113      -0.7993      0.00000
    114      -0.7541      0.00000
    115      -0.3705      0.00000
    116       0.2429      0.00000
    117       0.2744      0.00000
    118       0.3617      0.00000
    119       0.7116      0.00000
    120       0.8680      0.00000
    121       0.9638      0.00000
    122       1.1343      0.00000
    123       1.2480      0.00000
    124       1.4615      0.00000
    125       1.5883      0.00000
    126       1.7846      0.00000
    127       1.8463      0.00000
    128       1.8721      0.00000
    129       2.0041      0.00000
    130       2.0441      0.00000
    131       2.1836      0.00000
    132       2.2375      0.00000
    133       2.4030      0.00000
    134       2.4260      0.00000
    135       2.5098      0.00000
    136       2.6584      0.00000
    137       2.6829      0.00000
    138       2.7450      0.00000
    139       2.7869      0.00000
    140       2.8790      0.00000
    141       2.9914      0.00000
    142       3.0980      0.00000
    143       3.1596      0.00000
    144       3.2114      0.00000
    145       3.2678      0.00000
    146       3.3039      0.00000
    147       3.3468      0.00000
    148       3.4975      0.00000
    149       3.5389      0.00000
    150       3.7198      0.00000
    151       3.7402      0.00000
    152       3.7695      0.00000
    153       3.8677      0.00000
    154       3.8824      0.00000
    155       3.9093      0.00000
    156       3.9707      0.00000
    157       4.0113      0.00000
    158       4.0467      0.00000
    159       4.0506      0.00000
    160       4.0942      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3185      1.00000
      2     -21.7603      1.00000
      3     -21.5668      1.00000
      4     -21.5400      1.00000
      5     -21.2039      1.00000
      6     -21.1656      1.00000
      7     -20.9852      1.00000
      8     -20.0977      1.00000
      9     -20.0595      1.00000
     10     -19.5457      1.00000
     11     -19.5256      1.00000
     12     -19.3445      1.00000
     13     -19.0274      1.00000
     14     -18.9878      1.00000
     15     -18.9773      1.00000
     16     -18.9716      1.00000
     17     -18.2958      1.00000
     18     -18.2822      1.00000
     19     -17.9463      1.00000
     20     -17.0001      1.00000
     21     -16.9599      1.00000
     22     -16.8830      1.00000
     23     -16.8700      1.00000
     24     -16.4159      1.00000
     25     -16.3937      1.00000
     26     -15.5406      1.00000
     27     -15.5373      1.00000
     28     -15.1729      1.00000
     29     -15.1717      1.00000
     30     -15.1307      1.00000
     31     -15.0365      1.00000
     32     -15.0012      1.00000
     33     -14.6333      1.00000
     34     -14.6267      1.00000
     35     -13.6629      1.00000
     36     -13.6534      1.00000
     37     -13.1713      1.00000
     38     -12.5730      1.00000
     39     -12.5139      1.00000
     40     -12.3855      1.00000
     41     -12.3852      1.00000
     42     -12.0360      1.00000
     43     -12.0322      1.00000
     44     -11.6547      1.00000
     45     -11.6150      1.00000
     46     -11.2062      1.00000
     47     -11.1578      1.00000
     48     -10.9553      1.00000
     49     -10.9426      1.00000
     50     -10.8605      1.00000
     51     -10.8286      1.00000
     52     -10.6203      1.00000
     53     -10.1454      1.00000
     54     -10.0848      1.00000
     55     -10.0255      1.00000
     56      -9.9439      1.00000
     57      -9.6312      1.00000
     58      -9.6298      1.00000
     59      -9.6027      1.00000
     60      -9.5407      1.00000
     61      -9.5044      1.00000
     62      -9.4792      1.00000
     63      -9.2714      1.00000
     64      -9.2362      1.00000
     65      -9.2068      1.00000
     66      -9.1802      1.00000
     67      -9.0621      1.00000
     68      -9.0477      1.00000
     69      -9.0441      1.00000
     70      -8.8765      1.00000
     71      -8.8093      1.00000
     72      -8.5339      1.00000
     73      -8.5330      1.00000
     74      -8.4945      1.00000
     75      -8.0320      1.00000
     76      -7.8324      1.00000
     77      -7.7971      1.00000
     78      -7.7744      1.00000
     79      -7.7044      1.00000
     80      -7.6856      1.00000
     81      -7.4189      1.00000
     82      -7.2887      1.00000
     83      -7.2527      1.00000
     84      -7.2022      1.00000
     85      -7.0803      1.00000
     86      -7.0792      1.00000
     87      -6.9397      1.00000
     88      -6.7097      1.00000
     89      -6.6738      1.00000
     90      -6.6294      1.00000
     91      -6.5579      1.00000
     92      -6.0723      1.00000
     93      -6.0318      1.00000
     94      -6.0016      1.00000
     95      -5.9386      1.00000
     96      -5.7989      1.00000
     97      -5.1775      1.00000
     98      -4.8928      1.00000
     99      -4.7926      1.00000
    100      -4.6119      1.00000
    101      -4.5132      1.00000
    102      -4.1394      1.00000
    103      -4.0916      1.00000
    104      -3.9322      1.00000
    105      -3.9166      1.00000
    106      -3.8186      1.00000
    107      -1.7535      0.00000
    108      -1.6985      0.00000
    109      -1.4116      0.00000
    110      -1.3730      0.00000
    111      -1.2665      0.00000
    112      -1.2374      0.00000
    113      -0.6277      0.00000
    114      -0.6003      0.00000
    115      -0.1918      0.00000
    116       0.0381      0.00000
    117       0.5936      0.00000
    118       0.7419      0.00000
    119       0.8468      0.00000
    120       0.9286      0.00000
    121       1.1652      0.00000
    122       1.2156      0.00000
    123       1.2492      0.00000
    124       1.4418      0.00000
    125       1.6040      0.00000
    126       1.6541      0.00000
    127       1.7193      0.00000
    128       1.7847      0.00000
    129       1.9167      0.00000
    130       1.9370      0.00000
    131       2.1513      0.00000
    132       2.1897      0.00000
    133       2.2682      0.00000
    134       2.3278      0.00000
    135       2.5633      0.00000
    136       2.5944      0.00000
    137       2.6008      0.00000
    138       2.7693      0.00000
    139       2.8002      0.00000
    140       2.8051      0.00000
    141       2.8919      0.00000
    142       2.9208      0.00000
    143       3.0338      0.00000
    144       3.0570      0.00000
    145       3.1240      0.00000
    146       3.3135      0.00000
    147       3.3262      0.00000
    148       3.3895      0.00000
    149       3.4917      0.00000
    150       3.5896      0.00000
    151       3.6577      0.00000
    152       3.6675      0.00000
    153       3.6857      0.00000
    154       3.9126      0.00000
    155       3.9853      0.00000
    156       4.0242      0.00000
    157       4.0945      0.00000
    158       4.2585      0.00000
    159       4.2665      0.00000
    160       4.2753      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1393      1.00000
      2     -22.0475      1.00000
      3     -21.8854      1.00000
      4     -21.3347      1.00000
      5     -20.9758      1.00000
      6     -20.9467      1.00000
      7     -20.4271      1.00000
      8     -20.3955      1.00000
      9     -20.2155      1.00000
     10     -20.2138      1.00000
     11     -19.8872      1.00000
     12     -19.8237      1.00000
     13     -18.8171      1.00000
     14     -18.7467      1.00000
     15     -18.2654      1.00000
     16     -18.2515      1.00000
     17     -18.0801      1.00000
     18     -18.0737      1.00000
     19     -17.7456      1.00000
     20     -17.7303      1.00000
     21     -17.1949      1.00000
     22     -17.1719      1.00000
     23     -17.0893      1.00000
     24     -17.0680      1.00000
     25     -16.0534      1.00000
     26     -15.8082      1.00000
     27     -15.7987      1.00000
     28     -15.7779      1.00000
     29     -15.1598      1.00000
     30     -14.4856      1.00000
     31     -14.4645      1.00000
     32     -14.2049      1.00000
     33     -13.9167      1.00000
     34     -13.8869      1.00000
     35     -13.7598      1.00000
     36     -13.7392      1.00000
     37     -13.5365      1.00000
     38     -13.5110      1.00000
     39     -13.3009      1.00000
     40     -12.5762      1.00000
     41     -12.1016      1.00000
     42     -12.0778      1.00000
     43     -11.9985      1.00000
     44     -11.9510      1.00000
     45     -11.6061      1.00000
     46     -11.5987      1.00000
     47     -11.0845      1.00000
     48     -11.0620      1.00000
     49     -10.7319      1.00000
     50     -10.6650      1.00000
     51     -10.5528      1.00000
     52     -10.1403      1.00000
     53     -10.1356      1.00000
     54     -10.1002      1.00000
     55      -9.9663      1.00000
     56      -9.9259      1.00000
     57      -9.9213      1.00000
     58      -9.7511      1.00000
     59      -9.7300      1.00000
     60      -9.6981      1.00000
     61      -9.6959      1.00000
     62      -9.3983      1.00000
     63      -9.3897      1.00000
     64      -9.0668      1.00000
     65      -8.9822      1.00000
     66      -8.9820      1.00000
     67      -8.9066      1.00000
     68      -8.8118      1.00000
     69      -8.6498      1.00000
     70      -8.6349      1.00000
     71      -8.5440      1.00000
     72      -8.5024      1.00000
     73      -8.4834      1.00000
     74      -8.3955      1.00000
     75      -8.3834      1.00000
     76      -8.2086      1.00000
     77      -8.0997      1.00000
     78      -8.0066      1.00000
     79      -7.9006      1.00000
     80      -7.8429      1.00000
     81      -7.6206      1.00000
     82      -7.5335      1.00000
     83      -7.4578      1.00000
     84      -7.2625      1.00000
     85      -6.9437      1.00000
     86      -6.8704      1.00000
     87      -6.8117      1.00000
     88      -6.4782      1.00000
     89      -6.4697      1.00000
     90      -6.4111      1.00000
     91      -6.3598      1.00000
     92      -6.1840      1.00000
     93      -5.8582      1.00000
     94      -5.7383      1.00000
     95      -5.7116      1.00000
     96      -5.5211      1.00000
     97      -5.3291      1.00000
     98      -5.1730      1.00000
     99      -5.1684      1.00000
    100      -5.1346      1.00000
    101      -4.6962      1.00000
    102      -4.3502      1.00000
    103      -4.2772      1.00000
    104      -4.0268      1.00000
    105      -3.8206      1.00000
    106      -3.2345      1.00000
    107      -2.4075      0.00000
    108      -1.3464      0.00000
    109      -1.2453      0.00000
    110      -1.1556      0.00000
    111      -1.1105      0.00000
    112      -0.5858      0.00000
    113      -0.5239      0.00000
    114      -0.4359      0.00000
    115      -0.2768      0.00000
    116      -0.0744      0.00000
    117      -0.0141      0.00000
    118       0.0579      0.00000
    119       0.5822      0.00000
    120       0.7080      0.00000
    121       0.8202      0.00000
    122       0.9544      0.00000
    123       1.1952      0.00000
    124       1.5323      0.00000
    125       1.6325      0.00000
    126       1.8876      0.00000
    127       2.0255      0.00000
    128       2.0627      0.00000
    129       2.0958      0.00000
    130       2.1408      0.00000
    131       2.2293      0.00000
    132       2.2854      0.00000
    133       2.3374      0.00000
    134       2.4299      0.00000
    135       2.6116      0.00000
    136       2.7159      0.00000
    137       2.8503      0.00000
    138       2.9123      0.00000
    139       2.9441      0.00000
    140       3.0308      0.00000
    141       3.0647      0.00000
    142       3.1309      0.00000
    143       3.1771      0.00000
    144       3.2351      0.00000
    145       3.3086      0.00000
    146       3.3236      0.00000
    147       3.3624      0.00000
    148       3.3809      0.00000
    149       3.4376      0.00000
    150       3.4595      0.00000
    151       3.5684      0.00000
    152       3.6149      0.00000
    153       3.6606      0.00000
    154       3.7032      0.00000
    155       3.8721      0.00000
    156       3.9179      0.00000
    157       3.9475      0.00000
    158       3.9710      0.00000
    159       4.1831      0.00000
    160       4.2085      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2124      1.00000
      2     -22.0075      1.00000
      3     -21.6454      1.00000
      4     -21.6146      1.00000
      5     -20.9089      1.00000
      6     -20.8689      1.00000
      7     -20.5384      1.00000
      8     -20.5063      1.00000
      9     -20.4996      1.00000
     10     -19.9621      1.00000
     11     -19.4405      1.00000
     12     -19.4186      1.00000
     13     -19.2399      1.00000
     14     -19.2325      1.00000
     15     -18.3758      1.00000
     16     -18.3412      1.00000
     17     -17.8589      1.00000
     18     -17.8428      1.00000
     19     -17.6912      1.00000
     20     -17.6557      1.00000
     21     -17.3726      1.00000
     22     -17.3582      1.00000
     23     -17.2678      1.00000
     24     -16.4134      1.00000
     25     -16.3904      1.00000
     26     -15.9045      1.00000
     27     -15.3435      1.00000
     28     -15.3388      1.00000
     29     -15.0311      1.00000
     30     -15.0217      1.00000
     31     -14.7769      1.00000
     32     -14.7751      1.00000
     33     -14.2378      1.00000
     34     -14.1875      1.00000
     35     -13.3879      1.00000
     36     -13.3341      1.00000
     37     -13.1115      1.00000
     38     -13.1038      1.00000
     39     -12.9177      1.00000
     40     -12.9119      1.00000
     41     -12.5460      1.00000
     42     -12.5386      1.00000
     43     -12.1341      1.00000
     44     -11.5136      1.00000
     45     -11.4698      1.00000
     46     -11.2448      1.00000
     47     -11.2136      1.00000
     48     -11.0868      1.00000
     49     -10.7023      1.00000
     50     -10.5963      1.00000
     51     -10.5072      1.00000
     52     -10.2521      1.00000
     53     -10.2480      1.00000
     54     -10.1205      1.00000
     55     -10.0549      1.00000
     56     -10.0399      1.00000
     57      -9.7836      1.00000
     58      -9.6878      1.00000
     59      -9.6736      1.00000
     60      -9.6385      1.00000
     61      -9.6291      1.00000
     62      -9.5856      1.00000
     63      -9.2961      1.00000
     64      -9.2844      1.00000
     65      -9.2537      1.00000
     66      -9.0602      1.00000
     67      -8.8957      1.00000
     68      -8.8846      1.00000
     69      -8.7185      1.00000
     70      -8.5776      1.00000
     71      -8.5270      1.00000
     72      -8.3500      1.00000
     73      -8.3050      1.00000
     74      -8.2440      1.00000
     75      -8.2387      1.00000
     76      -8.1957      1.00000
     77      -8.1833      1.00000
     78      -8.1708      1.00000
     79      -8.1023      1.00000
     80      -7.6886      1.00000
     81      -7.4238      1.00000
     82      -7.3443      1.00000
     83      -7.2608      1.00000
     84      -7.1701      1.00000
     85      -7.1098      1.00000
     86      -7.0063      1.00000
     87      -6.9040      1.00000
     88      -6.8494      1.00000
     89      -6.5434      1.00000
     90      -6.5000      1.00000
     91      -6.2067      1.00000
     92      -6.2032      1.00000
     93      -5.8949      1.00000
     94      -5.6726      1.00000
     95      -5.6063      1.00000
     96      -5.5804      1.00000
     97      -5.2541      1.00000
     98      -5.2314      1.00000
     99      -5.1656      1.00000
    100      -5.1353      1.00000
    101      -4.5997      1.00000
    102      -4.2477      1.00000
    103      -4.0432      1.00000
    104      -3.8856      1.00000
    105      -3.8364      1.00000
    106      -3.7990      1.00000
    107      -1.8098      0.00000
    108      -1.7833      0.00000
    109      -1.2265      0.00000
    110      -1.1770      0.00000
    111      -0.9759      0.00000
    112      -0.7366      0.00000
    113      -0.6521      0.00000
    114      -0.5960      0.00000
    115      -0.5514      0.00000
    116      -0.1583      0.00000
    117       0.1739      0.00000
    118       0.2859      0.00000
    119       0.7169      0.00000
    120       0.9594      0.00000
    121       1.1696      0.00000
    122       1.2753      0.00000
    123       1.3576      0.00000
    124       1.5259      0.00000
    125       1.6175      0.00000
    126       1.6376      0.00000
    127       1.6943      0.00000
    128       1.7837      0.00000
    129       1.8782      0.00000
    130       2.0433      0.00000
    131       2.1716      0.00000
    132       2.2857      0.00000
    133       2.4207      0.00000
    134       2.4254      0.00000
    135       2.5782      0.00000
    136       2.6417      0.00000
    137       2.6970      0.00000
    138       2.7029      0.00000
    139       2.7795      0.00000
    140       2.9191      0.00000
    141       3.0662      0.00000
    142       3.0753      0.00000
    143       3.2069      0.00000
    144       3.2930      0.00000
    145       3.4086      0.00000
    146       3.4242      0.00000
    147       3.4675      0.00000
    148       3.5550      0.00000
    149       3.5961      0.00000
    150       3.6416      0.00000
    151       3.6765      0.00000
    152       3.6993      0.00000
    153       3.7600      0.00000
    154       3.7655      0.00000
    155       3.8445      0.00000
    156       3.9176      0.00000
    157       3.9182      0.00000
    158       3.9832      0.00000
    159       4.2053      0.00000
    160       4.2411      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3552      1.00000
      2     -21.5344      1.00000
      3     -21.4062      1.00000
      4     -21.4055      1.00000
      5     -21.3742      1.00000
      6     -21.3653      1.00000
      7     -21.3578      1.00000
      8     -19.6446      1.00000
      9     -19.5716      1.00000
     10     -19.5645      1.00000
     11     -19.5583      1.00000
     12     -19.5400      1.00000
     13     -19.5373      1.00000
     14     -18.7273      1.00000
     15     -18.6792      1.00000
     16     -18.6716      1.00000
     17     -18.6582      1.00000
     18     -18.6432      1.00000
     19     -18.6416      1.00000
     20     -16.5855      1.00000
     21     -16.5266      1.00000
     22     -16.5243      1.00000
     23     -16.5117      1.00000
     24     -16.4874      1.00000
     25     -16.4855      1.00000
     26     -15.5580      1.00000
     27     -15.5260      1.00000
     28     -15.5253      1.00000
     29     -15.4995      1.00000
     30     -15.4945      1.00000
     31     -15.4891      1.00000
     32     -14.2060      1.00000
     33     -14.1802      1.00000
     34     -14.1676      1.00000
     35     -14.1655      1.00000
     36     -14.1600      1.00000
     37     -14.1490      1.00000
     38     -11.8828      1.00000
     39     -11.8088      1.00000
     40     -11.7929      1.00000
     41     -11.7926      1.00000
     42     -11.7894      1.00000
     43     -11.7837      1.00000
     44     -11.7046      1.00000
     45     -11.6986      1.00000
     46     -11.6726      1.00000
     47     -11.6581      1.00000
     48     -11.6579      1.00000
     49     -11.6509      1.00000
     50     -10.6687      1.00000
     51     -10.3290      1.00000
     52     -10.3212      1.00000
     53     -10.3057      1.00000
     54     -10.3044      1.00000
     55     -10.2915      1.00000
     56     -10.2785      1.00000
     57      -9.9217      1.00000
     58      -9.3717      1.00000
     59      -9.3589      1.00000
     60      -9.2998      1.00000
     61      -9.2918      1.00000
     62      -9.2849      1.00000
     63      -9.0918      1.00000
     64      -9.0550      1.00000
     65      -9.0501      1.00000
     66      -9.0273      1.00000
     67      -9.0080      1.00000
     68      -9.0027      1.00000
     69      -9.0014      1.00000
     70      -8.9957      1.00000
     71      -8.9930      1.00000
     72      -8.9735      1.00000
     73      -8.9658      1.00000
     74      -8.9556      1.00000
     75      -8.4865      1.00000
     76      -7.5171      1.00000
     77      -7.4115      1.00000
     78      -7.4114      1.00000
     79      -7.3968      1.00000
     80      -7.3845      1.00000
     81      -7.3654      1.00000
     82      -7.3426      1.00000
     83      -7.3123      1.00000
     84      -7.2661      1.00000
     85      -7.2063      1.00000
     86      -7.1801      1.00000
     87      -7.1799      1.00000
     88      -7.0808      1.00000
     89      -6.5063      1.00000
     90      -6.4605      1.00000
     91      -6.3546      1.00000
     92      -6.2943      1.00000
     93      -6.2884      1.00000
     94      -6.2871      1.00000
     95      -5.8986      1.00000
     96      -5.8865      1.00000
     97      -5.0401      1.00000
     98      -4.9356      1.00000
     99      -4.5360      1.00000
    100      -4.3419      1.00000
    101      -4.3192      1.00000
    102      -4.3180      1.00000
    103      -4.1180      1.00000
    104      -3.9126      1.00000
    105      -3.9023      1.00000
    106      -3.8243      1.00000
    107      -1.6829      0.00000
    108      -1.6696      0.00000
    109      -1.5384      0.00000
    110      -1.5365      0.00000
    111      -1.5252      0.00000
    112      -1.5111      0.00000
    113      -0.5901      0.00000
    114       0.1315      0.00000
    115       0.2049      0.00000
    116       0.3227      0.00000
    117       0.3241      0.00000
    118       0.3318      0.00000
    119       0.4918      0.00000
    120       0.6098      0.00000
    121       1.2611      0.00000
    122       1.2907      0.00000
    123       1.5432      0.00000
    124       1.7568      0.00000
    125       1.8173      0.00000
    126       1.8209      0.00000
    127       1.8265      0.00000
    128       1.9453      0.00000
    129       1.9928      0.00000
    130       2.0287      0.00000
    131       2.0427      0.00000
    132       2.0478      0.00000
    133       2.0556      0.00000
    134       2.0651      0.00000
    135       2.3183      0.00000
    136       2.3295      0.00000
    137       2.6509      0.00000
    138       2.6593      0.00000
    139       2.6913      0.00000
    140       2.7415      0.00000
    141       2.8896      0.00000
    142       2.9964      0.00000
    143       3.0168      0.00000
    144       3.0388      0.00000
    145       3.0409      0.00000
    146       3.0430      0.00000
    147       3.0911      0.00000
    148       3.2523      0.00000
    149       3.4414      0.00000
    150       3.5608      0.00000
    151       3.7836      0.00000
    152       3.9518      0.00000
    153       3.9677      0.00000
    154       3.9731      0.00000
    155       3.9749      0.00000
    156       4.0122      0.00000
    157       4.1895      0.00000
    158       4.2704      0.00000
    159       4.2940      0.00000
    160       4.2954      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3186      1.00000
      2     -21.7600      1.00000
      3     -21.5695      1.00000
      4     -21.5371      1.00000
      5     -21.2067      1.00000
      6     -21.1623      1.00000
      7     -20.9865      1.00000
      8     -20.1007      1.00000
      9     -20.0572      1.00000
     10     -19.5455      1.00000
     11     -19.5212      1.00000
     12     -19.3486      1.00000
     13     -19.0238      1.00000
     14     -18.9893      1.00000
     15     -18.9811      1.00000
     16     -18.9689      1.00000
     17     -18.2970      1.00000
     18     -18.2779      1.00000
     19     -17.9518      1.00000
     20     -17.0092      1.00000
     21     -16.9598      1.00000
     22     -16.8787      1.00000
     23     -16.8691      1.00000
     24     -16.4050      1.00000
     25     -16.3904      1.00000
     26     -15.5514      1.00000
     27     -15.5356      1.00000
     28     -15.1974      1.00000
     29     -15.1692      1.00000
     30     -15.1146      1.00000
     31     -15.0277      1.00000
     32     -15.0031      1.00000
     33     -14.6362      1.00000
     34     -14.6245      1.00000
     35     -13.6674      1.00000
     36     -13.6522      1.00000
     37     -13.1699      1.00000
     38     -12.5513      1.00000
     39     -12.5185      1.00000
     40     -12.3908      1.00000
     41     -12.3779      1.00000
     42     -12.0576      1.00000
     43     -12.0350      1.00000
     44     -11.6589      1.00000
     45     -11.6173      1.00000
     46     -11.1809      1.00000
     47     -11.1578      1.00000
     48     -10.9646      1.00000
     49     -10.9410      1.00000
     50     -10.8731      1.00000
     51     -10.8375      1.00000
     52     -10.5987      1.00000
     53     -10.0932      1.00000
     54     -10.0888      1.00000
     55     -10.0451      1.00000
     56      -9.9694      1.00000
     57      -9.6538      1.00000
     58      -9.6297      1.00000
     59      -9.5916      1.00000
     60      -9.5297      1.00000
     61      -9.5113      1.00000
     62      -9.4794      1.00000
     63      -9.2634      1.00000
     64      -9.2417      1.00000
     65      -9.2208      1.00000
     66      -9.1668      1.00000
     67      -9.0682      1.00000
     68      -9.0473      1.00000
     69      -9.0416      1.00000
     70      -8.8819      1.00000
     71      -8.8069      1.00000
     72      -8.5751      1.00000
     73      -8.5234      1.00000
     74      -8.4539      1.00000
     75      -8.0363      1.00000
     76      -7.8096      1.00000
     77      -7.8066      1.00000
     78      -7.7929      1.00000
     79      -7.7010      1.00000
     80      -7.6917      1.00000
     81      -7.3686      1.00000
     82      -7.2737      1.00000
     83      -7.2657      1.00000
     84      -7.2176      1.00000
     85      -7.1728      1.00000
     86      -7.0093      1.00000
     87      -6.9486      1.00000
     88      -6.7451      1.00000
     89      -6.6718      1.00000
     90      -6.5949      1.00000
     91      -6.5597      1.00000
     92      -6.0517      1.00000
     93      -6.0464      1.00000
     94      -6.0220      1.00000
     95      -5.9601      1.00000
     96      -5.7365      1.00000
     97      -5.1507      1.00000
     98      -4.9882      1.00000
     99      -4.7179      1.00000
    100      -4.6118      1.00000
    101      -4.4396      1.00000
    102      -4.3739      1.00000
    103      -4.1220      1.00000
    104      -3.8688      1.00000
    105      -3.8257      1.00000
    106      -3.7911      1.00000
    107      -1.7869      0.00000
    108      -1.7403      0.00000
    109      -1.3961      0.00000
    110      -1.3476      0.00000
    111      -1.2667      0.00000
    112      -1.2278      0.00000
    113      -0.7479      0.00000
    114      -0.3824      0.00000
    115      -0.2223      0.00000
    116      -0.0224      0.00000
    117       0.5972      0.00000
    118       0.7399      0.00000
    119       0.7635      0.00000
    120       1.0490      0.00000
    121       1.1394      0.00000
    122       1.2504      0.00000
    123       1.2805      0.00000
    124       1.4252      0.00000
    125       1.4923      0.00000
    126       1.6033      0.00000
    127       1.7474      0.00000
    128       1.8401      0.00000
    129       1.8922      0.00000
    130       1.9614      0.00000
    131       2.0995      0.00000
    132       2.2562      0.00000
    133       2.2649      0.00000
    134       2.3252      0.00000
    135       2.5029      0.00000
    136       2.5925      0.00000
    137       2.6532      0.00000
    138       2.7842      0.00000
    139       2.7960      0.00000
    140       2.8166      0.00000
    141       2.8703      0.00000
    142       2.8851      0.00000
    143       2.9428      0.00000
    144       3.1194      0.00000
    145       3.2977      0.00000
    146       3.3112      0.00000
    147       3.3458      0.00000
    148       3.3709      0.00000
    149       3.4799      0.00000
    150       3.5758      0.00000
    151       3.6265      0.00000
    152       3.6843      0.00000
    153       3.7185      0.00000
    154       3.9265      0.00000
    155       3.9401      0.00000
    156       3.9955      0.00000
    157       4.0866      0.00000
    158       4.2167      0.00000
    159       4.2652      0.00000
    160       4.3058      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2128      1.00000
      2     -22.0069      1.00000
      3     -21.6481      1.00000
      4     -21.6115      1.00000
      5     -20.9119      1.00000
      6     -20.8661      1.00000
      7     -20.5447      1.00000
      8     -20.5058      1.00000
      9     -20.4954      1.00000
     10     -19.9630      1.00000
     11     -19.4417      1.00000
     12     -19.4149      1.00000
     13     -19.2412      1.00000
     14     -19.2269      1.00000
     15     -18.3835      1.00000
     16     -18.3398      1.00000
     17     -17.8597      1.00000
     18     -17.8390      1.00000
     19     -17.6975      1.00000
     20     -17.6553      1.00000
     21     -17.3720      1.00000
     22     -17.3562      1.00000
     23     -17.2745      1.00000
     24     -16.4014      1.00000
     25     -16.3867      1.00000
     26     -15.8962      1.00000
     27     -15.3523      1.00000
     28     -15.3371      1.00000
     29     -15.0346      1.00000
     30     -15.0209      1.00000
     31     -14.7999      1.00000
     32     -14.7753      1.00000
     33     -14.2221      1.00000
     34     -14.1903      1.00000
     35     -13.3713      1.00000
     36     -13.3379      1.00000
     37     -13.1201      1.00000
     38     -13.1028      1.00000
     39     -12.9158      1.00000
     40     -12.9025      1.00000
     41     -12.5571      1.00000
     42     -12.5393      1.00000
     43     -12.1336      1.00000
     44     -11.5214      1.00000
     45     -11.4742      1.00000
     46     -11.2534      1.00000
     47     -11.2201      1.00000
     48     -11.0801      1.00000
     49     -10.6566      1.00000
     50     -10.5898      1.00000
     51     -10.5209      1.00000
     52     -10.2580      1.00000
     53     -10.2495      1.00000
     54     -10.1218      1.00000
     55     -10.0495      1.00000
     56     -10.0420      1.00000
     57      -9.7679      1.00000
     58      -9.7055      1.00000
     59      -9.6802      1.00000
     60      -9.6313      1.00000
     61      -9.6273      1.00000
     62      -9.5873      1.00000
     63      -9.2948      1.00000
     64      -9.2858      1.00000
     65      -9.2537      1.00000
     66      -9.0834      1.00000
     67      -8.8978      1.00000
     68      -8.8838      1.00000
     69      -8.7243      1.00000
     70      -8.5862      1.00000
     71      -8.5147      1.00000
     72      -8.3305      1.00000
     73      -8.3021      1.00000
     74      -8.2650      1.00000
     75      -8.2335      1.00000
     76      -8.1962      1.00000
     77      -8.1875      1.00000
     78      -8.1717      1.00000
     79      -8.0953      1.00000
     80      -7.6877      1.00000
     81      -7.3610      1.00000
     82      -7.3117      1.00000
     83      -7.2668      1.00000
     84      -7.1881      1.00000
     85      -7.1267      1.00000
     86      -7.0768      1.00000
     87      -6.9069      1.00000
     88      -6.8828      1.00000
     89      -6.5506      1.00000
     90      -6.4941      1.00000
     91      -6.2111      1.00000
     92      -6.0680      1.00000
     93      -5.9408      1.00000
     94      -5.7131      1.00000
     95      -5.6329      1.00000
     96      -5.4519      1.00000
     97      -5.3046      1.00000
     98      -5.2345      1.00000
     99      -5.1527      1.00000
    100      -5.1521      1.00000
    101      -4.5197      1.00000
    102      -4.4709      1.00000
    103      -4.1401      1.00000
    104      -3.8286      1.00000
    105      -3.7579      1.00000
    106      -3.6814      1.00000
    107      -1.8727      0.00000
    108      -1.8257      0.00000
    109      -1.2786      0.00000
    110      -1.0377      0.00000
    111      -1.0138      0.00000
    112      -0.7147      0.00000
    113      -0.6417      0.00000
    114      -0.5906      0.00000
    115      -0.5481      0.00000
    116      -0.2076      0.00000
    117       0.2498      0.00000
    118       0.2763      0.00000
    119       0.7712      0.00000
    120       0.9519      0.00000
    121       1.1356      0.00000
    122       1.2319      0.00000
    123       1.3243      0.00000
    124       1.4190      0.00000
    125       1.6132      0.00000
    126       1.6340      0.00000
    127       1.7277      0.00000
    128       1.8199      0.00000
    129       1.9385      0.00000
    130       2.0394      0.00000
    131       2.0691      0.00000
    132       2.2856      0.00000
    133       2.3992      0.00000
    134       2.4553      0.00000
    135       2.5578      0.00000
    136       2.6487      0.00000
    137       2.7117      0.00000
    138       2.7825      0.00000
    139       2.8499      0.00000
    140       2.8987      0.00000
    141       3.0564      0.00000
    142       3.1070      0.00000
    143       3.2110      0.00000
    144       3.2544      0.00000
    145       3.3986      0.00000
    146       3.4331      0.00000
    147       3.5080      0.00000
    148       3.5911      0.00000
    149       3.6156      0.00000
    150       3.6332      0.00000
    151       3.6550      0.00000
    152       3.7416      0.00000
    153       3.7560      0.00000
    154       3.7673      0.00000
    155       3.8082      0.00000
    156       3.9046      0.00000
    157       3.9960      0.00000
    158       4.0211      0.00000
    159       4.1955      0.00000
    160       4.2239      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2467      1.00000
      2     -21.8924      1.00000
      3     -21.8223      1.00000
      4     -21.3106      1.00000
      5     -21.2807      1.00000
      6     -20.7695      1.00000
      7     -20.7040      1.00000
      8     -20.5554      1.00000
      9     -20.0079      1.00000
     10     -20.0009      1.00000
     11     -19.6472      1.00000
     12     -19.6231      1.00000
     13     -18.9287      1.00000
     14     -18.9206      1.00000
     15     -18.5700      1.00000
     16     -18.5565      1.00000
     17     -18.3935      1.00000
     18     -17.6143      1.00000
     19     -17.5587      1.00000
     20     -17.5534      1.00000
     21     -17.5119      1.00000
     22     -17.0555      1.00000
     23     -17.0383      1.00000
     24     -16.8918      1.00000
     25     -15.9300      1.00000
     26     -15.8667      1.00000
     27     -15.5162      1.00000
     28     -15.5151      1.00000
     29     -15.2283      1.00000
     30     -14.7943      1.00000
     31     -14.7674      1.00000
     32     -14.5154      1.00000
     33     -14.4713      1.00000
     34     -14.1020      1.00000
     35     -14.0906      1.00000
     36     -13.0770      1.00000
     37     -13.0324      1.00000
     38     -12.9668      1.00000
     39     -12.9551      1.00000
     40     -12.6453      1.00000
     41     -12.6391      1.00000
     42     -12.2738      1.00000
     43     -12.2425      1.00000
     44     -11.5872      1.00000
     45     -11.5612      1.00000
     46     -11.5065      1.00000
     47     -10.9036      1.00000
     48     -10.8511      1.00000
     49     -10.6184      1.00000
     50     -10.5596      1.00000
     51     -10.4839      1.00000
     52     -10.4339      1.00000
     53     -10.4239      1.00000
     54     -10.3720      1.00000
     55     -10.2939      1.00000
     56     -10.0633      1.00000
     57      -9.8325      1.00000
     58      -9.5484      1.00000
     59      -9.4886      1.00000
     60      -9.4675      1.00000
     61      -9.3469      1.00000
     62      -9.3312      1.00000
     63      -9.3109      1.00000
     64      -9.3086      1.00000
     65      -9.2135      1.00000
     66      -9.1119      1.00000
     67      -9.0818      1.00000
     68      -9.0503      1.00000
     69      -8.8451      1.00000
     70      -8.7938      1.00000
     71      -8.7739      1.00000
     72      -8.5267      1.00000
     73      -8.4732      1.00000
     74      -8.2176      1.00000
     75      -8.1101      1.00000
     76      -8.1001      1.00000
     77      -7.8069      1.00000
     78      -7.7837      1.00000
     79      -7.7819      1.00000
     80      -7.6725      1.00000
     81      -7.6327      1.00000
     82      -7.6311      1.00000
     83      -7.4036      1.00000
     84      -7.3243      1.00000
     85      -7.2069      1.00000
     86      -6.8408      1.00000
     87      -6.8303      1.00000
     88      -6.6587      1.00000
     89      -6.5385      1.00000
     90      -6.3454      1.00000
     91      -6.3069      1.00000
     92      -6.1851      1.00000
     93      -6.1482      1.00000
     94      -5.9777      1.00000
     95      -5.5717      1.00000
     96      -5.4260      1.00000
     97      -5.2593      1.00000
     98      -5.2449      1.00000
     99      -5.1492      1.00000
    100      -4.6956      1.00000
    101      -4.6660      1.00000
    102      -4.3509      1.00000
    103      -4.3121      1.00000
    104      -3.9637      1.00000
    105      -3.8208      1.00000
    106      -3.3919      1.00000
    107      -2.2217      0.00000
    108      -1.3780      0.00000
    109      -1.2882      0.00000
    110      -1.1751      0.00000
    111      -1.0798      0.00000
    112      -0.8957      0.00000
    113      -0.7701      0.00000
    114      -0.7595      0.00000
    115      -0.2240      0.00000
    116       0.1110      0.00000
    117       0.2617      0.00000
    118       0.3435      0.00000
    119       0.7456      0.00000
    120       0.9037      0.00000
    121       0.9718      0.00000
    122       1.1012      0.00000
    123       1.2176      0.00000
    124       1.5386      0.00000
    125       1.5932      0.00000
    126       1.7229      0.00000
    127       1.8375      0.00000
    128       1.8610      0.00000
    129       1.9482      0.00000
    130       2.0337      0.00000
    131       2.1490      0.00000
    132       2.2985      0.00000
    133       2.4098      0.00000
    134       2.4697      0.00000
    135       2.4819      0.00000
    136       2.6644      0.00000
    137       2.6873      0.00000
    138       2.7508      0.00000
    139       2.7597      0.00000
    140       2.9100      0.00000
    141       3.0402      0.00000
    142       3.1001      0.00000
    143       3.1718      0.00000
    144       3.2146      0.00000
    145       3.2621      0.00000
    146       3.2850      0.00000
    147       3.3759      0.00000
    148       3.4967      0.00000
    149       3.5563      0.00000
    150       3.7148      0.00000
    151       3.7648      0.00000
    152       3.7694      0.00000
    153       3.8324      0.00000
    154       3.9014      0.00000
    155       3.9666      0.00000
    156       3.9789      0.00000
    157       4.0043      0.00000
    158       4.0426      0.00000
    159       4.0433      0.00000
    160       4.0976      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1402      1.00000
      2     -22.0462      1.00000
      3     -21.8858      1.00000
      4     -21.3337      1.00000
      5     -20.9807      1.00000
      6     -20.9427      1.00000
      7     -20.4323      1.00000
      8     -20.3903      1.00000
      9     -20.2259      1.00000
     10     -20.2047      1.00000
     11     -19.8882      1.00000
     12     -19.8212      1.00000
     13     -18.8141      1.00000
     14     -18.7437      1.00000
     15     -18.2892      1.00000
     16     -18.2364      1.00000
     17     -18.0855      1.00000
     18     -18.0658      1.00000
     19     -17.7611      1.00000
     20     -17.7192      1.00000
     21     -17.1887      1.00000
     22     -17.1703      1.00000
     23     -17.0999      1.00000
     24     -17.0640      1.00000
     25     -16.0375      1.00000
     26     -15.8225      1.00000
     27     -15.7995      1.00000
     28     -15.7649      1.00000
     29     -15.1741      1.00000
     30     -14.4910      1.00000
     31     -14.4587      1.00000
     32     -14.2183      1.00000
     33     -13.8954      1.00000
     34     -13.8905      1.00000
     35     -13.7564      1.00000
     36     -13.7366      1.00000
     37     -13.5517      1.00000
     38     -13.5036      1.00000
     39     -13.2994      1.00000
     40     -12.5641      1.00000
     41     -12.1252      1.00000
     42     -12.0668      1.00000
     43     -12.0096      1.00000
     44     -11.9516      1.00000
     45     -11.6113      1.00000
     46     -11.5888      1.00000
     47     -11.0852      1.00000
     48     -11.0529      1.00000
     49     -10.7517      1.00000
     50     -10.6645      1.00000
     51     -10.5211      1.00000
     52     -10.1489      1.00000
     53     -10.1387      1.00000
     54     -10.0958      1.00000
     55      -9.9533      1.00000
     56      -9.9473      1.00000
     57      -9.9175      1.00000
     58      -9.7380      1.00000
     59      -9.7319      1.00000
     60      -9.7016      1.00000
     61      -9.6917      1.00000
     62      -9.4268      1.00000
     63      -9.3629      1.00000
     64      -9.0833      1.00000
     65      -9.0072      1.00000
     66      -8.9754      1.00000
     67      -8.8887      1.00000
     68      -8.8109      1.00000
     69      -8.6578      1.00000
     70      -8.6357      1.00000
     71      -8.5756      1.00000
     72      -8.4791      1.00000
     73      -8.4677      1.00000
     74      -8.3987      1.00000
     75      -8.3952      1.00000
     76      -8.1834      1.00000
     77      -8.1115      1.00000
     78      -7.9771      1.00000
     79      -7.9125      1.00000
     80      -7.8477      1.00000
     81      -7.6150      1.00000
     82      -7.5307      1.00000
     83      -7.4703      1.00000
     84      -7.2666      1.00000
     85      -6.9353      1.00000
     86      -6.8596      1.00000
     87      -6.8128      1.00000
     88      -6.5716      1.00000
     89      -6.4677      1.00000
     90      -6.4219      1.00000
     91      -6.3572      1.00000
     92      -6.0498      1.00000
     93      -5.8768      1.00000
     94      -5.7531      1.00000
     95      -5.7219      1.00000
     96      -5.4753      1.00000
     97      -5.3454      1.00000
     98      -5.1806      1.00000
     99      -5.1564      1.00000
    100      -5.1554      1.00000
    101      -4.7069      1.00000
    102      -4.4418      1.00000
    103      -4.2530      1.00000
    104      -3.9945      1.00000
    105      -3.8197      1.00000
    106      -3.1582      1.00000
    107      -2.4648      0.00000
    108      -1.3799      0.00000
    109      -1.2428      0.00000
    110      -1.1482      0.00000
    111      -1.1164      0.00000
    112      -0.5668      0.00000
    113      -0.4370      0.00000
    114      -0.4325      0.00000
    115      -0.3123      0.00000
    116      -0.1928      0.00000
    117       0.0595      0.00000
    118       0.1137      0.00000
    119       0.5382      0.00000
    120       0.6820      0.00000
    121       0.8820      0.00000
    122       0.9801      0.00000
    123       1.1217      0.00000
    124       1.5058      0.00000
    125       1.6803      0.00000
    126       1.8418      0.00000
    127       1.8966      0.00000
    128       2.0889      0.00000
    129       2.1206      0.00000
    130       2.1698      0.00000
    131       2.2196      0.00000
    132       2.3302      0.00000
    133       2.3388      0.00000
    134       2.4834      0.00000
    135       2.5646      0.00000
    136       2.6890      0.00000
    137       2.8896      0.00000
    138       2.9363      0.00000
    139       2.9801      0.00000
    140       3.0113      0.00000
    141       3.0604      0.00000
    142       3.1427      0.00000
    143       3.1688      0.00000
    144       3.2613      0.00000
    145       3.3055      0.00000
    146       3.3432      0.00000
    147       3.3534      0.00000
    148       3.3893      0.00000
    149       3.4250      0.00000
    150       3.5134      0.00000
    151       3.5645      0.00000
    152       3.6283      0.00000
    153       3.6573      0.00000
    154       3.7042      0.00000
    155       3.7282      0.00000
    156       3.9345      0.00000
    157       3.9510      0.00000
    158       4.0774      0.00000
    159       4.1196      0.00000
    160       4.2297      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2465      1.00000
      2     -21.8938      1.00000
      3     -21.8209      1.00000
      4     -21.3151      1.00000
      5     -21.2768      1.00000
      6     -20.7704      1.00000
      7     -20.7021      1.00000
      8     -20.5538      1.00000
      9     -20.0219      1.00000
     10     -19.9900      1.00000
     11     -19.6496      1.00000
     12     -19.6189      1.00000
     13     -18.9427      1.00000
     14     -18.9084      1.00000
     15     -18.5835      1.00000
     16     -18.5464      1.00000
     17     -18.3918      1.00000
     18     -17.6013      1.00000
     19     -17.5706      1.00000
     20     -17.5414      1.00000
     21     -17.5087      1.00000
     22     -17.0741      1.00000
     23     -17.0277      1.00000
     24     -16.9003      1.00000
     25     -15.9457      1.00000
     26     -15.8508      1.00000
     27     -15.5328      1.00000
     28     -15.5065      1.00000
     29     -15.2095      1.00000
     30     -14.8135      1.00000
     31     -14.7616      1.00000
     32     -14.5097      1.00000
     33     -14.4683      1.00000
     34     -14.0963      1.00000
     35     -14.0933      1.00000
     36     -13.1047      1.00000
     37     -13.0294      1.00000
     38     -12.9570      1.00000
     39     -12.9501      1.00000
     40     -12.6559      1.00000
     41     -12.6279      1.00000
     42     -12.2738      1.00000
     43     -12.2469      1.00000
     44     -11.5733      1.00000
     45     -11.5542      1.00000
     46     -11.5006      1.00000
     47     -10.8777      1.00000
     48     -10.8685      1.00000
     49     -10.6783      1.00000
     50     -10.5259      1.00000
     51     -10.5195      1.00000
     52     -10.4338      1.00000
     53     -10.4160      1.00000
     54     -10.3707      1.00000
     55     -10.2883      1.00000
     56     -10.0586      1.00000
     57      -9.8315      1.00000
     58      -9.5584      1.00000
     59      -9.4852      1.00000
     60      -9.4425      1.00000
     61      -9.3561      1.00000
     62      -9.3398      1.00000
     63      -9.3084      1.00000
     64      -9.3026      1.00000
     65      -9.2055      1.00000
     66      -9.1002      1.00000
     67      -9.0695      1.00000
     68      -9.0497      1.00000
     69      -8.8477      1.00000
     70      -8.7974      1.00000
     71      -8.7778      1.00000
     72      -8.5264      1.00000
     73      -8.4940      1.00000
     74      -8.2226      1.00000
     75      -8.1300      1.00000
     76      -8.0937      1.00000
     77      -7.8069      1.00000
     78      -7.7684      1.00000
     79      -7.7397      1.00000
     80      -7.7012      1.00000
     81      -7.6368      1.00000
     82      -7.6255      1.00000
     83      -7.3893      1.00000
     84      -7.3449      1.00000
     85      -7.2256      1.00000
     86      -6.8445      1.00000
     87      -6.8223      1.00000
     88      -6.6373      1.00000
     89      -6.5295      1.00000
     90      -6.3429      1.00000
     91      -6.2726      1.00000
     92      -6.1953      1.00000
     93      -6.1333      1.00000
     94      -6.0198      1.00000
     95      -5.6337      1.00000
     96      -5.5081      1.00000
     97      -5.2981      1.00000
     98      -5.1568      1.00000
     99      -5.0393      1.00000
    100      -4.7250      1.00000
    101      -4.6860      1.00000
    102      -4.3692      1.00000
    103      -4.1837      1.00000
    104      -4.0074      1.00000
    105      -3.8192      1.00000
    106      -3.4857      1.00000
    107      -2.1665      0.00000
    108      -1.3846      0.00000
    109      -1.2375      0.00000
    110      -1.1871      0.00000
    111      -1.0160      0.00000
    112      -0.9575      0.00000
    113      -0.7993      0.00000
    114      -0.7541      0.00000
    115      -0.3705      0.00000
    116       0.2429      0.00000
    117       0.2744      0.00000
    118       0.3617      0.00000
    119       0.7116      0.00000
    120       0.8680      0.00000
    121       0.9638      0.00000
    122       1.1343      0.00000
    123       1.2481      0.00000
    124       1.4615      0.00000
    125       1.5883      0.00000
    126       1.7846      0.00000
    127       1.8463      0.00000
    128       1.8721      0.00000
    129       2.0041      0.00000
    130       2.0441      0.00000
    131       2.1836      0.00000
    132       2.2375      0.00000
    133       2.4030      0.00000
    134       2.4260      0.00000
    135       2.5098      0.00000
    136       2.6584      0.00000
    137       2.6829      0.00000
    138       2.7450      0.00000
    139       2.7869      0.00000
    140       2.8790      0.00000
    141       2.9914      0.00000
    142       3.0980      0.00000
    143       3.1596      0.00000
    144       3.2114      0.00000
    145       3.2678      0.00000
    146       3.3039      0.00000
    147       3.3468      0.00000
    148       3.4975      0.00000
    149       3.5389      0.00000
    150       3.7198      0.00000
    151       3.7402      0.00000
    152       3.7695      0.00000
    153       3.8677      0.00000
    154       3.8824      0.00000
    155       3.9093      0.00000
    156       3.9707      0.00000
    157       4.0113      0.00000
    158       4.0467      0.00000
    159       4.0506      0.00000
    160       4.0942      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3185      1.00000
      2     -21.7603      1.00000
      3     -21.5668      1.00000
      4     -21.5400      1.00000
      5     -21.2039      1.00000
      6     -21.1656      1.00000
      7     -20.9852      1.00000
      8     -20.0977      1.00000
      9     -20.0595      1.00000
     10     -19.5457      1.00000
     11     -19.5256      1.00000
     12     -19.3445      1.00000
     13     -19.0274      1.00000
     14     -18.9878      1.00000
     15     -18.9773      1.00000
     16     -18.9716      1.00000
     17     -18.2958      1.00000
     18     -18.2822      1.00000
     19     -17.9463      1.00000
     20     -17.0001      1.00000
     21     -16.9599      1.00000
     22     -16.8830      1.00000
     23     -16.8700      1.00000
     24     -16.4159      1.00000
     25     -16.3937      1.00000
     26     -15.5406      1.00000
     27     -15.5373      1.00000
     28     -15.1729      1.00000
     29     -15.1717      1.00000
     30     -15.1307      1.00000
     31     -15.0365      1.00000
     32     -15.0012      1.00000
     33     -14.6333      1.00000
     34     -14.6267      1.00000
     35     -13.6629      1.00000
     36     -13.6534      1.00000
     37     -13.1713      1.00000
     38     -12.5730      1.00000
     39     -12.5139      1.00000
     40     -12.3855      1.00000
     41     -12.3852      1.00000
     42     -12.0360      1.00000
     43     -12.0322      1.00000
     44     -11.6547      1.00000
     45     -11.6150      1.00000
     46     -11.2062      1.00000
     47     -11.1578      1.00000
     48     -10.9553      1.00000
     49     -10.9426      1.00000
     50     -10.8605      1.00000
     51     -10.8286      1.00000
     52     -10.6203      1.00000
     53     -10.1454      1.00000
     54     -10.0848      1.00000
     55     -10.0255      1.00000
     56      -9.9439      1.00000
     57      -9.6312      1.00000
     58      -9.6298      1.00000
     59      -9.6027      1.00000
     60      -9.5407      1.00000
     61      -9.5044      1.00000
     62      -9.4792      1.00000
     63      -9.2714      1.00000
     64      -9.2362      1.00000
     65      -9.2068      1.00000
     66      -9.1802      1.00000
     67      -9.0621      1.00000
     68      -9.0477      1.00000
     69      -9.0441      1.00000
     70      -8.8765      1.00000
     71      -8.8093      1.00000
     72      -8.5339      1.00000
     73      -8.5330      1.00000
     74      -8.4945      1.00000
     75      -8.0320      1.00000
     76      -7.8324      1.00000
     77      -7.7971      1.00000
     78      -7.7744      1.00000
     79      -7.7044      1.00000
     80      -7.6856      1.00000
     81      -7.4189      1.00000
     82      -7.2887      1.00000
     83      -7.2527      1.00000
     84      -7.2022      1.00000
     85      -7.0803      1.00000
     86      -7.0792      1.00000
     87      -6.9397      1.00000
     88      -6.7097      1.00000
     89      -6.6738      1.00000
     90      -6.6294      1.00000
     91      -6.5579      1.00000
     92      -6.0723      1.00000
     93      -6.0318      1.00000
     94      -6.0016      1.00000
     95      -5.9386      1.00000
     96      -5.7989      1.00000
     97      -5.1775      1.00000
     98      -4.8928      1.00000
     99      -4.7926      1.00000
    100      -4.6119      1.00000
    101      -4.5132      1.00000
    102      -4.1394      1.00000
    103      -4.0916      1.00000
    104      -3.9322      1.00000
    105      -3.9166      1.00000
    106      -3.8186      1.00000
    107      -1.7535      0.00000
    108      -1.6985      0.00000
    109      -1.4116      0.00000
    110      -1.3730      0.00000
    111      -1.2665      0.00000
    112      -1.2374      0.00000
    113      -0.6277      0.00000
    114      -0.6003      0.00000
    115      -0.1918      0.00000
    116       0.0381      0.00000
    117       0.5936      0.00000
    118       0.7419      0.00000
    119       0.8468      0.00000
    120       0.9286      0.00000
    121       1.1652      0.00000
    122       1.2156      0.00000
    123       1.2492      0.00000
    124       1.4419      0.00000
    125       1.6040      0.00000
    126       1.6541      0.00000
    127       1.7193      0.00000
    128       1.7847      0.00000
    129       1.9167      0.00000
    130       1.9370      0.00000
    131       2.1513      0.00000
    132       2.1897      0.00000
    133       2.2682      0.00000
    134       2.3278      0.00000
    135       2.5633      0.00000
    136       2.5944      0.00000
    137       2.6008      0.00000
    138       2.7693      0.00000
    139       2.8001      0.00000
    140       2.8051      0.00000
    141       2.8919      0.00000
    142       2.9208      0.00000
    143       3.0338      0.00000
    144       3.0570      0.00000
    145       3.1240      0.00000
    146       3.3135      0.00000
    147       3.3262      0.00000
    148       3.3895      0.00000
    149       3.4917      0.00000
    150       3.5896      0.00000
    151       3.6577      0.00000
    152       3.6675      0.00000
    153       3.6857      0.00000
    154       3.9126      0.00000
    155       3.9853      0.00000
    156       4.0242      0.00000
    157       4.0945      0.00000
    158       4.2585      0.00000
    159       4.2665      0.00000
    160       4.2753      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1393      1.00000
      2     -22.0475      1.00000
      3     -21.8854      1.00000
      4     -21.3347      1.00000
      5     -20.9758      1.00000
      6     -20.9467      1.00000
      7     -20.4271      1.00000
      8     -20.3955      1.00000
      9     -20.2155      1.00000
     10     -20.2138      1.00000
     11     -19.8872      1.00000
     12     -19.8237      1.00000
     13     -18.8171      1.00000
     14     -18.7467      1.00000
     15     -18.2654      1.00000
     16     -18.2515      1.00000
     17     -18.0801      1.00000
     18     -18.0737      1.00000
     19     -17.7456      1.00000
     20     -17.7303      1.00000
     21     -17.1949      1.00000
     22     -17.1719      1.00000
     23     -17.0893      1.00000
     24     -17.0680      1.00000
     25     -16.0534      1.00000
     26     -15.8082      1.00000
     27     -15.7987      1.00000
     28     -15.7779      1.00000
     29     -15.1598      1.00000
     30     -14.4856      1.00000
     31     -14.4645      1.00000
     32     -14.2049      1.00000
     33     -13.9167      1.00000
     34     -13.8869      1.00000
     35     -13.7598      1.00000
     36     -13.7392      1.00000
     37     -13.5365      1.00000
     38     -13.5110      1.00000
     39     -13.3009      1.00000
     40     -12.5762      1.00000
     41     -12.1016      1.00000
     42     -12.0778      1.00000
     43     -11.9985      1.00000
     44     -11.9510      1.00000
     45     -11.6061      1.00000
     46     -11.5987      1.00000
     47     -11.0845      1.00000
     48     -11.0620      1.00000
     49     -10.7319      1.00000
     50     -10.6650      1.00000
     51     -10.5528      1.00000
     52     -10.1403      1.00000
     53     -10.1356      1.00000
     54     -10.1002      1.00000
     55      -9.9663      1.00000
     56      -9.9259      1.00000
     57      -9.9213      1.00000
     58      -9.7511      1.00000
     59      -9.7300      1.00000
     60      -9.6981      1.00000
     61      -9.6959      1.00000
     62      -9.3983      1.00000
     63      -9.3897      1.00000
     64      -9.0668      1.00000
     65      -8.9822      1.00000
     66      -8.9820      1.00000
     67      -8.9066      1.00000
     68      -8.8118      1.00000
     69      -8.6498      1.00000
     70      -8.6349      1.00000
     71      -8.5440      1.00000
     72      -8.5024      1.00000
     73      -8.4834      1.00000
     74      -8.3955      1.00000
     75      -8.3834      1.00000
     76      -8.2086      1.00000
     77      -8.0997      1.00000
     78      -8.0066      1.00000
     79      -7.9006      1.00000
     80      -7.8429      1.00000
     81      -7.6206      1.00000
     82      -7.5335      1.00000
     83      -7.4578      1.00000
     84      -7.2625      1.00000
     85      -6.9437      1.00000
     86      -6.8704      1.00000
     87      -6.8117      1.00000
     88      -6.4782      1.00000
     89      -6.4697      1.00000
     90      -6.4111      1.00000
     91      -6.3598      1.00000
     92      -6.1840      1.00000
     93      -5.8582      1.00000
     94      -5.7383      1.00000
     95      -5.7116      1.00000
     96      -5.5211      1.00000
     97      -5.3291      1.00000
     98      -5.1730      1.00000
     99      -5.1684      1.00000
    100      -5.1346      1.00000
    101      -4.6962      1.00000
    102      -4.3502      1.00000
    103      -4.2772      1.00000
    104      -4.0268      1.00000
    105      -3.8206      1.00000
    106      -3.2345      1.00000
    107      -2.4075      0.00000
    108      -1.3464      0.00000
    109      -1.2453      0.00000
    110      -1.1556      0.00000
    111      -1.1105      0.00000
    112      -0.5858      0.00000
    113      -0.5239      0.00000
    114      -0.4359      0.00000
    115      -0.2768      0.00000
    116      -0.0744      0.00000
    117      -0.0141      0.00000
    118       0.0579      0.00000
    119       0.5822      0.00000
    120       0.7080      0.00000
    121       0.8202      0.00000
    122       0.9544      0.00000
    123       1.1952      0.00000
    124       1.5323      0.00000
    125       1.6325      0.00000
    126       1.8876      0.00000
    127       2.0255      0.00000
    128       2.0627      0.00000
    129       2.0958      0.00000
    130       2.1408      0.00000
    131       2.2293      0.00000
    132       2.2854      0.00000
    133       2.3374      0.00000
    134       2.4299      0.00000
    135       2.6116      0.00000
    136       2.7159      0.00000
    137       2.8503      0.00000
    138       2.9123      0.00000
    139       2.9441      0.00000
    140       3.0308      0.00000
    141       3.0647      0.00000
    142       3.1309      0.00000
    143       3.1771      0.00000
    144       3.2351      0.00000
    145       3.3086      0.00000
    146       3.3236      0.00000
    147       3.3624      0.00000
    148       3.3809      0.00000
    149       3.4376      0.00000
    150       3.4595      0.00000
    151       3.5684      0.00000
    152       3.6149      0.00000
    153       3.6606      0.00000
    154       3.7032      0.00000
    155       3.8721      0.00000
    156       3.9179      0.00000
    157       3.9475      0.00000
    158       3.9710      0.00000
    159       4.1831      0.00000
    160       4.2085      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2124      1.00000
      2     -22.0075      1.00000
      3     -21.6454      1.00000
      4     -21.6146      1.00000
      5     -20.9089      1.00000
      6     -20.8689      1.00000
      7     -20.5384      1.00000
      8     -20.5063      1.00000
      9     -20.4996      1.00000
     10     -19.9621      1.00000
     11     -19.4405      1.00000
     12     -19.4186      1.00000
     13     -19.2399      1.00000
     14     -19.2325      1.00000
     15     -18.3758      1.00000
     16     -18.3412      1.00000
     17     -17.8589      1.00000
     18     -17.8428      1.00000
     19     -17.6912      1.00000
     20     -17.6557      1.00000
     21     -17.3726      1.00000
     22     -17.3582      1.00000
     23     -17.2678      1.00000
     24     -16.4134      1.00000
     25     -16.3904      1.00000
     26     -15.9045      1.00000
     27     -15.3435      1.00000
     28     -15.3388      1.00000
     29     -15.0311      1.00000
     30     -15.0217      1.00000
     31     -14.7769      1.00000
     32     -14.7751      1.00000
     33     -14.2378      1.00000
     34     -14.1875      1.00000
     35     -13.3879      1.00000
     36     -13.3341      1.00000
     37     -13.1115      1.00000
     38     -13.1038      1.00000
     39     -12.9177      1.00000
     40     -12.9119      1.00000
     41     -12.5460      1.00000
     42     -12.5386      1.00000
     43     -12.1341      1.00000
     44     -11.5136      1.00000
     45     -11.4698      1.00000
     46     -11.2448      1.00000
     47     -11.2136      1.00000
     48     -11.0868      1.00000
     49     -10.7023      1.00000
     50     -10.5963      1.00000
     51     -10.5072      1.00000
     52     -10.2521      1.00000
     53     -10.2480      1.00000
     54     -10.1205      1.00000
     55     -10.0549      1.00000
     56     -10.0399      1.00000
     57      -9.7836      1.00000
     58      -9.6878      1.00000
     59      -9.6736      1.00000
     60      -9.6385      1.00000
     61      -9.6291      1.00000
     62      -9.5856      1.00000
     63      -9.2961      1.00000
     64      -9.2844      1.00000
     65      -9.2537      1.00000
     66      -9.0602      1.00000
     67      -8.8957      1.00000
     68      -8.8846      1.00000
     69      -8.7185      1.00000
     70      -8.5776      1.00000
     71      -8.5270      1.00000
     72      -8.3500      1.00000
     73      -8.3050      1.00000
     74      -8.2440      1.00000
     75      -8.2387      1.00000
     76      -8.1957      1.00000
     77      -8.1833      1.00000
     78      -8.1708      1.00000
     79      -8.1023      1.00000
     80      -7.6886      1.00000
     81      -7.4238      1.00000
     82      -7.3443      1.00000
     83      -7.2608      1.00000
     84      -7.1701      1.00000
     85      -7.1098      1.00000
     86      -7.0063      1.00000
     87      -6.9040      1.00000
     88      -6.8494      1.00000
     89      -6.5434      1.00000
     90      -6.5000      1.00000
     91      -6.2067      1.00000
     92      -6.2032      1.00000
     93      -5.8949      1.00000
     94      -5.6726      1.00000
     95      -5.6063      1.00000
     96      -5.5804      1.00000
     97      -5.2541      1.00000
     98      -5.2314      1.00000
     99      -5.1656      1.00000
    100      -5.1353      1.00000
    101      -4.5997      1.00000
    102      -4.2477      1.00000
    103      -4.0432      1.00000
    104      -3.8856      1.00000
    105      -3.8364      1.00000
    106      -3.7990      1.00000
    107      -1.8098      0.00000
    108      -1.7833      0.00000
    109      -1.2265      0.00000
    110      -1.1770      0.00000
    111      -0.9759      0.00000
    112      -0.7366      0.00000
    113      -0.6521      0.00000
    114      -0.5960      0.00000
    115      -0.5514      0.00000
    116      -0.1583      0.00000
    117       0.1739      0.00000
    118       0.2859      0.00000
    119       0.7169      0.00000
    120       0.9594      0.00000
    121       1.1696      0.00000
    122       1.2753      0.00000
    123       1.3576      0.00000
    124       1.5259      0.00000
    125       1.6175      0.00000
    126       1.6376      0.00000
    127       1.6943      0.00000
    128       1.7837      0.00000
    129       1.8782      0.00000
    130       2.0433      0.00000
    131       2.1716      0.00000
    132       2.2857      0.00000
    133       2.4207      0.00000
    134       2.4254      0.00000
    135       2.5782      0.00000
    136       2.6417      0.00000
    137       2.6970      0.00000
    138       2.7029      0.00000
    139       2.7795      0.00000
    140       2.9191      0.00000
    141       3.0662      0.00000
    142       3.0753      0.00000
    143       3.2070      0.00000
    144       3.2930      0.00000
    145       3.4086      0.00000
    146       3.4242      0.00000
    147       3.4675      0.00000
    148       3.5550      0.00000
    149       3.5961      0.00000
    150       3.6416      0.00000
    151       3.6765      0.00000
    152       3.6993      0.00000
    153       3.7600      0.00000
    154       3.7655      0.00000
    155       3.8445      0.00000
    156       3.9176      0.00000
    157       3.9182      0.00000
    158       3.9832      0.00000
    159       4.2053      0.00000
    160       4.2411      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0406   -7.2582    3.9823   -1.1307   -0.1846   17.3746    0.4907   -0.8151    0.7702   -0.4755
x    -3.1261   -0.0250   -0.0203   -0.0268    0.0914   -3.0545    0.0306   -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   204.0406    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   -0.0316    0.0611    0.0191
y     0.0232   -3.2422   -0.1782    0.1689   -2.4189   -0.6651
z   204.0406    1.7481    0.2909    0.0885    0.0008    0.0706   -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    0.0984    0.0006   -0.0010   -0.0001   -0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0012   -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  -16.5784
z     0.1472    0.2351   -0.0299    0.0566   -0.0953    0.0006
 total charge-density along one line
x   212.0000  -10.0899    5.9295   -1.9397   -0.4202   19.2935   -0.6591    0.2077    0.0646   -0.1042
x    -2.7066   -0.0086    0.0024   -0.0463    0.0977   -2.3460    0.0480   -0.0342    0.0116    0.0024
x    -0.0853   -0.0055    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  -10.0899    5.9295   -1.9397   -0.4202   19.2935   -0.6591    0.2077    0.0646   -0.1042
y    -2.7066   -0.0086    0.0024   -0.0463    0.0977   -2.3460    0.0480   -0.0342    0.0116    0.0024
y    -0.0853   -0.0055    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 -205.3179  188.8928 -170.1544  154.0039 -140.2608  126.3264 -110.8406   94.5700  -78.9069
z    64.5540  -51.6403   40.4182  -31.3606   24.6244  -19.6999   15.7266  -12.1173    8.8412   -6.1680
z     4.2411   -2.9163    1.9315   -1.1359    0.5322   -0.1497   -0.0641    0.2168   -0.3719    0.5046
z    -0.5571    0.5167   -0.4326    0.3653   -0.3342    0.3163   -0.2845    0.2367   -0.1897    0.1565
z    -0.1346    0.1143   -0.0918    0.0712   -0.0575    0.0499   -0.0440    0.0369   -0.0294    0.0239
z    -0.0208    0.0185   -0.0159    0.0129   -0.0103    0.0084   -0.0068    0.0052   -0.0038    0.0028
z    -0.0020    0.0012   -0.0004   -0.0002    0.0004   -0.0004    0.0004   -0.0006    0.0007   -0.0006
z     0.0004   -0.0002    0.0001    0.0000    0.0000    0.0001   -0.0002    0.0003   -0.0003    0.0003
z    -0.0002    0.0002   -0.0002    0.0001   -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0000   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.938   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  -0.025   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
-10.938   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  -0.025   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   0.023   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
  0.023   0.000   0.044   0.000  -0.014   0.064   0.000   0.102   0.000  -0.025   0.195  -0.054   0.000   0.116   0.000   0.000
  0.000   0.596   0.000   0.262   0.000   0.000   0.331   0.000   0.109   0.000   0.000   0.000   0.058   0.000   0.066  -0.012
  0.058   0.000   0.352   0.000  -0.036   0.102   0.000   0.555   0.000  -0.058   0.697  -0.289   0.000   0.088   0.000   0.000
  0.000   0.262   0.000   0.294   0.000   0.000   0.109   0.000   0.205   0.000   0.000   0.000   0.065   0.000  -0.018  -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  -0.054   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   0.043   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  -0.018   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  -0.012   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   1.777   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   1.777   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       44.829  89.418   8.027 142.275
 


 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  110.91: CPU time   56.03
    FORLOC:  VPU time    1.25: CPU time    1.25
    FORNL :  VPU time  441.50: CPU time  221.65
    STRESS:  VPU time 1329.11: CPU time  669.09
    FORCOR:  VPU time    8.66: CPU time    8.66
    FORHAR:  VPU time    2.30: CPU time    2.30
    MIXING:  VPU time    0.17: CPU time    0.16
 d Force =-0.8950255E-06[-0.872E-05, 0.693E-05]  d Energy = 0.6427570E-05-0.732E-05
 d Force =-0.5598388E+00[-0.560E+00,-0.560E+00]  d Ewald  =-0.4716009E+01 0.416E+01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.645159 eV

  energy  without entropy=     -471.645159  energy(sigma->0) =     -471.645159
 

  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    40701.50  40717.88 -47400.85     14.19      0.00      0.00
  Hartree  40168.11  40171.39 -39420.95      2.84      0.00      0.00
  E(xc)     -779.69   -779.50   -807.21      0.17      0.00      0.00
  Local   -83162.93 -83176.36  84139.27    -11.63      0.00      0.00
  n-local   -215.76   -215.68   -203.85     -0.18      0.00      0.00
  augment     22.10     20.52     17.37     -1.37      0.00      0.00
  Kinetic   3168.38   3171.02   3582.06     -6.17      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.58     -0.55     -0.24      0.02      0.00      0.00
  in kB       -0.35     -0.34     -0.14      0.01      0.00      0.00
  external pressure =       -0.28 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
    12.348634419  0.001532369  0.000000000     0.080974814  0.046737503  0.000000000
    -6.172996783 10.694993117  0.000000000    -0.000011602  0.093495000  0.000000000
     0.000000000  0.000000000 19.973511298     0.000000000  0.000000000  0.050066310

  length of vectors
    12.348634514 12.348634218 19.973511298     0.093494998  0.093495001  0.050066310


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.358E-05 -.460E-04 -.959E+03   0.427E-05 -.273E-04 0.967E+03   0.146E-23 0.146E-23 -.791E+01   -.140E-07 0.743E-08 -.603E-02
   -.176E+02 -.305E+02 -.136E+03   0.184E+02 0.319E+02 0.138E+03   -.833E+00 -.144E+01 -.258E+01   -.146E-03 -.253E-03 -.432E-03
   0.176E+02 0.305E+02 -.136E+03   -.184E+02 -.319E+02 0.138E+03   0.833E+00 0.144E+01 -.258E+01   0.146E-03 0.253E-03 -.432E-03
   -.196E+01 0.113E+01 0.182E+02   0.197E+01 -.114E+01 -.182E+02   -.992E-02 0.573E-02 0.394E-04   0.999E-04 -.606E-04 -.243E-02
   0.579E+01 0.684E+01 0.207E+02   -.580E+01 -.687E+01 -.206E+02   0.549E-02 0.340E-01 -.162E-01   0.410E-03 -.184E-03 -.186E-02
   0.112E+02 0.504E+01 0.185E+02   -.112E+02 -.505E+01 -.185E+02   0.246E-01 0.798E-02 -.526E-01   0.739E-03 0.418E-04 -.425E-03
   0.449E+01 -.101E+01 0.164E+02   -.451E+01 0.103E+01 -.164E+02   0.215E-01 -.162E-01 0.267E-03   -.655E-03 -.609E-03 -.696E-03
   -.293E+01 -.238E+01 0.153E+02   0.294E+01 0.239E+01 -.153E+02   -.136E-01 -.155E-01 0.153E-02   -.517E-03 0.787E-03 -.734E-03
   0.596E+00 0.372E+01 0.153E+02   -.598E+00 -.375E+01 -.153E+02   0.662E-02 0.195E-01 0.153E-02   -.946E-03 0.483E-04 -.738E-03
   0.273E+01 0.181E+02 0.248E+02   -.274E+01 -.182E+02 -.248E+02   0.973E-02 0.109E+00 -.975E-02   0.166E-03 0.578E-03 -.859E-03
   0.214E+02 0.225E+02 0.393E+02   -.215E+02 -.227E+02 -.393E+02   0.118E+00 0.227E+00 -.190E-01   0.668E-03 0.111E-02 -.548E-03
   0.264E+02 -.448E+01 0.264E+02   -.267E+02 0.460E+01 -.264E+02   0.233E+00 -.117E+00 -.595E-01   0.160E-02 -.739E-03 -.654E-03
   0.914E+01 -.528E+01 0.155E+02   -.916E+01 0.529E+01 -.155E+02   0.172E-01 -.990E-02 0.653E-02   -.233E-03 0.128E-03 -.703E-03
   0.313E+01 -.338E+01 0.164E+02   -.315E+01 0.339E+01 -.164E+02   0.248E-01 -.105E-01 0.267E-03   0.198E-03 0.867E-03 -.705E-03
   -.606E+01 0.131E+02 0.198E+02   0.606E+01 -.132E+02 -.198E+02   -.542E-02 0.749E-01 -.126E-01   -.670E-03 0.112E-04 -.551E-03
   -.122E+02 0.333E+02 0.453E+02   0.123E+02 -.340E+02 -.457E+02   -.914E-01 0.674E+00 0.349E+00   -.574E-03 0.148E-02 0.884E-03
   0.262E+02 -.152E+02 0.683E+02   -.272E+02 0.157E+02 -.704E+02   0.962E+00 -.555E+00 0.208E+01   0.982E-03 -.570E-03 0.488E-02
   0.171E+02 -.207E+02 0.264E+02   -.173E+02 0.208E+02 -.264E+02   0.218E+00 -.144E+00 -.595E-01   0.144E-02 -.103E-02 -.658E-03
   0.124E+01 -.122E+02 0.185E+02   -.125E+01 0.123E+02 -.185E+02   0.536E-02 -.253E-01 -.526E-01   0.337E-03 -.662E-03 -.431E-03
   -.387E+01 0.156E+01 0.145E+02   0.388E+01 -.156E+01 -.144E+02   -.535E-02 0.150E-02 -.430E-01   -.166E-03 0.839E-03 -.475E-03
   -.181E+02 0.105E+02 0.206E+02   0.182E+02 -.105E+02 -.205E+02   -.655E-01 0.378E-01 -.127E+00   -.338E-03 0.199E-03 -.107E-02
   -.350E+02 -.609E+01 0.453E+02   0.356E+02 0.635E+01 -.457E+02   -.630E+00 -.258E+00 0.349E+00   -.157E-02 -.243E-03 0.887E-03
   -.882E+01 -.297E+02 0.393E+02   0.896E+01 0.300E+02 -.393E+02   -.137E+00 -.216E+00 -.190E-01   -.625E-03 -.114E-02 -.550E-03
   -.303E+01 -.843E+01 0.207E+02   0.305E+01 0.846E+01 -.206E+02   -.267E-01 -.218E-01 -.162E-01   0.366E-03 -.265E-03 -.186E-02
   0.127E+01 -.735E+00 0.153E+02   -.127E+01 0.734E+00 -.152E+02   -.152E-02 0.879E-03 -.340E-01   0.318E-03 -.182E-03 -.164E-02
   -.328E+01 0.257E+01 0.145E+02   0.329E+01 -.258E+01 -.144E+02   -.397E-02 0.389E-02 -.430E-01   -.807E-03 -.271E-03 -.470E-03
   -.144E+02 -.132E+01 0.198E+02   0.145E+02 0.135E+01 -.198E+02   -.676E-01 -.327E-01 -.126E-01   -.343E-03 0.573E-03 -.544E-03
   -.143E+02 -.114E+02 0.248E+02   0.144E+02 0.115E+02 -.248E+02   -.895E-01 -.629E-01 -.975E-02   -.416E-03 -.439E-03 -.856E-03
   0.303E+01 0.843E+01 0.207E+02   -.305E+01 -.845E+01 -.206E+02   0.267E-01 0.218E-01 -.162E-01   -.366E-03 0.265E-03 -.186E-02
   0.143E+02 0.114E+02 0.248E+02   -.144E+02 -.115E+02 -.248E+02   0.895E-01 0.629E-01 -.975E-02   0.416E-03 0.439E-03 -.856E-03
   0.144E+02 0.132E+01 0.198E+02   -.145E+02 -.135E+01 -.198E+02   0.676E-01 0.327E-01 -.126E-01   0.343E-03 -.573E-03 -.544E-03
   0.328E+01 -.257E+01 0.145E+02   -.329E+01 0.258E+01 -.144E+02   0.397E-02 -.389E-02 -.430E-01   0.807E-03 0.271E-03 -.470E-03
   -.127E+01 0.735E+00 0.153E+02   0.127E+01 -.734E+00 -.152E+02   0.152E-02 -.879E-03 -.340E-01   -.318E-03 0.182E-03 -.164E-02
   -.124E+01 0.122E+02 0.185E+02   0.125E+01 -.123E+02 -.185E+02   -.536E-02 0.253E-01 -.526E-01   -.336E-03 0.662E-03 -.431E-03
   0.882E+01 0.297E+02 0.393E+02   -.896E+01 -.300E+02 -.393E+02   0.137E+00 0.216E+00 -.190E-01   0.625E-03 0.114E-02 -.550E-03
   0.350E+02 0.609E+01 0.453E+02   -.356E+02 -.635E+01 -.457E+02   0.630E+00 0.258E+00 0.349E+00   0.157E-02 0.243E-03 0.887E-03
   0.181E+02 -.105E+02 0.206E+02   -.182E+02 0.105E+02 -.205E+02   0.655E-01 -.378E-01 -.127E+00   0.339E-03 -.199E-03 -.107E-02
   0.387E+01 -.156E+01 0.145E+02   -.388E+01 0.156E+01 -.144E+02   0.535E-02 -.150E-02 -.430E-01   0.166E-03 -.839E-03 -.475E-03
   -.313E+01 0.338E+01 0.164E+02   0.315E+01 -.339E+01 -.164E+02   -.248E-01 0.105E-01 0.267E-03   -.198E-03 -.867E-03 -.705E-03
   -.171E+02 0.207E+02 0.264E+02   0.173E+02 -.208E+02 -.264E+02   -.218E+00 0.144E+00 -.595E-01   -.144E-02 0.103E-02 -.658E-03
   -.262E+02 0.152E+02 0.683E+02   0.272E+02 -.157E+02 -.704E+02   -.962E+00 0.555E+00 0.208E+01   -.982E-03 0.570E-03 0.488E-02
   0.122E+02 -.333E+02 0.453E+02   -.123E+02 0.340E+02 -.457E+02   0.914E-01 -.674E+00 0.349E+00   0.574E-03 -.148E-02 0.884E-03
   0.606E+01 -.131E+02 0.198E+02   -.606E+01 0.132E+02 -.198E+02   0.542E-02 -.749E-01 -.126E-01   0.670E-03 -.113E-04 -.551E-03
   -.596E+00 -.372E+01 0.153E+02   0.598E+00 0.375E+01 -.153E+02   -.662E-02 -.195E-01 0.153E-02   0.946E-03 -.483E-04 -.738E-03
   -.914E+01 0.528E+01 0.155E+02   0.916E+01 -.529E+01 -.155E+02   -.172E-01 0.990E-02 0.653E-02   0.233E-03 -.128E-03 -.703E-03
   -.264E+02 0.448E+01 0.264E+02   0.267E+02 -.461E+01 -.264E+02   -.233E+00 0.117E+00 -.595E-01   -.160E-02 0.739E-03 -.654E-03
   -.214E+02 -.225E+02 0.393E+02   0.215E+02 0.227E+02 -.393E+02   -.118E+00 -.227E+00 -.190E-01   -.668E-03 -.111E-02 -.548E-03
   -.273E+01 -.181E+02 0.248E+02   0.274E+01 0.182E+02 -.248E+02   -.973E-02 -.109E+00 -.975E-02   -.166E-03 -.578E-03 -.859E-03
   0.196E+01 -.113E+01 0.182E+02   -.197E+01 0.114E+01 -.182E+02   0.992E-02 -.573E-02 0.394E-04   -.999E-04 0.606E-04 -.243E-02
   0.293E+01 0.238E+01 0.153E+02   -.294E+01 -.239E+01 -.153E+02   0.136E-01 0.155E-01 0.153E-02   0.517E-03 -.787E-03 -.734E-03
   -.449E+01 0.101E+01 0.164E+02   0.451E+01 -.103E+01 -.164E+02   -.215E-01 0.162E-01 0.267E-03   0.655E-03 0.609E-03 -.696E-03
   -.112E+02 -.504E+01 0.185E+02   0.112E+02 0.505E+01 -.185E+02   -.246E-01 -.798E-02 -.526E-01   -.739E-03 -.418E-04 -.425E-03
   -.579E+01 -.684E+01 0.207E+02   0.580E+01 0.687E+01 -.206E+02   -.549E-02 -.340E-01 -.162E-01   -.410E-03 0.184E-03 -.186E-02
 -----------------------------------------------------------------------------------------------
   -.183E-02 0.313E-03 0.874E+01   0.203E-12 0.711E-14 0.831E-12   -.184E-15 0.833E-16 -.868E+01   -.195E-08 0.166E-08 -.325E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85304      6.06116     12.32526         0.000000      0.000000     -0.011372
      2.26244      6.77025     13.64126         0.003903      0.006760      0.010499
      1.44365      5.35207     13.64126        -0.003903     -0.006760      0.010499
      0.00055     -0.00032      9.93350        -0.001412      0.000815      0.000565
     11.11330      2.13937      9.93604        -0.002327      0.002229     -0.000098
      9.87768      4.27908      9.95117        -0.000103     -0.002061      0.000360
      8.64410      6.41852      9.95109         0.004810      0.002005      0.001466
     -4.93684      8.55610      9.94499         0.002423     -0.002219     -0.001196
      2.47042     -0.00110      9.94499         0.003133     -0.000989     -0.001196
      1.23480      2.13635      9.95061         0.000201     -0.002528     -0.002169
     -0.00397      4.27521      9.98191         0.003328     -0.000026     -0.001636
     -1.23848      6.41636      9.98836        -0.002640      0.003372     -0.001720
     -2.46739      8.55556      9.95936        -0.001142      0.000659      0.000556
      4.93910      0.00125      9.95109         0.000668     -0.005168      0.001466
      3.70513      2.13665      9.95977         0.001773      0.001268     -0.001727
      2.47089      4.26352     10.02660        -0.001006     -0.000393      0.003981
      1.22852      6.42173     10.09927         0.002429     -0.001403      0.005688
     -0.00033      8.56089      9.98836        -0.004240      0.000600     -0.001720
      7.40869      0.00267      9.95117         0.001733      0.001120      0.000360
      6.17396      2.14017      9.95169         0.002495     -0.002544     -0.001344
      4.94079      4.27845      9.98221        -0.004047      0.002337     -0.000404
      3.71877      6.42491     10.02660        -0.000163      0.001068      0.003981
      2.47121      8.56235      9.98191         0.001686     -0.002869     -0.001636
      9.87955      0.00245      9.93604        -0.003094      0.000901     -0.000098
      8.64354      2.14067      9.94015        -0.000326      0.000188     -0.003050
      7.40918      4.27964      9.95169         0.003451     -0.000889     -0.001344
      6.17781      6.41946      9.95977        -0.000211     -0.002169     -0.001727
      4.94291      8.55898      9.95061         0.002290      0.001089     -0.002169
     -0.00046      1.42488      9.93604         0.003094     -0.000901     -0.000098
     -1.23682      3.56334      9.95061        -0.002290     -0.001089     -0.002169
     -2.47172      5.70286      9.95977         0.000211      0.002169     -0.001727
     -3.70310      7.84268      9.95169        -0.003451      0.000889     -0.001344
     -4.93745      9.98165      9.94015         0.000326     -0.000188     -0.003050
      2.47039      1.42466      9.95117        -0.001733     -0.001120      0.000360
      1.23487      3.55997      9.98191        -0.001686      0.002869     -0.001636
     -0.01268      5.69741     10.02660         0.000163     -0.001068      0.003981
     -1.23470      7.84387      9.98221         0.004047     -0.002337     -0.000404
     -2.46787      9.98215      9.95169        -0.002495      0.002544     -0.001344
      4.93999      1.42607      9.95109        -0.000668      0.005168      0.001466
      3.70642      3.56143      9.98836         0.004240     -0.000600     -0.001720
      2.47756      5.70059     10.09927        -0.002429      0.001403      0.005688
      1.23519      7.85880     10.02660         0.001006      0.000393      0.003981
      0.00096      9.98567      9.95977        -0.001773     -0.001268     -0.001727
      7.40867      1.42842      9.94499        -0.003133      0.000989     -0.001196
      6.17348      3.56676      9.95936         0.001142     -0.000659      0.000556
      4.94456      5.70596      9.98836         0.002640     -0.003372     -0.001720
      3.71005      7.84711      9.98191        -0.003328      0.000026     -0.001636
      2.47129      9.98597      9.95061        -0.000201      0.002528     -0.002169
      9.87854      1.42764      9.93350         0.001412     -0.000815      0.000565
      8.64293      3.56622      9.94499        -0.002423      0.002219     -0.001196
      7.41062      5.70534      9.95109        -0.004810     -0.002005      0.001466
      6.17704      7.84477      9.95117         0.000103      0.002061      0.000360
      4.94143      9.98449      9.93604         0.002327     -0.002229     -0.000098
 -----------------------------------------------------------------------------------
    total drift:                               -0.001830      0.000313      0.026748


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




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


    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  188.75: CPU time   94.61
     LOOP+:  VPU time 5403.92: CPU time 2778.45


----------------------------------------- Iteration   27(   1)  ---------------------------------------


    POTLOK:  VPU time    9.18: CPU time    9.12
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1650.94: CPU time  855.38
 BZINTS: Fermi energy: -3.148110;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  113.60: CPU time   57.26
    MIXING:  VPU time    0.14: CPU time    0.14
    ------------------------------------------
      LOOP:  VPU time 1774.28: CPU time  922.28

 eigenvalue-minimisations  :  5264
 total energy-change (2. order) :-0.4716452E+03  (-0.4042053E-04)
 number of electron  212.0000065 magnetization    0.0000000
 augmentation part     7.9595086 magnetization   -0.0000001

 Broyden mixing:
  rms(total) = 0.74614E-03    rms(broyden)= 0.74601E-03
  rms(prec ) = 0.82380E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34020.60924995
  -1/2 Hartree   DENC   =    -40920.51304016
  -V(xc)+E(xc)   XCENC  =       726.55382988
  PAW double counting   =      4091.67082211    -4130.03863812
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.36724588
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64516862 eV

  energy without entropy =     -471.64516862  energy(sigma->0) =     -471.64516862


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




----------------------------------------- Iteration   27(   2)  ---------------------------------------


    POTLOK:  VPU time    9.00: CPU time    9.00
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1379.42: CPU time  714.95
 BZINTS: Fermi energy: -3.147951;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1388.84: CPU time  724.33

 eigenvalue-minimisations  :  4016
 total energy-change (2. order) :-0.4867270E-05  (-0.1084793E-05)
 number of electron  212.0000065 magnetization    0.0000000
 augmentation part     7.9595086 magnetization   -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34020.60924995
  -1/2 Hartree   DENC   =    -40920.57300814
  -V(xc)+E(xc)   XCENC  =       726.55628345
  PAW double counting   =      4091.78094301    -4130.14931879
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.30917656
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64517348 eV

  energy without entropy =     -471.64517348  energy(sigma->0) =     -471.64517348


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




 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 -58.5317       2 -39.9761       3 -39.9761       4 -58.2471       5 -58.2516
       6 -58.2588       7 -58.2496       8 -58.2479       9 -58.2479      10 -58.2637
      11 -58.3182      12 -58.2950      13 -58.2527      14 -58.2496      15 -58.2606
      16 -58.4394      17 -58.7318      18 -58.2950      19 -58.2588      20 -58.2533
      21 -58.2802      22 -58.4394      23 -58.3182      24 -58.2516      25 -58.2466
      26 -58.2533      27 -58.2606      28 -58.2637      29 -58.2515      30 -58.2636
      31 -58.2604      32 -58.2532      33 -58.2465      34 -58.2587      35 -58.3181
      36 -58.4393      37 -58.2801      38 -58.2532      39 -58.2495      40 -58.2949
      41 -58.7317      42 -58.4393      43 -58.2605      44 -58.2478      45 -58.2526
      46 -58.2949      47 -58.3181      48 -58.2636      49 -58.2470      50 -58.2478
      51 -58.2495      52 -58.2587      53 -58.2515
 
 
 
 E-fermi :  -3.1480     XC(G=0):  -2.3356     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     -21.5351      1.00000
      3     -21.4068      1.00000
      4     -21.4061      1.00000
      5     -21.3748      1.00000
      6     -21.3659      1.00000
      7     -21.3585      1.00000
      8     -19.6452      1.00000
      9     -19.5722      1.00000
     10     -19.5651      1.00000
     11     -19.5588      1.00000
     12     -19.5406      1.00000
     13     -19.5379      1.00000
     14     -18.7278      1.00000
     15     -18.6798      1.00000
     16     -18.6722      1.00000
     17     -18.6589      1.00000
     18     -18.6438      1.00000
     19     -18.6422      1.00000
     20     -16.5860      1.00000
     21     -16.5271      1.00000
     22     -16.5248      1.00000
     23     -16.5122      1.00000
     24     -16.4879      1.00000
     25     -16.4860      1.00000
     26     -15.5586      1.00000
     27     -15.5266      1.00000
     28     -15.5259      1.00000
     29     -15.5001      1.00000
     30     -15.4950      1.00000
     31     -15.4896      1.00000
     32     -14.2065      1.00000
     33     -14.1807      1.00000
     34     -14.1681      1.00000
     35     -14.1659      1.00000
     36     -14.1606      1.00000
     37     -14.1495      1.00000
     38     -11.8833      1.00000
     39     -11.8092      1.00000
     40     -11.7933      1.00000
     41     -11.7931      1.00000
     42     -11.7898      1.00000
     43     -11.7841      1.00000
     44     -11.7052      1.00000
     45     -11.6990      1.00000
     46     -11.6732      1.00000
     47     -11.6586      1.00000
     48     -11.6584      1.00000
     49     -11.6514      1.00000
     50     -10.6694      1.00000
     51     -10.3295      1.00000
     52     -10.3217      1.00000
     53     -10.3063      1.00000
     54     -10.3049      1.00000
     55     -10.2920      1.00000
     56     -10.2790      1.00000
     57      -9.9226      1.00000
     58      -9.3723      1.00000
     59      -9.3594      1.00000
     60      -9.3004      1.00000
     61      -9.2923      1.00000
     62      -9.2854      1.00000
     63      -9.0924      1.00000
     64      -9.0554      1.00000
     65      -9.0505      1.00000
     66      -9.0277      1.00000
     67      -9.0084      1.00000
     68      -9.0031      1.00000
     69      -9.0019      1.00000
     70      -8.9961      1.00000
     71      -8.9934      1.00000
     72      -8.9739      1.00000
     73      -8.9662      1.00000
     74      -8.9560      1.00000
     75      -8.4877      1.00000
     76      -7.5175      1.00000
     77      -7.4119      1.00000
     78      -7.4118      1.00000
     79      -7.3973      1.00000
     80      -7.3850      1.00000
     81      -7.3658      1.00000
     82      -7.3429      1.00000
     83      -7.3128      1.00000
     84      -7.2668      1.00000
     85      -7.2068      1.00000
     86      -7.1806      1.00000
     87      -7.1804      1.00000
     88      -7.0811      1.00000
     89      -6.5069      1.00000
     90      -6.4610      1.00000
     91      -6.3551      1.00000
     92      -6.2949      1.00000
     93      -6.2889      1.00000
     94      -6.2876      1.00000
     95      -5.8990      1.00000
     96      -5.8869      1.00000
     97      -5.0407      1.00000
     98      -4.9359      1.00000
     99      -4.5365      1.00000
    100      -4.3423      1.00000
    101      -4.3196      1.00000
    102      -4.3184      1.00000
    103      -4.1184      1.00000
    104      -3.9130      1.00000
    105      -3.9027      1.00000
    106      -3.8249      1.00000
    107      -1.6832      0.00000
    108      -1.6700      0.00000
    109      -1.5387      0.00000
    110      -1.5369      0.00000
    111      -1.5256      0.00000
    112      -1.5114      0.00000
    113      -0.5900      0.00000
    114       0.1312      0.00000
    115       0.2045      0.00000
    116       0.3224      0.00000
    117       0.3239      0.00000
    118       0.3315      0.00000
    119       0.4915      0.00000
    120       0.6065      0.00000
    121       1.2599      0.00000
    122       1.2876      0.00000
    123       1.5411      0.00000
    124       1.7655      0.00000
    125       1.8141      0.00000
    126       1.8177      0.00000
    127       1.8231      0.00000
    128       1.9446      0.00000
    129       1.9900      0.00000
    130       2.0286      0.00000
    131       2.0425      0.00000
    132       2.0476      0.00000
    133       2.0547      0.00000
    134       2.0635      0.00000
    135       2.3183      0.00000
    136       2.3250      0.00000
    137       2.6452      0.00000
    138       2.6532      0.00000
    139       2.6852      0.00000
    140       2.7472      0.00000
    141       2.8858      0.00000
    142       3.0053      0.00000
    143       3.0264      0.00000
    144       3.0518      0.00000
    145       3.0548      0.00000
    146       3.0561      0.00000
    147       3.0973      0.00000
    148       3.2511      0.00000
    149       3.4446      0.00000
    150       3.5594      0.00000
    151       3.7864      0.00000
    152       3.9531      0.00000
    153       3.9752      0.00000
    154       3.9804      0.00000
    155       3.9839      0.00000
    156       4.0116      0.00000
    157       4.1921      0.00000
    158       4.2718      0.00000
    159       4.2921      0.00000
    160       4.2935      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     -21.5702      1.00000
      4     -21.5378      1.00000
      5     -21.2073      1.00000
      6     -21.1629      1.00000
      7     -20.9871      1.00000
      8     -20.1013      1.00000
      9     -20.0577      1.00000
     10     -19.5461      1.00000
     11     -19.5217      1.00000
     12     -19.3492      1.00000
     13     -19.0245      1.00000
     14     -18.9898      1.00000
     15     -18.9817      1.00000
     16     -18.9695      1.00000
     17     -18.2976      1.00000
     18     -18.2785      1.00000
     19     -17.9524      1.00000
     20     -17.0098      1.00000
     21     -16.9603      1.00000
     22     -16.8792      1.00000
     23     -16.8696      1.00000
     24     -16.4055      1.00000
     25     -16.3909      1.00000
     26     -15.5520      1.00000
     27     -15.5362      1.00000
     28     -15.1980      1.00000
     29     -15.1697      1.00000
     30     -15.1151      1.00000
     31     -15.0282      1.00000
     32     -15.0036      1.00000
     33     -14.6367      1.00000
     34     -14.6250      1.00000
     35     -13.6679      1.00000
     36     -13.6527      1.00000
     37     -13.1704      1.00000
     38     -12.5518      1.00000
     39     -12.5190      1.00000
     40     -12.3914      1.00000
     41     -12.3784      1.00000
     42     -12.0581      1.00000
     43     -12.0355      1.00000
     44     -11.6594      1.00000
     45     -11.6178      1.00000
     46     -11.1813      1.00000
     47     -11.1582      1.00000
     48     -10.9651      1.00000
     49     -10.9415      1.00000
     50     -10.8737      1.00000
     51     -10.8380      1.00000
     52     -10.5994      1.00000
     53     -10.0937      1.00000
     54     -10.0893      1.00000
     55     -10.0457      1.00000
     56      -9.9700      1.00000
     57      -9.6544      1.00000
     58      -9.6302      1.00000
     59      -9.5921      1.00000
     60      -9.5301      1.00000
     61      -9.5118      1.00000
     62      -9.4799      1.00000
     63      -9.2640      1.00000
     64      -9.2422      1.00000
     65      -9.2214      1.00000
     66      -9.1673      1.00000
     67      -9.0687      1.00000
     68      -9.0478      1.00000
     69      -9.0420      1.00000
     70      -8.8825      1.00000
     71      -8.8074      1.00000
     72      -8.5757      1.00000
     73      -8.5238      1.00000
     74      -8.4549      1.00000
     75      -8.0367      1.00000
     76      -7.8102      1.00000
     77      -7.8071      1.00000
     78      -7.7934      1.00000
     79      -7.7014      1.00000
     80      -7.6922      1.00000
     81      -7.3689      1.00000
     82      -7.2742      1.00000
     83      -7.2661      1.00000
     84      -7.2180      1.00000
     85      -7.1733      1.00000
     86      -7.0098      1.00000
     87      -6.9489      1.00000
     88      -6.7456      1.00000
     89      -6.6724      1.00000
     90      -6.5954      1.00000
     91      -6.5602      1.00000
     92      -6.0520      1.00000
     93      -6.0469      1.00000
     94      -6.0224      1.00000
     95      -5.9605      1.00000
     96      -5.7370      1.00000
     97      -5.1512      1.00000
     98      -4.9886      1.00000
     99      -4.7184      1.00000
    100      -4.6122      1.00000
    101      -4.4400      1.00000
    102      -4.3743      1.00000
    103      -4.1224      1.00000
    104      -3.8692      1.00000
    105      -3.8263      1.00000
    106      -3.7915      1.00000
    107      -1.7872      0.00000
    108      -1.7406      0.00000
    109      -1.3964      0.00000
    110      -1.3480      0.00000
    111      -1.2671      0.00000
    112      -1.2282      0.00000
    113      -0.7480      0.00000
    114      -0.3826      0.00000
    115      -0.2226      0.00000
    116      -0.0226      0.00000
    117       0.5950      0.00000
    118       0.7386      0.00000
    119       0.7629      0.00000
    120       1.0484      0.00000
    121       1.1391      0.00000
    122       1.2496      0.00000
    123       1.2783      0.00000
    124       1.4230      0.00000
    125       1.4892      0.00000
    126       1.6007      0.00000
    127       1.7514      0.00000
    128       1.8399      0.00000
    129       1.8921      0.00000
    130       1.9600      0.00000
    131       2.0996      0.00000
    132       2.2537      0.00000
    133       2.2604      0.00000
    134       2.3204      0.00000
    135       2.5013      0.00000
    136       2.6032      0.00000
    137       2.6493      0.00000
    138       2.7833      0.00000
    139       2.8026      0.00000
    140       2.8276      0.00000
    141       2.8690      0.00000
    142       2.8867      0.00000
    143       2.9468      0.00000
    144       3.1144      0.00000
    145       3.2978      0.00000
    146       3.3145      0.00000
    147       3.3539      0.00000
    148       3.3783      0.00000
    149       3.4809      0.00000
    150       3.5847      0.00000
    151       3.6311      0.00000
    152       3.6863      0.00000
    153       3.7208      0.00000
    154       3.9276      0.00000
    155       3.9420      0.00000
    156       3.9942      0.00000
    157       4.0878      0.00000
    158       4.2170      0.00000
    159       4.2689      0.00000
    160       4.3062      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2135      1.00000
      2     -22.0076      1.00000
      3     -21.6488      1.00000
      4     -21.6121      1.00000
      5     -20.9125      1.00000
      6     -20.8667      1.00000
      7     -20.5453      1.00000
      8     -20.5064      1.00000
      9     -20.4960      1.00000
     10     -19.9636      1.00000
     11     -19.4423      1.00000
     12     -19.4155      1.00000
     13     -19.2418      1.00000
     14     -19.2275      1.00000
     15     -18.3841      1.00000
     16     -18.3404      1.00000
     17     -17.8603      1.00000
     18     -17.8395      1.00000
     19     -17.6981      1.00000
     20     -17.6559      1.00000
     21     -17.3725      1.00000
     22     -17.3567      1.00000
     23     -17.2750      1.00000
     24     -16.4019      1.00000
     25     -16.3872      1.00000
     26     -15.8968      1.00000
     27     -15.3528      1.00000
     28     -15.3376      1.00000
     29     -15.0351      1.00000
     30     -15.0214      1.00000
     31     -14.8003      1.00000
     32     -14.7758      1.00000
     33     -14.2226      1.00000
     34     -14.1908      1.00000
     35     -13.3717      1.00000
     36     -13.3384      1.00000
     37     -13.1206      1.00000
     38     -13.1033      1.00000
     39     -12.9164      1.00000
     40     -12.9031      1.00000
     41     -12.5576      1.00000
     42     -12.5398      1.00000
     43     -12.1341      1.00000
     44     -11.5220      1.00000
     45     -11.4747      1.00000
     46     -11.2540      1.00000
     47     -11.2206      1.00000
     48     -11.0806      1.00000
     49     -10.6572      1.00000
     50     -10.5902      1.00000
     51     -10.5215      1.00000
     52     -10.2585      1.00000
     53     -10.2500      1.00000
     54     -10.1224      1.00000
     55     -10.0500      1.00000
     56     -10.0424      1.00000
     57      -9.7685      1.00000
     58      -9.7059      1.00000
     59      -9.6807      1.00000
     60      -9.6318      1.00000
     61      -9.6277      1.00000
     62      -9.5879      1.00000
     63      -9.2953      1.00000
     64      -9.2863      1.00000
     65      -9.2542      1.00000
     66      -9.0841      1.00000
     67      -8.8983      1.00000
     68      -8.8843      1.00000
     69      -8.7249      1.00000
     70      -8.5869      1.00000
     71      -8.5151      1.00000
     72      -8.3311      1.00000
     73      -8.3027      1.00000
     74      -8.2654      1.00000
     75      -8.2340      1.00000
     76      -8.1966      1.00000
     77      -8.1878      1.00000
     78      -8.1721      1.00000
     79      -8.0963      1.00000
     80      -7.6883      1.00000
     81      -7.3613      1.00000
     82      -7.3121      1.00000
     83      -7.2672      1.00000
     84      -7.1885      1.00000
     85      -7.1271      1.00000
     86      -7.0773      1.00000
     87      -6.9074      1.00000
     88      -6.8833      1.00000
     89      -6.5510      1.00000
     90      -6.4944      1.00000
     91      -6.2114      1.00000
     92      -6.0685      1.00000
     93      -5.9413      1.00000
     94      -5.7136      1.00000
     95      -5.6334      1.00000
     96      -5.4524      1.00000
     97      -5.3050      1.00000
     98      -5.2350      1.00000
     99      -5.1532      1.00000
    100      -5.1525      1.00000
    101      -4.5202      1.00000
    102      -4.4713      1.00000
    103      -4.1406      1.00000
    104      -3.8292      1.00000
    105      -3.7582      1.00000
    106      -3.6819      1.00000
    107      -1.8731      0.00000
    108      -1.8261      0.00000
    109      -1.2789      0.00000
    110      -1.0381      0.00000
    111      -1.0142      0.00000
    112      -0.7149      0.00000
    113      -0.6421      0.00000
    114      -0.5909      0.00000
    115      -0.5484      0.00000
    116      -0.2077      0.00000
    117       0.2495      0.00000
    118       0.2760      0.00000
    119       0.7683      0.00000
    120       0.9497      0.00000
    121       1.1344      0.00000
    122       1.2303      0.00000
    123       1.3227      0.00000
    124       1.4169      0.00000
    125       1.6111      0.00000
    126       1.6333      0.00000
    127       1.7233      0.00000
    128       1.8222      0.00000
    129       1.9359      0.00000
    130       2.0351      0.00000
    131       2.0774      0.00000
    132       2.2951      0.00000
    133       2.3982      0.00000
    134       2.4512      0.00000
    135       2.5553      0.00000
    136       2.6463      0.00000
    137       2.7230      0.00000
    138       2.7940      0.00000
    139       2.8471      0.00000
    140       2.9007      0.00000
    141       3.0591      0.00000
    142       3.1044      0.00000
    143       3.2081      0.00000
    144       3.2538      0.00000
    145       3.3976      0.00000
    146       3.4317      0.00000
    147       3.5070      0.00000
    148       3.5934      0.00000
    149       3.6166      0.00000
    150       3.6326      0.00000
    151       3.6547      0.00000
    152       3.7440      0.00000
    153       3.7629      0.00000
    154       3.7767      0.00000
    155       3.8055      0.00000
    156       3.9032      0.00000
    157       3.9952      0.00000
    158       4.0193      0.00000
    159       4.1956      0.00000
    160       4.2287      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2473      1.00000
      2     -21.8931      1.00000
      3     -21.8229      1.00000
      4     -21.3112      1.00000
      5     -21.2813      1.00000
      6     -20.7701      1.00000
      7     -20.7046      1.00000
      8     -20.5560      1.00000
      9     -20.0086      1.00000
     10     -20.0014      1.00000
     11     -19.6478      1.00000
     12     -19.6237      1.00000
     13     -18.9293      1.00000
     14     -18.9212      1.00000
     15     -18.5706      1.00000
     16     -18.5570      1.00000
     17     -18.3940      1.00000
     18     -17.6149      1.00000
     19     -17.5592      1.00000
     20     -17.5539      1.00000
     21     -17.5124      1.00000
     22     -17.0561      1.00000
     23     -17.0388      1.00000
     24     -16.8923      1.00000
     25     -15.9305      1.00000
     26     -15.8673      1.00000
     27     -15.5167      1.00000
     28     -15.5157      1.00000
     29     -15.2288      1.00000
     30     -14.7949      1.00000
     31     -14.7679      1.00000
     32     -14.5159      1.00000
     33     -14.4718      1.00000
     34     -14.1025      1.00000
     35     -14.0911      1.00000
     36     -13.0774      1.00000
     37     -13.0330      1.00000
     38     -12.9673      1.00000
     39     -12.9555      1.00000
     40     -12.6458      1.00000
     41     -12.6395      1.00000
     42     -12.2744      1.00000
     43     -12.2430      1.00000
     44     -11.5877      1.00000
     45     -11.5616      1.00000
     46     -11.5071      1.00000
     47     -10.9041      1.00000
     48     -10.8516      1.00000
     49     -10.6190      1.00000
     50     -10.5600      1.00000
     51     -10.4844      1.00000
     52     -10.4344      1.00000
     53     -10.4244      1.00000
     54     -10.3724      1.00000
     55     -10.2944      1.00000
     56     -10.0639      1.00000
     57      -9.8331      1.00000
     58      -9.5489      1.00000
     59      -9.4890      1.00000
     60      -9.4682      1.00000
     61      -9.3473      1.00000
     62      -9.3316      1.00000
     63      -9.3113      1.00000
     64      -9.3091      1.00000
     65      -9.2141      1.00000
     66      -9.1124      1.00000
     67      -9.0821      1.00000
     68      -9.0508      1.00000
     69      -8.8459      1.00000
     70      -8.7942      1.00000
     71      -8.7745      1.00000
     72      -8.5273      1.00000
     73      -8.4739      1.00000
     74      -8.2184      1.00000
     75      -8.1106      1.00000
     76      -8.1006      1.00000
     77      -7.8074      1.00000
     78      -7.7841      1.00000
     79      -7.7824      1.00000
     80      -7.6731      1.00000
     81      -7.6331      1.00000
     82      -7.6315      1.00000
     83      -7.4040      1.00000
     84      -7.3248      1.00000
     85      -7.2071      1.00000
     86      -6.8411      1.00000
     87      -6.8307      1.00000
     88      -6.6593      1.00000
     89      -6.5391      1.00000
     90      -6.3457      1.00000
     91      -6.3074      1.00000
     92      -6.1855      1.00000
     93      -6.1486      1.00000
     94      -5.9782      1.00000
     95      -5.5721      1.00000
     96      -5.4265      1.00000
     97      -5.2597      1.00000
     98      -5.2454      1.00000
     99      -5.1497      1.00000
    100      -4.6961      1.00000
    101      -4.6664      1.00000
    102      -4.3512      1.00000
    103      -4.3126      1.00000
    104      -3.9641      1.00000
    105      -3.8214      1.00000
    106      -3.3923      1.00000
    107      -2.2221      0.00000
    108      -1.3784      0.00000
    109      -1.2885      0.00000
    110      -1.1755      0.00000
    111      -1.0801      0.00000
    112      -0.8960      0.00000
    113      -0.7705      0.00000
    114      -0.7597      0.00000
    115      -0.2241      0.00000
    116       0.1106      0.00000
    117       0.2614      0.00000
    118       0.3433      0.00000
    119       0.7427      0.00000
    120       0.9032      0.00000
    121       0.9710      0.00000
    122       1.0991      0.00000
    123       1.2148      0.00000
    124       1.5363      0.00000
    125       1.5888      0.00000
    126       1.7226      0.00000
    127       1.8369      0.00000
    128       1.8607      0.00000
    129       1.9537      0.00000
    130       2.0281      0.00000
    131       2.1503      0.00000
    132       2.2942      0.00000
    133       2.4225      0.00000
    134       2.4779      0.00000
    135       2.4791      0.00000
    136       2.6640      0.00000
    137       2.6869      0.00000
    138       2.7471      0.00000
    139       2.7607      0.00000
    140       2.9097      0.00000
    141       3.0372      0.00000
    142       3.1004      0.00000
    143       3.1805      0.00000
    144       3.2261      0.00000
    145       3.2638      0.00000
    146       3.2848      0.00000
    147       3.3797      0.00000
    148       3.4966      0.00000
    149       3.5518      0.00000
    150       3.7116      0.00000
    151       3.7640      0.00000
    152       3.7689      0.00000
    153       3.8357      0.00000
    154       3.9015      0.00000
    155       3.9637      0.00000
    156       3.9884      0.00000
    157       4.0057      0.00000
    158       4.0458      0.00000
    159       4.0502      0.00000
    160       4.0951      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1409      1.00000
      2     -22.0468      1.00000
      3     -21.8864      1.00000
      4     -21.3344      1.00000
      5     -20.9813      1.00000
      6     -20.9433      1.00000
      7     -20.4329      1.00000
      8     -20.3909      1.00000
      9     -20.2265      1.00000
     10     -20.2053      1.00000
     11     -19.8888      1.00000
     12     -19.8218      1.00000
     13     -18.8147      1.00000
     14     -18.7443      1.00000
     15     -18.2898      1.00000
     16     -18.2370      1.00000
     17     -18.0861      1.00000
     18     -18.0663      1.00000
     19     -17.7617      1.00000
     20     -17.7197      1.00000
     21     -17.1892      1.00000
     22     -17.1708      1.00000
     23     -17.1004      1.00000
     24     -17.0645      1.00000
     25     -16.0381      1.00000
     26     -15.8230      1.00000
     27     -15.8001      1.00000
     28     -15.7654      1.00000
     29     -15.1745      1.00000
     30     -14.4915      1.00000
     31     -14.4592      1.00000
     32     -14.2188      1.00000
     33     -13.8959      1.00000
     34     -13.8909      1.00000
     35     -13.7569      1.00000
     36     -13.7370      1.00000
     37     -13.5522      1.00000
     38     -13.5041      1.00000
     39     -13.3000      1.00000
     40     -12.5646      1.00000
     41     -12.1256      1.00000
     42     -12.0672      1.00000
     43     -12.0102      1.00000
     44     -11.9522      1.00000
     45     -11.6117      1.00000
     46     -11.5892      1.00000
     47     -11.0857      1.00000
     48     -11.0533      1.00000
     49     -10.7523      1.00000
     50     -10.6650      1.00000
     51     -10.5219      1.00000
     52     -10.1494      1.00000
     53     -10.1392      1.00000
     54     -10.0964      1.00000
     55      -9.9538      1.00000
     56      -9.9479      1.00000
     57      -9.9180      1.00000
     58      -9.7385      1.00000
     59      -9.7323      1.00000
     60      -9.7020      1.00000
     61      -9.6921      1.00000
     62      -9.4274      1.00000
     63      -9.3634      1.00000
     64      -9.0840      1.00000
     65      -9.0076      1.00000
     66      -8.9759      1.00000
     67      -8.8892      1.00000
     68      -8.8115      1.00000
     69      -8.6583      1.00000
     70      -8.6361      1.00000
     71      -8.5762      1.00000
     72      -8.4795      1.00000
     73      -8.4682      1.00000
     74      -8.3991      1.00000
     75      -8.3956      1.00000
     76      -8.1839      1.00000
     77      -8.1122      1.00000
     78      -7.9776      1.00000
     79      -7.9133      1.00000
     80      -7.8481      1.00000
     81      -7.6157      1.00000
     82      -7.5312      1.00000
     83      -7.4707      1.00000
     84      -7.2668      1.00000
     85      -6.9357      1.00000
     86      -6.8599      1.00000
     87      -6.8132      1.00000
     88      -6.5722      1.00000
     89      -6.4681      1.00000
     90      -6.4223      1.00000
     91      -6.3576      1.00000
     92      -6.0503      1.00000
     93      -5.8773      1.00000
     94      -5.7536      1.00000
     95      -5.7224      1.00000
     96      -5.4758      1.00000
     97      -5.3459      1.00000
     98      -5.1810      1.00000
     99      -5.1569      1.00000
    100      -5.1558      1.00000
    101      -4.7074      1.00000
    102      -4.4421      1.00000
    103      -4.2535      1.00000
    104      -3.9950      1.00000
    105      -3.8203      1.00000
    106      -3.1586      1.00000
    107      -2.4652      0.00000
    108      -1.3802      0.00000
    109      -1.2432      0.00000
    110      -1.1485      0.00000
    111      -1.1168      0.00000
    112      -0.5670      0.00000
    113      -0.4373      0.00000
    114      -0.4328      0.00000
    115      -0.3126      0.00000
    116      -0.1931      0.00000
    117       0.0592      0.00000
    118       0.1134      0.00000
    119       0.5378      0.00000
    120       0.6816      0.00000
    121       0.8792      0.00000
    122       0.9770      0.00000
    123       1.1188      0.00000
    124       1.5033      0.00000
    125       1.6770      0.00000
    126       1.8364      0.00000
    127       1.8938      0.00000
    128       2.1016      0.00000
    129       2.1166      0.00000
    130       2.1775      0.00000
    131       2.2175      0.00000
    132       2.3375      0.00000
    133       2.3383      0.00000
    134       2.4844      0.00000
    135       2.5661      0.00000
    136       2.6859      0.00000
    137       2.8879      0.00000
    138       2.9358      0.00000
    139       2.9776      0.00000
    140       3.0175      0.00000
    141       3.0631      0.00000
    142       3.1530      0.00000
    143       3.1660      0.00000
    144       3.2643      0.00000
    145       3.3036      0.00000
    146       3.3414      0.00000
    147       3.3520      0.00000
    148       3.3871      0.00000
    149       3.4238      0.00000
    150       3.5106      0.00000
    151       3.5635      0.00000
    152       3.6331      0.00000
    153       3.6681      0.00000
    154       3.7091      0.00000
    155       3.7258      0.00000
    156       3.9318      0.00000
    157       3.9534      0.00000
    158       4.0747      0.00000
    159       4.1153      0.00000
    160       4.2271      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2472      1.00000
      2     -21.8945      1.00000
      3     -21.8216      1.00000
      4     -21.3158      1.00000
      5     -21.2774      1.00000
      6     -20.7711      1.00000
      7     -20.7027      1.00000
      8     -20.5544      1.00000
      9     -20.0225      1.00000
     10     -19.9906      1.00000
     11     -19.6502      1.00000
     12     -19.6195      1.00000
     13     -18.9432      1.00000
     14     -18.9090      1.00000
     15     -18.5841      1.00000
     16     -18.5470      1.00000
     17     -18.3924      1.00000
     18     -17.6019      1.00000
     19     -17.5711      1.00000
     20     -17.5419      1.00000
     21     -17.5092      1.00000
     22     -17.0747      1.00000
     23     -17.0282      1.00000
     24     -16.9008      1.00000
     25     -15.9461      1.00000
     26     -15.8513      1.00000
     27     -15.5334      1.00000
     28     -15.5071      1.00000
     29     -15.2100      1.00000
     30     -14.8140      1.00000
     31     -14.7621      1.00000
     32     -14.5102      1.00000
     33     -14.4688      1.00000
     34     -14.0968      1.00000
     35     -14.0938      1.00000
     36     -13.1052      1.00000
     37     -13.0300      1.00000
     38     -12.9575      1.00000
     39     -12.9506      1.00000
     40     -12.6564      1.00000
     41     -12.6284      1.00000
     42     -12.2744      1.00000
     43     -12.2475      1.00000
     44     -11.5738      1.00000
     45     -11.5546      1.00000
     46     -11.5012      1.00000
     47     -10.8782      1.00000
     48     -10.8690      1.00000
     49     -10.6789      1.00000
     50     -10.5264      1.00000
     51     -10.5201      1.00000
     52     -10.4343      1.00000
     53     -10.4166      1.00000
     54     -10.3711      1.00000
     55     -10.2888      1.00000
     56     -10.0593      1.00000
     57      -9.8321      1.00000
     58      -9.5589      1.00000
     59      -9.4857      1.00000
     60      -9.4431      1.00000
     61      -9.3565      1.00000
     62      -9.3403      1.00000
     63      -9.3089      1.00000
     64      -9.3031      1.00000
     65      -9.2060      1.00000
     66      -9.1006      1.00000
     67      -9.0699      1.00000
     68      -9.0501      1.00000
     69      -8.8484      1.00000
     70      -8.7978      1.00000
     71      -8.7783      1.00000
     72      -8.5269      1.00000
     73      -8.4947      1.00000
     74      -8.2234      1.00000
     75      -8.1304      1.00000
     76      -8.0941      1.00000
     77      -7.8073      1.00000
     78      -7.7688      1.00000
     79      -7.7402      1.00000
     80      -7.7018      1.00000
     81      -7.6372      1.00000
     82      -7.6259      1.00000
     83      -7.3897      1.00000
     84      -7.3454      1.00000
     85      -7.2259      1.00000
     86      -6.8449      1.00000
     87      -6.8226      1.00000
     88      -6.6379      1.00000
     89      -6.5300      1.00000
     90      -6.3432      1.00000
     91      -6.2730      1.00000
     92      -6.1958      1.00000
     93      -6.1336      1.00000
     94      -6.0203      1.00000
     95      -5.6342      1.00000
     96      -5.5086      1.00000
     97      -5.2986      1.00000
     98      -5.1572      1.00000
     99      -5.0398      1.00000
    100      -4.7255      1.00000
    101      -4.6864      1.00000
    102      -4.3695      1.00000
    103      -4.1842      1.00000
    104      -4.0078      1.00000
    105      -3.8198      1.00000
    106      -3.4861      1.00000
    107      -2.1668      0.00000
    108      -1.3849      0.00000
    109      -1.2378      0.00000
    110      -1.1875      0.00000
    111      -1.0163      0.00000
    112      -0.9579      0.00000
    113      -0.7996      0.00000
    114      -0.7545      0.00000
    115      -0.3705      0.00000
    116       0.2426      0.00000
    117       0.2741      0.00000
    118       0.3614      0.00000
    119       0.7087      0.00000
    120       0.8674      0.00000
    121       0.9634      0.00000
    122       1.1319      0.00000
    123       1.2451      0.00000
    124       1.4598      0.00000
    125       1.5834      0.00000
    126       1.7847      0.00000
    127       1.8478      0.00000
    128       1.8743      0.00000
    129       2.0022      0.00000
    130       2.0412      0.00000
    131       2.1854      0.00000
    132       2.2332      0.00000
    133       2.4151      0.00000
    134       2.4230      0.00000
    135       2.5196      0.00000
    136       2.6577      0.00000
    137       2.6826      0.00000
    138       2.7417      0.00000
    139       2.7879      0.00000
    140       2.8772      0.00000
    141       2.9877      0.00000
    142       3.0987      0.00000
    143       3.1686      0.00000
    144       3.2224      0.00000
    145       3.2666      0.00000
    146       3.3048      0.00000
    147       3.3520      0.00000
    148       3.4970      0.00000
    149       3.5343      0.00000
    150       3.7196      0.00000
    151       3.7373      0.00000
    152       3.7689      0.00000
    153       3.8691      0.00000
    154       3.8809      0.00000
    155       3.9110      0.00000
    156       3.9809      0.00000
    157       4.0106      0.00000
    158       4.0519      0.00000
    159       4.0568      0.00000
    160       4.0947      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3192      1.00000
      2     -21.7610      1.00000
      3     -21.5675      1.00000
      4     -21.5406      1.00000
      5     -21.2046      1.00000
      6     -21.1662      1.00000
      7     -20.9858      1.00000
      8     -20.0984      1.00000
      9     -20.0601      1.00000
     10     -19.5463      1.00000
     11     -19.5262      1.00000
     12     -19.3451      1.00000
     13     -19.0280      1.00000
     14     -18.9884      1.00000
     15     -18.9779      1.00000
     16     -18.9722      1.00000
     17     -18.2963      1.00000
     18     -18.2827      1.00000
     19     -17.9468      1.00000
     20     -17.0006      1.00000
     21     -16.9604      1.00000
     22     -16.8834      1.00000
     23     -16.8705      1.00000
     24     -16.4165      1.00000
     25     -16.3942      1.00000
     26     -15.5411      1.00000
     27     -15.5379      1.00000
     28     -15.1734      1.00000
     29     -15.1721      1.00000
     30     -15.1312      1.00000
     31     -15.0370      1.00000
     32     -15.0017      1.00000
     33     -14.6339      1.00000
     34     -14.6272      1.00000
     35     -13.6634      1.00000
     36     -13.6538      1.00000
     37     -13.1718      1.00000
     38     -12.5735      1.00000
     39     -12.5144      1.00000
     40     -12.3861      1.00000
     41     -12.3857      1.00000
     42     -12.0364      1.00000
     43     -12.0326      1.00000
     44     -11.6552      1.00000
     45     -11.6155      1.00000
     46     -11.2066      1.00000
     47     -11.1582      1.00000
     48     -10.9557      1.00000
     49     -10.9431      1.00000
     50     -10.8610      1.00000
     51     -10.8291      1.00000
     52     -10.6210      1.00000
     53     -10.1460      1.00000
     54     -10.0853      1.00000
     55     -10.0260      1.00000
     56      -9.9445      1.00000
     57      -9.6318      1.00000
     58      -9.6303      1.00000
     59      -9.6032      1.00000
     60      -9.5412      1.00000
     61      -9.5048      1.00000
     62      -9.4797      1.00000
     63      -9.2720      1.00000
     64      -9.2366      1.00000
     65      -9.2074      1.00000
     66      -9.1806      1.00000
     67      -9.0627      1.00000
     68      -9.0482      1.00000
     69      -9.0446      1.00000
     70      -8.8770      1.00000
     71      -8.8098      1.00000
     72      -8.5343      1.00000
     73      -8.5336      1.00000
     74      -8.4954      1.00000
     75      -8.0325      1.00000
     76      -7.8329      1.00000
     77      -7.7978      1.00000
     78      -7.7749      1.00000
     79      -7.7048      1.00000
     80      -7.6860      1.00000
     81      -7.4192      1.00000
     82      -7.2891      1.00000
     83      -7.2532      1.00000
     84      -7.2027      1.00000
     85      -7.0808      1.00000
     86      -7.0796      1.00000
     87      -6.9400      1.00000
     88      -6.7103      1.00000
     89      -6.6743      1.00000
     90      -6.6299      1.00000
     91      -6.5584      1.00000
     92      -6.0727      1.00000
     93      -6.0322      1.00000
     94      -6.0020      1.00000
     95      -5.9391      1.00000
     96      -5.7994      1.00000
     97      -5.1780      1.00000
     98      -4.8933      1.00000
     99      -4.7931      1.00000
    100      -4.6123      1.00000
    101      -4.5136      1.00000
    102      -4.1398      1.00000
    103      -4.0921      1.00000
    104      -3.9326      1.00000
    105      -3.9170      1.00000
    106      -3.8193      1.00000
    107      -1.7538      0.00000
    108      -1.6988      0.00000
    109      -1.4119      0.00000
    110      -1.3734      0.00000
    111      -1.2668      0.00000
    112      -1.2378      0.00000
    113      -0.6277      0.00000
    114      -0.6007      0.00000
    115      -0.1921      0.00000
    116       0.0380      0.00000
    117       0.5911      0.00000
    118       0.7410      0.00000
    119       0.8465      0.00000
    120       0.9277      0.00000
    121       1.1649      0.00000
    122       1.2143      0.00000
    123       1.2479      0.00000
    124       1.4382      0.00000
    125       1.6027      0.00000
    126       1.6518      0.00000
    127       1.7160      0.00000
    128       1.7903      0.00000
    129       1.9169      0.00000
    130       1.9368      0.00000
    131       2.1501      0.00000
    132       2.1862      0.00000
    133       2.2661      0.00000
    134       2.3236      0.00000
    135       2.5620      0.00000
    136       2.5892      0.00000
    137       2.6104      0.00000
    138       2.7689      0.00000
    139       2.8082      0.00000
    140       2.8159      0.00000
    141       2.8915      0.00000
    142       2.9278      0.00000
    143       3.0315      0.00000
    144       3.0527      0.00000
    145       3.1190      0.00000
    146       3.3178      0.00000
    147       3.3370      0.00000
    148       3.3953      0.00000
    149       3.4937      0.00000
    150       3.5984      0.00000
    151       3.6652      0.00000
    152       3.6691      0.00000
    153       3.6858      0.00000
    154       3.9142      0.00000
    155       3.9861      0.00000
    156       4.0278      0.00000
    157       4.0913      0.00000
    158       4.2623      0.00000
    159       4.2670      0.00000
    160       4.2749      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1400      1.00000
      2     -22.0481      1.00000
      3     -21.8860      1.00000
      4     -21.3353      1.00000
      5     -20.9764      1.00000
      6     -20.9473      1.00000
      7     -20.4277      1.00000
      8     -20.3962      1.00000
      9     -20.2161      1.00000
     10     -20.2144      1.00000
     11     -19.8878      1.00000
     12     -19.8243      1.00000
     13     -18.8177      1.00000
     14     -18.7473      1.00000
     15     -18.2660      1.00000
     16     -18.2521      1.00000
     17     -18.0807      1.00000
     18     -18.0742      1.00000
     19     -17.7462      1.00000
     20     -17.7308      1.00000
     21     -17.1954      1.00000
     22     -17.1724      1.00000
     23     -17.0898      1.00000
     24     -17.0686      1.00000
     25     -16.0540      1.00000
     26     -15.8088      1.00000
     27     -15.7993      1.00000
     28     -15.7784      1.00000
     29     -15.1603      1.00000
     30     -14.4861      1.00000
     31     -14.4650      1.00000
     32     -14.2054      1.00000
     33     -13.9172      1.00000
     34     -13.8874      1.00000
     35     -13.7603      1.00000
     36     -13.7397      1.00000
     37     -13.5370      1.00000
     38     -13.5114      1.00000
     39     -13.3015      1.00000
     40     -12.5768      1.00000
     41     -12.1021      1.00000
     42     -12.0782      1.00000
     43     -11.9990      1.00000
     44     -11.9515      1.00000
     45     -11.6065      1.00000
     46     -11.5991      1.00000
     47     -11.0850      1.00000
     48     -11.0624      1.00000
     49     -10.7324      1.00000
     50     -10.6654      1.00000
     51     -10.5536      1.00000
     52     -10.1408      1.00000
     53     -10.1361      1.00000
     54     -10.1008      1.00000
     55      -9.9668      1.00000
     56      -9.9264      1.00000
     57      -9.9219      1.00000
     58      -9.7516      1.00000
     59      -9.7304      1.00000
     60      -9.6986      1.00000
     61      -9.6963      1.00000
     62      -9.3990      1.00000
     63      -9.3901      1.00000
     64      -9.0674      1.00000
     65      -8.9827      1.00000
     66      -8.9825      1.00000
     67      -8.9070      1.00000
     68      -8.8124      1.00000
     69      -8.6503      1.00000
     70      -8.6353      1.00000
     71      -8.5448      1.00000
     72      -8.5028      1.00000
     73      -8.4839      1.00000
     74      -8.3959      1.00000
     75      -8.3839      1.00000
     76      -8.2092      1.00000
     77      -8.1004      1.00000
     78      -8.0071      1.00000
     79      -7.9012      1.00000
     80      -7.8435      1.00000
     81      -7.6213      1.00000
     82      -7.5340      1.00000
     83      -7.4582      1.00000
     84      -7.2627      1.00000
     85      -6.9441      1.00000
     86      -6.8708      1.00000
     87      -6.8121      1.00000
     88      -6.4787      1.00000
     89      -6.4701      1.00000
     90      -6.4114      1.00000
     91      -6.3603      1.00000
     92      -6.1846      1.00000
     93      -5.8587      1.00000
     94      -5.7388      1.00000
     95      -5.7121      1.00000
     96      -5.5216      1.00000
     97      -5.3296      1.00000
     98      -5.1734      1.00000
     99      -5.1688      1.00000
    100      -5.1350      1.00000
    101      -4.6966      1.00000
    102      -4.3506      1.00000
    103      -4.2778      1.00000
    104      -4.0272      1.00000
    105      -3.8212      1.00000
    106      -3.2349      1.00000
    107      -2.4079      0.00000
    108      -1.3467      0.00000
    109      -1.2457      0.00000
    110      -1.1560      0.00000
    111      -1.1108      0.00000
    112      -0.5860      0.00000
    113      -0.5241      0.00000
    114      -0.4362      0.00000
    115      -0.2771      0.00000
    116      -0.0746      0.00000
    117      -0.0143      0.00000
    118       0.0575      0.00000
    119       0.5817      0.00000
    120       0.7077      0.00000
    121       0.8175      0.00000
    122       0.9514      0.00000
    123       1.1921      0.00000
    124       1.5283      0.00000
    125       1.6299      0.00000
    126       1.8841      0.00000
    127       2.0222      0.00000
    128       2.0611      0.00000
    129       2.1088      0.00000
    130       2.1377      0.00000
    131       2.2367      0.00000
    132       2.2846      0.00000
    133       2.3397      0.00000
    134       2.4362      0.00000
    135       2.6112      0.00000
    136       2.7131      0.00000
    137       2.8459      0.00000
    138       2.9120      0.00000
    139       2.9433      0.00000
    140       3.0369      0.00000
    141       3.0681      0.00000
    142       3.1405      0.00000
    143       3.1733      0.00000
    144       3.2388      0.00000
    145       3.3068      0.00000
    146       3.3230      0.00000
    147       3.3599      0.00000
    148       3.3792      0.00000
    149       3.4343      0.00000
    150       3.4581      0.00000
    151       3.5694      0.00000
    152       3.6165      0.00000
    153       3.6719      0.00000
    154       3.7103      0.00000
    155       3.8677      0.00000
    156       3.9193      0.00000
    157       3.9442      0.00000
    158       3.9715      0.00000
    159       4.1777      0.00000
    160       4.2053      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2131      1.00000
      2     -22.0082      1.00000
      3     -21.6461      1.00000
      4     -21.6152      1.00000
      5     -20.9096      1.00000
      6     -20.8695      1.00000
      7     -20.5390      1.00000
      8     -20.5069      1.00000
      9     -20.5002      1.00000
     10     -19.9627      1.00000
     11     -19.4411      1.00000
     12     -19.4192      1.00000
     13     -19.2405      1.00000
     14     -19.2331      1.00000
     15     -18.3764      1.00000
     16     -18.3418      1.00000
     17     -17.8594      1.00000
     18     -17.8433      1.00000
     19     -17.6917      1.00000
     20     -17.6563      1.00000
     21     -17.3731      1.00000
     22     -17.3587      1.00000
     23     -17.2683      1.00000
     24     -16.4140      1.00000
     25     -16.3909      1.00000
     26     -15.9051      1.00000
     27     -15.3441      1.00000
     28     -15.3393      1.00000
     29     -15.0317      1.00000
     30     -15.0222      1.00000
     31     -14.7774      1.00000
     32     -14.7755      1.00000
     33     -14.2383      1.00000
     34     -14.1880      1.00000
     35     -13.3884      1.00000
     36     -13.3346      1.00000
     37     -13.1120      1.00000
     38     -13.1042      1.00000
     39     -12.9182      1.00000
     40     -12.9125      1.00000
     41     -12.5464      1.00000
     42     -12.5390      1.00000
     43     -12.1346      1.00000
     44     -11.5142      1.00000
     45     -11.4703      1.00000
     46     -11.2453      1.00000
     47     -11.2141      1.00000
     48     -11.0873      1.00000
     49     -10.7029      1.00000
     50     -10.5967      1.00000
     51     -10.5078      1.00000
     52     -10.2526      1.00000
     53     -10.2485      1.00000
     54     -10.1210      1.00000
     55     -10.0553      1.00000
     56     -10.0404      1.00000
     57      -9.7841      1.00000
     58      -9.6882      1.00000
     59      -9.6742      1.00000
     60      -9.6390      1.00000
     61      -9.6295      1.00000
     62      -9.5862      1.00000
     63      -9.2966      1.00000
     64      -9.2849      1.00000
     65      -9.2542      1.00000
     66      -9.0610      1.00000
     67      -8.8961      1.00000
     68      -8.8851      1.00000
     69      -8.7190      1.00000
     70      -8.5784      1.00000
     71      -8.5274      1.00000
     72      -8.3505      1.00000
     73      -8.3055      1.00000
     74      -8.2445      1.00000
     75      -8.2391      1.00000
     76      -8.1960      1.00000
     77      -8.1837      1.00000
     78      -8.1711      1.00000
     79      -8.1033      1.00000
     80      -7.6892      1.00000
     81      -7.4241      1.00000
     82      -7.3447      1.00000
     83      -7.2612      1.00000
     84      -7.1705      1.00000
     85      -7.1104      1.00000
     86      -7.0067      1.00000
     87      -6.9044      1.00000
     88      -6.8499      1.00000
     89      -6.5438      1.00000
     90      -6.5004      1.00000
     91      -6.2073      1.00000
     92      -6.2035      1.00000
     93      -5.8954      1.00000
     94      -5.6731      1.00000
     95      -5.6067      1.00000
     96      -5.5809      1.00000
     97      -5.2545      1.00000
     98      -5.2319      1.00000
     99      -5.1660      1.00000
    100      -5.1358      1.00000
    101      -4.6001      1.00000
    102      -4.2483      1.00000
    103      -4.0436      1.00000
    104      -3.8860      1.00000
    105      -3.8369      1.00000
    106      -3.7995      1.00000
    107      -1.8101      0.00000
    108      -1.7836      0.00000
    109      -1.2267      0.00000
    110      -1.1774      0.00000
    111      -0.9763      0.00000
    112      -0.7368      0.00000
    113      -0.6524      0.00000
    114      -0.5963      0.00000
    115      -0.5518      0.00000
    116      -0.1583      0.00000
    117       0.1736      0.00000
    118       0.2856      0.00000
    119       0.7140      0.00000
    120       0.9565      0.00000
    121       1.1688      0.00000
    122       1.2751      0.00000
    123       1.3547      0.00000
    124       1.5232      0.00000
    125       1.6152      0.00000
    126       1.6356      0.00000
    127       1.6931      0.00000
    128       1.7829      0.00000
    129       1.8768      0.00000
    130       2.0509      0.00000
    131       2.1716      0.00000
    132       2.2926      0.00000
    133       2.4204      0.00000
    134       2.4212      0.00000
    135       2.5748      0.00000
    136       2.6384      0.00000
    137       2.6963      0.00000
    138       2.7141      0.00000
    139       2.7907      0.00000
    140       2.9208      0.00000
    141       3.0693      0.00000
    142       3.0722      0.00000
    143       3.2056      0.00000
    144       3.2917      0.00000
    145       3.4042      0.00000
    146       3.4236      0.00000
    147       3.4673      0.00000
    148       3.5574      0.00000
    149       3.5978      0.00000
    150       3.6407      0.00000
    151       3.6756      0.00000
    152       3.6992      0.00000
    153       3.7715      0.00000
    154       3.7744      0.00000
    155       3.8410      0.00000
    156       3.9154      0.00000
    157       3.9173      0.00000
    158       3.9837      0.00000
    159       4.2055      0.00000
    160       4.2417      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     -21.5351      1.00000
      3     -21.4068      1.00000
      4     -21.4061      1.00000
      5     -21.3748      1.00000
      6     -21.3659      1.00000
      7     -21.3585      1.00000
      8     -19.6452      1.00000
      9     -19.5722      1.00000
     10     -19.5651      1.00000
     11     -19.5588      1.00000
     12     -19.5406      1.00000
     13     -19.5379      1.00000
     14     -18.7278      1.00000
     15     -18.6798      1.00000
     16     -18.6722      1.00000
     17     -18.6589      1.00000
     18     -18.6438      1.00000
     19     -18.6422      1.00000
     20     -16.5860      1.00000
     21     -16.5271      1.00000
     22     -16.5248      1.00000
     23     -16.5122      1.00000
     24     -16.4879      1.00000
     25     -16.4860      1.00000
     26     -15.5586      1.00000
     27     -15.5266      1.00000
     28     -15.5259      1.00000
     29     -15.5001      1.00000
     30     -15.4950      1.00000
     31     -15.4896      1.00000
     32     -14.2065      1.00000
     33     -14.1807      1.00000
     34     -14.1681      1.00000
     35     -14.1659      1.00000
     36     -14.1606      1.00000
     37     -14.1495      1.00000
     38     -11.8833      1.00000
     39     -11.8092      1.00000
     40     -11.7933      1.00000
     41     -11.7931      1.00000
     42     -11.7898      1.00000
     43     -11.7841      1.00000
     44     -11.7052      1.00000
     45     -11.6990      1.00000
     46     -11.6732      1.00000
     47     -11.6586      1.00000
     48     -11.6584      1.00000
     49     -11.6514      1.00000
     50     -10.6694      1.00000
     51     -10.3295      1.00000
     52     -10.3217      1.00000
     53     -10.3063      1.00000
     54     -10.3049      1.00000
     55     -10.2920      1.00000
     56     -10.2790      1.00000
     57      -9.9226      1.00000
     58      -9.3723      1.00000
     59      -9.3594      1.00000
     60      -9.3004      1.00000
     61      -9.2923      1.00000
     62      -9.2854      1.00000
     63      -9.0924      1.00000
     64      -9.0554      1.00000
     65      -9.0505      1.00000
     66      -9.0277      1.00000
     67      -9.0084      1.00000
     68      -9.0031      1.00000
     69      -9.0019      1.00000
     70      -8.9961      1.00000
     71      -8.9934      1.00000
     72      -8.9739      1.00000
     73      -8.9662      1.00000
     74      -8.9560      1.00000
     75      -8.4877      1.00000
     76      -7.5175      1.00000
     77      -7.4119      1.00000
     78      -7.4118      1.00000
     79      -7.3973      1.00000
     80      -7.3850      1.00000
     81      -7.3658      1.00000
     82      -7.3429      1.00000
     83      -7.3128      1.00000
     84      -7.2668      1.00000
     85      -7.2068      1.00000
     86      -7.1806      1.00000
     87      -7.1804      1.00000
     88      -7.0811      1.00000
     89      -6.5069      1.00000
     90      -6.4610      1.00000
     91      -6.3551      1.00000
     92      -6.2949      1.00000
     93      -6.2889      1.00000
     94      -6.2876      1.00000
     95      -5.8990      1.00000
     96      -5.8869      1.00000
     97      -5.0407      1.00000
     98      -4.9359      1.00000
     99      -4.5365      1.00000
    100      -4.3423      1.00000
    101      -4.3196      1.00000
    102      -4.3184      1.00000
    103      -4.1184      1.00000
    104      -3.9130      1.00000
    105      -3.9027      1.00000
    106      -3.8249      1.00000
    107      -1.6832      0.00000
    108      -1.6700      0.00000
    109      -1.5387      0.00000
    110      -1.5369      0.00000
    111      -1.5256      0.00000
    112      -1.5114      0.00000
    113      -0.5900      0.00000
    114       0.1312      0.00000
    115       0.2045      0.00000
    116       0.3224      0.00000
    117       0.3239      0.00000
    118       0.3315      0.00000
    119       0.4915      0.00000
    120       0.6065      0.00000
    121       1.2599      0.00000
    122       1.2876      0.00000
    123       1.5410      0.00000
    124       1.7655      0.00000
    125       1.8141      0.00000
    126       1.8177      0.00000
    127       1.8231      0.00000
    128       1.9446      0.00000
    129       1.9900      0.00000
    130       2.0286      0.00000
    131       2.0425      0.00000
    132       2.0476      0.00000
    133       2.0547      0.00000
    134       2.0635      0.00000
    135       2.3183      0.00000
    136       2.3250      0.00000
    137       2.6452      0.00000
    138       2.6532      0.00000
    139       2.6852      0.00000
    140       2.7471      0.00000
    141       2.8858      0.00000
    142       3.0053      0.00000
    143       3.0264      0.00000
    144       3.0518      0.00000
    145       3.0548      0.00000
    146       3.0561      0.00000
    147       3.0973      0.00000
    148       3.2511      0.00000
    149       3.4446      0.00000
    150       3.5594      0.00000
    151       3.7864      0.00000
    152       3.9531      0.00000
    153       3.9752      0.00000
    154       3.9804      0.00000
    155       3.9839      0.00000
    156       4.0115      0.00000
    157       4.1921      0.00000
    158       4.2718      0.00000
    159       4.2921      0.00000
    160       4.2935      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     -21.5702      1.00000
      4     -21.5378      1.00000
      5     -21.2073      1.00000
      6     -21.1629      1.00000
      7     -20.9871      1.00000
      8     -20.1013      1.00000
      9     -20.0577      1.00000
     10     -19.5461      1.00000
     11     -19.5217      1.00000
     12     -19.3492      1.00000
     13     -19.0245      1.00000
     14     -18.9898      1.00000
     15     -18.9817      1.00000
     16     -18.9695      1.00000
     17     -18.2976      1.00000
     18     -18.2785      1.00000
     19     -17.9524      1.00000
     20     -17.0098      1.00000
     21     -16.9603      1.00000
     22     -16.8792      1.00000
     23     -16.8696      1.00000
     24     -16.4055      1.00000
     25     -16.3909      1.00000
     26     -15.5520      1.00000
     27     -15.5362      1.00000
     28     -15.1980      1.00000
     29     -15.1697      1.00000
     30     -15.1151      1.00000
     31     -15.0282      1.00000
     32     -15.0036      1.00000
     33     -14.6367      1.00000
     34     -14.6250      1.00000
     35     -13.6679      1.00000
     36     -13.6527      1.00000
     37     -13.1704      1.00000
     38     -12.5518      1.00000
     39     -12.5190      1.00000
     40     -12.3914      1.00000
     41     -12.3784      1.00000
     42     -12.0581      1.00000
     43     -12.0355      1.00000
     44     -11.6594      1.00000
     45     -11.6178      1.00000
     46     -11.1813      1.00000
     47     -11.1582      1.00000
     48     -10.9651      1.00000
     49     -10.9415      1.00000
     50     -10.8737      1.00000
     51     -10.8380      1.00000
     52     -10.5994      1.00000
     53     -10.0937      1.00000
     54     -10.0893      1.00000
     55     -10.0457      1.00000
     56      -9.9700      1.00000
     57      -9.6544      1.00000
     58      -9.6302      1.00000
     59      -9.5921      1.00000
     60      -9.5301      1.00000
     61      -9.5118      1.00000
     62      -9.4799      1.00000
     63      -9.2640      1.00000
     64      -9.2422      1.00000
     65      -9.2214      1.00000
     66      -9.1673      1.00000
     67      -9.0687      1.00000
     68      -9.0478      1.00000
     69      -9.0420      1.00000
     70      -8.8825      1.00000
     71      -8.8074      1.00000
     72      -8.5757      1.00000
     73      -8.5238      1.00000
     74      -8.4549      1.00000
     75      -8.0367      1.00000
     76      -7.8102      1.00000
     77      -7.8071      1.00000
     78      -7.7934      1.00000
     79      -7.7014      1.00000
     80      -7.6922      1.00000
     81      -7.3689      1.00000
     82      -7.2742      1.00000
     83      -7.2661      1.00000
     84      -7.2180      1.00000
     85      -7.1733      1.00000
     86      -7.0098      1.00000
     87      -6.9489      1.00000
     88      -6.7456      1.00000
     89      -6.6724      1.00000
     90      -6.5954      1.00000
     91      -6.5602      1.00000
     92      -6.0520      1.00000
     93      -6.0469      1.00000
     94      -6.0224      1.00000
     95      -5.9605      1.00000
     96      -5.7370      1.00000
     97      -5.1512      1.00000
     98      -4.9886      1.00000
     99      -4.7184      1.00000
    100      -4.6122      1.00000
    101      -4.4400      1.00000
    102      -4.3743      1.00000
    103      -4.1224      1.00000
    104      -3.8692      1.00000
    105      -3.8263      1.00000
    106      -3.7915      1.00000
    107      -1.7872      0.00000
    108      -1.7406      0.00000
    109      -1.3964      0.00000
    110      -1.3480      0.00000
    111      -1.2671      0.00000
    112      -1.2282      0.00000
    113      -0.7480      0.00000
    114      -0.3826      0.00000
    115      -0.2226      0.00000
    116      -0.0226      0.00000
    117       0.5950      0.00000
    118       0.7386      0.00000
    119       0.7629      0.00000
    120       1.0484      0.00000
    121       1.1391      0.00000
    122       1.2496      0.00000
    123       1.2783      0.00000
    124       1.4230      0.00000
    125       1.4892      0.00000
    126       1.6007      0.00000
    127       1.7514      0.00000
    128       1.8399      0.00000
    129       1.8921      0.00000
    130       1.9600      0.00000
    131       2.0996      0.00000
    132       2.2537      0.00000
    133       2.2604      0.00000
    134       2.3204      0.00000
    135       2.5013      0.00000
    136       2.6032      0.00000
    137       2.6493      0.00000
    138       2.7833      0.00000
    139       2.8026      0.00000
    140       2.8276      0.00000
    141       2.8690      0.00000
    142       2.8867      0.00000
    143       2.9468      0.00000
    144       3.1144      0.00000
    145       3.2978      0.00000
    146       3.3145      0.00000
    147       3.3539      0.00000
    148       3.3783      0.00000
    149       3.4809      0.00000
    150       3.5847      0.00000
    151       3.6311      0.00000
    152       3.6863      0.00000
    153       3.7208      0.00000
    154       3.9276      0.00000
    155       3.9420      0.00000
    156       3.9942      0.00000
    157       4.0878      0.00000
    158       4.2170      0.00000
    159       4.2689      0.00000
    160       4.3062      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2135      1.00000
      2     -22.0076      1.00000
      3     -21.6488      1.00000
      4     -21.6121      1.00000
      5     -20.9125      1.00000
      6     -20.8667      1.00000
      7     -20.5453      1.00000
      8     -20.5064      1.00000
      9     -20.4960      1.00000
     10     -19.9636      1.00000
     11     -19.4423      1.00000
     12     -19.4155      1.00000
     13     -19.2418      1.00000
     14     -19.2275      1.00000
     15     -18.3841      1.00000
     16     -18.3404      1.00000
     17     -17.8603      1.00000
     18     -17.8395      1.00000
     19     -17.6981      1.00000
     20     -17.6559      1.00000
     21     -17.3725      1.00000
     22     -17.3567      1.00000
     23     -17.2750      1.00000
     24     -16.4019      1.00000
     25     -16.3872      1.00000
     26     -15.8968      1.00000
     27     -15.3528      1.00000
     28     -15.3376      1.00000
     29     -15.0351      1.00000
     30     -15.0214      1.00000
     31     -14.8003      1.00000
     32     -14.7758      1.00000
     33     -14.2226      1.00000
     34     -14.1908      1.00000
     35     -13.3717      1.00000
     36     -13.3384      1.00000
     37     -13.1206      1.00000
     38     -13.1033      1.00000
     39     -12.9164      1.00000
     40     -12.9031      1.00000
     41     -12.5576      1.00000
     42     -12.5398      1.00000
     43     -12.1341      1.00000
     44     -11.5220      1.00000
     45     -11.4747      1.00000
     46     -11.2540      1.00000
     47     -11.2206      1.00000
     48     -11.0806      1.00000
     49     -10.6572      1.00000
     50     -10.5902      1.00000
     51     -10.5215      1.00000
     52     -10.2585      1.00000
     53     -10.2500      1.00000
     54     -10.1224      1.00000
     55     -10.0500      1.00000
     56     -10.0424      1.00000
     57      -9.7685      1.00000
     58      -9.7059      1.00000
     59      -9.6807      1.00000
     60      -9.6318      1.00000
     61      -9.6277      1.00000
     62      -9.5879      1.00000
     63      -9.2953      1.00000
     64      -9.2863      1.00000
     65      -9.2542      1.00000
     66      -9.0841      1.00000
     67      -8.8983      1.00000
     68      -8.8843      1.00000
     69      -8.7249      1.00000
     70      -8.5869      1.00000
     71      -8.5151      1.00000
     72      -8.3311      1.00000
     73      -8.3027      1.00000
     74      -8.2654      1.00000
     75      -8.2340      1.00000
     76      -8.1966      1.00000
     77      -8.1878      1.00000
     78      -8.1721      1.00000
     79      -8.0963      1.00000
     80      -7.6883      1.00000
     81      -7.3613      1.00000
     82      -7.3121      1.00000
     83      -7.2672      1.00000
     84      -7.1885      1.00000
     85      -7.1271      1.00000
     86      -7.0773      1.00000
     87      -6.9074      1.00000
     88      -6.8833      1.00000
     89      -6.5510      1.00000
     90      -6.4944      1.00000
     91      -6.2114      1.00000
     92      -6.0685      1.00000
     93      -5.9413      1.00000
     94      -5.7136      1.00000
     95      -5.6334      1.00000
     96      -5.4524      1.00000
     97      -5.3050      1.00000
     98      -5.2350      1.00000
     99      -5.1532      1.00000
    100      -5.1525      1.00000
    101      -4.5202      1.00000
    102      -4.4713      1.00000
    103      -4.1406      1.00000
    104      -3.8292      1.00000
    105      -3.7582      1.00000
    106      -3.6819      1.00000
    107      -1.8731      0.00000
    108      -1.8261      0.00000
    109      -1.2789      0.00000
    110      -1.0381      0.00000
    111      -1.0142      0.00000
    112      -0.7149      0.00000
    113      -0.6421      0.00000
    114      -0.5909      0.00000
    115      -0.5484      0.00000
    116      -0.2077      0.00000
    117       0.2495      0.00000
    118       0.2760      0.00000
    119       0.7683      0.00000
    120       0.9497      0.00000
    121       1.1344      0.00000
    122       1.2303      0.00000
    123       1.3227      0.00000
    124       1.4169      0.00000
    125       1.6111      0.00000
    126       1.6333      0.00000
    127       1.7233      0.00000
    128       1.8222      0.00000
    129       1.9359      0.00000
    130       2.0351      0.00000
    131       2.0774      0.00000
    132       2.2951      0.00000
    133       2.3982      0.00000
    134       2.4512      0.00000
    135       2.5553      0.00000
    136       2.6463      0.00000
    137       2.7230      0.00000
    138       2.7940      0.00000
    139       2.8471      0.00000
    140       2.9006      0.00000
    141       3.0591      0.00000
    142       3.1044      0.00000
    143       3.2081      0.00000
    144       3.2538      0.00000
    145       3.3976      0.00000
    146       3.4317      0.00000
    147       3.5070      0.00000
    148       3.5934      0.00000
    149       3.6166      0.00000
    150       3.6326      0.00000
    151       3.6547      0.00000
    152       3.7440      0.00000
    153       3.7629      0.00000
    154       3.7767      0.00000
    155       3.8055      0.00000
    156       3.9032      0.00000
    157       3.9952      0.00000
    158       4.0193      0.00000
    159       4.1956      0.00000
    160       4.2287      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2473      1.00000
      2     -21.8931      1.00000
      3     -21.8229      1.00000
      4     -21.3112      1.00000
      5     -21.2813      1.00000
      6     -20.7701      1.00000
      7     -20.7046      1.00000
      8     -20.5560      1.00000
      9     -20.0086      1.00000
     10     -20.0014      1.00000
     11     -19.6478      1.00000
     12     -19.6237      1.00000
     13     -18.9293      1.00000
     14     -18.9212      1.00000
     15     -18.5706      1.00000
     16     -18.5570      1.00000
     17     -18.3940      1.00000
     18     -17.6149      1.00000
     19     -17.5592      1.00000
     20     -17.5539      1.00000
     21     -17.5124      1.00000
     22     -17.0561      1.00000
     23     -17.0388      1.00000
     24     -16.8923      1.00000
     25     -15.9305      1.00000
     26     -15.8673      1.00000
     27     -15.5167      1.00000
     28     -15.5157      1.00000
     29     -15.2288      1.00000
     30     -14.7949      1.00000
     31     -14.7679      1.00000
     32     -14.5159      1.00000
     33     -14.4718      1.00000
     34     -14.1025      1.00000
     35     -14.0911      1.00000
     36     -13.0774      1.00000
     37     -13.0330      1.00000
     38     -12.9673      1.00000
     39     -12.9555      1.00000
     40     -12.6458      1.00000
     41     -12.6395      1.00000
     42     -12.2744      1.00000
     43     -12.2430      1.00000
     44     -11.5877      1.00000
     45     -11.5616      1.00000
     46     -11.5071      1.00000
     47     -10.9041      1.00000
     48     -10.8516      1.00000
     49     -10.6190      1.00000
     50     -10.5600      1.00000
     51     -10.4844      1.00000
     52     -10.4344      1.00000
     53     -10.4244      1.00000
     54     -10.3724      1.00000
     55     -10.2944      1.00000
     56     -10.0639      1.00000
     57      -9.8331      1.00000
     58      -9.5489      1.00000
     59      -9.4890      1.00000
     60      -9.4682      1.00000
     61      -9.3473      1.00000
     62      -9.3316      1.00000
     63      -9.3113      1.00000
     64      -9.3091      1.00000
     65      -9.2141      1.00000
     66      -9.1124      1.00000
     67      -9.0821      1.00000
     68      -9.0508      1.00000
     69      -8.8459      1.00000
     70      -8.7942      1.00000
     71      -8.7745      1.00000
     72      -8.5273      1.00000
     73      -8.4739      1.00000
     74      -8.2184      1.00000
     75      -8.1106      1.00000
     76      -8.1006      1.00000
     77      -7.8074      1.00000
     78      -7.7841      1.00000
     79      -7.7824      1.00000
     80      -7.6731      1.00000
     81      -7.6331      1.00000
     82      -7.6315      1.00000
     83      -7.4040      1.00000
     84      -7.3248      1.00000
     85      -7.2071      1.00000
     86      -6.8411      1.00000
     87      -6.8307      1.00000
     88      -6.6593      1.00000
     89      -6.5391      1.00000
     90      -6.3457      1.00000
     91      -6.3074      1.00000
     92      -6.1855      1.00000
     93      -6.1486      1.00000
     94      -5.9782      1.00000
     95      -5.5721      1.00000
     96      -5.4265      1.00000
     97      -5.2597      1.00000
     98      -5.2454      1.00000
     99      -5.1497      1.00000
    100      -4.6961      1.00000
    101      -4.6664      1.00000
    102      -4.3512      1.00000
    103      -4.3126      1.00000
    104      -3.9641      1.00000
    105      -3.8214      1.00000
    106      -3.3923      1.00000
    107      -2.2221      0.00000
    108      -1.3784      0.00000
    109      -1.2885      0.00000
    110      -1.1755      0.00000
    111      -1.0801      0.00000
    112      -0.8960      0.00000
    113      -0.7705      0.00000
    114      -0.7597      0.00000
    115      -0.2241      0.00000
    116       0.1106      0.00000
    117       0.2614      0.00000
    118       0.3433      0.00000
    119       0.7427      0.00000
    120       0.9032      0.00000
    121       0.9710      0.00000
    122       1.0991      0.00000
    123       1.2148      0.00000
    124       1.5363      0.00000
    125       1.5888      0.00000
    126       1.7226      0.00000
    127       1.8369      0.00000
    128       1.8607      0.00000
    129       1.9537      0.00000
    130       2.0282      0.00000
    131       2.1503      0.00000
    132       2.2942      0.00000
    133       2.4225      0.00000
    134       2.4779      0.00000
    135       2.4791      0.00000
    136       2.6640      0.00000
    137       2.6869      0.00000
    138       2.7471      0.00000
    139       2.7607      0.00000
    140       2.9097      0.00000
    141       3.0372      0.00000
    142       3.1004      0.00000
    143       3.1805      0.00000
    144       3.2261      0.00000
    145       3.2638      0.00000
    146       3.2848      0.00000
    147       3.3797      0.00000
    148       3.4966      0.00000
    149       3.5518      0.00000
    150       3.7116      0.00000
    151       3.7640      0.00000
    152       3.7689      0.00000
    153       3.8357      0.00000
    154       3.9015      0.00000
    155       3.9637      0.00000
    156       3.9884      0.00000
    157       4.0057      0.00000
    158       4.0458      0.00000
    159       4.0502      0.00000
    160       4.0947      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1409      1.00000
      2     -22.0468      1.00000
      3     -21.8864      1.00000
      4     -21.3344      1.00000
      5     -20.9813      1.00000
      6     -20.9433      1.00000
      7     -20.4329      1.00000
      8     -20.3909      1.00000
      9     -20.2265      1.00000
     10     -20.2053      1.00000
     11     -19.8888      1.00000
     12     -19.8218      1.00000
     13     -18.8147      1.00000
     14     -18.7443      1.00000
     15     -18.2898      1.00000
     16     -18.2370      1.00000
     17     -18.0861      1.00000
     18     -18.0663      1.00000
     19     -17.7617      1.00000
     20     -17.7197      1.00000
     21     -17.1892      1.00000
     22     -17.1708      1.00000
     23     -17.1004      1.00000
     24     -17.0645      1.00000
     25     -16.0381      1.00000
     26     -15.8230      1.00000
     27     -15.8001      1.00000
     28     -15.7654      1.00000
     29     -15.1745      1.00000
     30     -14.4915      1.00000
     31     -14.4592      1.00000
     32     -14.2188      1.00000
     33     -13.8959      1.00000
     34     -13.8909      1.00000
     35     -13.7569      1.00000
     36     -13.7370      1.00000
     37     -13.5522      1.00000
     38     -13.5041      1.00000
     39     -13.3000      1.00000
     40     -12.5646      1.00000
     41     -12.1256      1.00000
     42     -12.0672      1.00000
     43     -12.0102      1.00000
     44     -11.9522      1.00000
     45     -11.6117      1.00000
     46     -11.5892      1.00000
     47     -11.0857      1.00000
     48     -11.0533      1.00000
     49     -10.7523      1.00000
     50     -10.6650      1.00000
     51     -10.5219      1.00000
     52     -10.1494      1.00000
     53     -10.1392      1.00000
     54     -10.0964      1.00000
     55      -9.9538      1.00000
     56      -9.9479      1.00000
     57      -9.9180      1.00000
     58      -9.7385      1.00000
     59      -9.7323      1.00000
     60      -9.7020      1.00000
     61      -9.6921      1.00000
     62      -9.4274      1.00000
     63      -9.3634      1.00000
     64      -9.0840      1.00000
     65      -9.0076      1.00000
     66      -8.9759      1.00000
     67      -8.8892      1.00000
     68      -8.8115      1.00000
     69      -8.6583      1.00000
     70      -8.6361      1.00000
     71      -8.5762      1.00000
     72      -8.4795      1.00000
     73      -8.4682      1.00000
     74      -8.3991      1.00000
     75      -8.3956      1.00000
     76      -8.1839      1.00000
     77      -8.1122      1.00000
     78      -7.9776      1.00000
     79      -7.9133      1.00000
     80      -7.8481      1.00000
     81      -7.6157      1.00000
     82      -7.5312      1.00000
     83      -7.4707      1.00000
     84      -7.2668      1.00000
     85      -6.9357      1.00000
     86      -6.8599      1.00000
     87      -6.8132      1.00000
     88      -6.5722      1.00000
     89      -6.4681      1.00000
     90      -6.4223      1.00000
     91      -6.3576      1.00000
     92      -6.0503      1.00000
     93      -5.8773      1.00000
     94      -5.7536      1.00000
     95      -5.7224      1.00000
     96      -5.4758      1.00000
     97      -5.3459      1.00000
     98      -5.1810      1.00000
     99      -5.1569      1.00000
    100      -5.1558      1.00000
    101      -4.7074      1.00000
    102      -4.4421      1.00000
    103      -4.2535      1.00000
    104      -3.9950      1.00000
    105      -3.8203      1.00000
    106      -3.1586      1.00000
    107      -2.4652      0.00000
    108      -1.3802      0.00000
    109      -1.2432      0.00000
    110      -1.1485      0.00000
    111      -1.1168      0.00000
    112      -0.5670      0.00000
    113      -0.4373      0.00000
    114      -0.4328      0.00000
    115      -0.3126      0.00000
    116      -0.1931      0.00000
    117       0.0592      0.00000
    118       0.1134      0.00000
    119       0.5378      0.00000
    120       0.6816      0.00000
    121       0.8792      0.00000
    122       0.9770      0.00000
    123       1.1188      0.00000
    124       1.5033      0.00000
    125       1.6770      0.00000
    126       1.8364      0.00000
    127       1.8938      0.00000
    128       2.1016      0.00000
    129       2.1166      0.00000
    130       2.1775      0.00000
    131       2.2175      0.00000
    132       2.3375      0.00000
    133       2.3383      0.00000
    134       2.4844      0.00000
    135       2.5661      0.00000
    136       2.6859      0.00000
    137       2.8879      0.00000
    138       2.9358      0.00000
    139       2.9776      0.00000
    140       3.0175      0.00000
    141       3.0631      0.00000
    142       3.1530      0.00000
    143       3.1660      0.00000
    144       3.2643      0.00000
    145       3.3036      0.00000
    146       3.3414      0.00000
    147       3.3520      0.00000
    148       3.3871      0.00000
    149       3.4238      0.00000
    150       3.5106      0.00000
    151       3.5635      0.00000
    152       3.6331      0.00000
    153       3.6681      0.00000
    154       3.7091      0.00000
    155       3.7258      0.00000
    156       3.9318      0.00000
    157       3.9534      0.00000
    158       4.0747      0.00000
    159       4.1153      0.00000
    160       4.2271      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2472      1.00000
      2     -21.8945      1.00000
      3     -21.8216      1.00000
      4     -21.3158      1.00000
      5     -21.2774      1.00000
      6     -20.7711      1.00000
      7     -20.7027      1.00000
      8     -20.5544      1.00000
      9     -20.0225      1.00000
     10     -19.9906      1.00000
     11     -19.6502      1.00000
     12     -19.6195      1.00000
     13     -18.9432      1.00000
     14     -18.9090      1.00000
     15     -18.5841      1.00000
     16     -18.5470      1.00000
     17     -18.3924      1.00000
     18     -17.6019      1.00000
     19     -17.5711      1.00000
     20     -17.5419      1.00000
     21     -17.5092      1.00000
     22     -17.0747      1.00000
     23     -17.0282      1.00000
     24     -16.9008      1.00000
     25     -15.9461      1.00000
     26     -15.8513      1.00000
     27     -15.5334      1.00000
     28     -15.5071      1.00000
     29     -15.2100      1.00000
     30     -14.8140      1.00000
     31     -14.7621      1.00000
     32     -14.5102      1.00000
     33     -14.4688      1.00000
     34     -14.0968      1.00000
     35     -14.0938      1.00000
     36     -13.1052      1.00000
     37     -13.0300      1.00000
     38     -12.9575      1.00000
     39     -12.9506      1.00000
     40     -12.6564      1.00000
     41     -12.6284      1.00000
     42     -12.2744      1.00000
     43     -12.2475      1.00000
     44     -11.5738      1.00000
     45     -11.5546      1.00000
     46     -11.5012      1.00000
     47     -10.8782      1.00000
     48     -10.8690      1.00000
     49     -10.6789      1.00000
     50     -10.5264      1.00000
     51     -10.5201      1.00000
     52     -10.4343      1.00000
     53     -10.4166      1.00000
     54     -10.3711      1.00000
     55     -10.2888      1.00000
     56     -10.0593      1.00000
     57      -9.8321      1.00000
     58      -9.5589      1.00000
     59      -9.4857      1.00000
     60      -9.4431      1.00000
     61      -9.3565      1.00000
     62      -9.3403      1.00000
     63      -9.3089      1.00000
     64      -9.3031      1.00000
     65      -9.2060      1.00000
     66      -9.1006      1.00000
     67      -9.0699      1.00000
     68      -9.0501      1.00000
     69      -8.8484      1.00000
     70      -8.7978      1.00000
     71      -8.7783      1.00000
     72      -8.5269      1.00000
     73      -8.4947      1.00000
     74      -8.2234      1.00000
     75      -8.1304      1.00000
     76      -8.0941      1.00000
     77      -7.8073      1.00000
     78      -7.7688      1.00000
     79      -7.7402      1.00000
     80      -7.7018      1.00000
     81      -7.6372      1.00000
     82      -7.6259      1.00000
     83      -7.3897      1.00000
     84      -7.3454      1.00000
     85      -7.2259      1.00000
     86      -6.8449      1.00000
     87      -6.8226      1.00000
     88      -6.6379      1.00000
     89      -6.5300      1.00000
     90      -6.3432      1.00000
     91      -6.2730      1.00000
     92      -6.1958      1.00000
     93      -6.1336      1.00000
     94      -6.0203      1.00000
     95      -5.6342      1.00000
     96      -5.5086      1.00000
     97      -5.2986      1.00000
     98      -5.1572      1.00000
     99      -5.0398      1.00000
    100      -4.7255      1.00000
    101      -4.6864      1.00000
    102      -4.3695      1.00000
    103      -4.1842      1.00000
    104      -4.0078      1.00000
    105      -3.8198      1.00000
    106      -3.4861      1.00000
    107      -2.1668      0.00000
    108      -1.3849      0.00000
    109      -1.2378      0.00000
    110      -1.1875      0.00000
    111      -1.0163      0.00000
    112      -0.9579      0.00000
    113      -0.7996      0.00000
    114      -0.7545      0.00000
    115      -0.3705      0.00000
    116       0.2426      0.00000
    117       0.2741      0.00000
    118       0.3614      0.00000
    119       0.7087      0.00000
    120       0.8674      0.00000
    121       0.9634      0.00000
    122       1.1319      0.00000
    123       1.2451      0.00000
    124       1.4598      0.00000
    125       1.5834      0.00000
    126       1.7847      0.00000
    127       1.8478      0.00000
    128       1.8743      0.00000
    129       2.0022      0.00000
    130       2.0412      0.00000
    131       2.1854      0.00000
    132       2.2332      0.00000
    133       2.4151      0.00000
    134       2.4230      0.00000
    135       2.5196      0.00000
    136       2.6577      0.00000
    137       2.6826      0.00000
    138       2.7417      0.00000
    139       2.7879      0.00000
    140       2.8772      0.00000
    141       2.9877      0.00000
    142       3.0987      0.00000
    143       3.1686      0.00000
    144       3.2224      0.00000
    145       3.2666      0.00000
    146       3.3048      0.00000
    147       3.3520      0.00000
    148       3.4970      0.00000
    149       3.5343      0.00000
    150       3.7196      0.00000
    151       3.7373      0.00000
    152       3.7689      0.00000
    153       3.8691      0.00000
    154       3.8809      0.00000
    155       3.9110      0.00000
    156       3.9809      0.00000
    157       4.0106      0.00000
    158       4.0519      0.00000
    159       4.0569      0.00000
    160       4.0947      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3192      1.00000
      2     -21.7610      1.00000
      3     -21.5675      1.00000
      4     -21.5406      1.00000
      5     -21.2046      1.00000
      6     -21.1662      1.00000
      7     -20.9858      1.00000
      8     -20.0984      1.00000
      9     -20.0601      1.00000
     10     -19.5463      1.00000
     11     -19.5262      1.00000
     12     -19.3451      1.00000
     13     -19.0280      1.00000
     14     -18.9884      1.00000
     15     -18.9779      1.00000
     16     -18.9722      1.00000
     17     -18.2963      1.00000
     18     -18.2827      1.00000
     19     -17.9468      1.00000
     20     -17.0006      1.00000
     21     -16.9604      1.00000
     22     -16.8834      1.00000
     23     -16.8705      1.00000
     24     -16.4165      1.00000
     25     -16.3942      1.00000
     26     -15.5411      1.00000
     27     -15.5379      1.00000
     28     -15.1734      1.00000
     29     -15.1721      1.00000
     30     -15.1312      1.00000
     31     -15.0370      1.00000
     32     -15.0017      1.00000
     33     -14.6339      1.00000
     34     -14.6272      1.00000
     35     -13.6634      1.00000
     36     -13.6538      1.00000
     37     -13.1718      1.00000
     38     -12.5735      1.00000
     39     -12.5144      1.00000
     40     -12.3861      1.00000
     41     -12.3857      1.00000
     42     -12.0364      1.00000
     43     -12.0326      1.00000
     44     -11.6552      1.00000
     45     -11.6155      1.00000
     46     -11.2066      1.00000
     47     -11.1582      1.00000
     48     -10.9557      1.00000
     49     -10.9431      1.00000
     50     -10.8610      1.00000
     51     -10.8291      1.00000
     52     -10.6210      1.00000
     53     -10.1460      1.00000
     54     -10.0853      1.00000
     55     -10.0260      1.00000
     56      -9.9445      1.00000
     57      -9.6318      1.00000
     58      -9.6303      1.00000
     59      -9.6032      1.00000
     60      -9.5412      1.00000
     61      -9.5048      1.00000
     62      -9.4797      1.00000
     63      -9.2720      1.00000
     64      -9.2366      1.00000
     65      -9.2074      1.00000
     66      -9.1806      1.00000
     67      -9.0627      1.00000
     68      -9.0482      1.00000
     69      -9.0446      1.00000
     70      -8.8770      1.00000
     71      -8.8098      1.00000
     72      -8.5343      1.00000
     73      -8.5336      1.00000
     74      -8.4954      1.00000
     75      -8.0325      1.00000
     76      -7.8329      1.00000
     77      -7.7978      1.00000
     78      -7.7749      1.00000
     79      -7.7048      1.00000
     80      -7.6860      1.00000
     81      -7.4192      1.00000
     82      -7.2891      1.00000
     83      -7.2532      1.00000
     84      -7.2027      1.00000
     85      -7.0808      1.00000
     86      -7.0796      1.00000
     87      -6.9400      1.00000
     88      -6.7103      1.00000
     89      -6.6743      1.00000
     90      -6.6299      1.00000
     91      -6.5584      1.00000
     92      -6.0727      1.00000
     93      -6.0322      1.00000
     94      -6.0020      1.00000
     95      -5.9391      1.00000
     96      -5.7994      1.00000
     97      -5.1780      1.00000
     98      -4.8933      1.00000
     99      -4.7931      1.00000
    100      -4.6123      1.00000
    101      -4.5136      1.00000
    102      -4.1398      1.00000
    103      -4.0921      1.00000
    104      -3.9326      1.00000
    105      -3.9170      1.00000
    106      -3.8193      1.00000
    107      -1.7538      0.00000
    108      -1.6988      0.00000
    109      -1.4119      0.00000
    110      -1.3734      0.00000
    111      -1.2668      0.00000
    112      -1.2378      0.00000
    113      -0.6277      0.00000
    114      -0.6007      0.00000
    115      -0.1921      0.00000
    116       0.0380      0.00000
    117       0.5911      0.00000
    118       0.7410      0.00000
    119       0.8465      0.00000
    120       0.9277      0.00000
    121       1.1649      0.00000
    122       1.2143      0.00000
    123       1.2479      0.00000
    124       1.4382      0.00000
    125       1.6027      0.00000
    126       1.6518      0.00000
    127       1.7160      0.00000
    128       1.7903      0.00000
    129       1.9169      0.00000
    130       1.9368      0.00000
    131       2.1501      0.00000
    132       2.1862      0.00000
    133       2.2661      0.00000
    134       2.3236      0.00000
    135       2.5620      0.00000
    136       2.5892      0.00000
    137       2.6104      0.00000
    138       2.7689      0.00000
    139       2.8082      0.00000
    140       2.8159      0.00000
    141       2.8915      0.00000
    142       2.9278      0.00000
    143       3.0315      0.00000
    144       3.0527      0.00000
    145       3.1190      0.00000
    146       3.3178      0.00000
    147       3.3370      0.00000
    148       3.3953      0.00000
    149       3.4937      0.00000
    150       3.5984      0.00000
    151       3.6652      0.00000
    152       3.6691      0.00000
    153       3.6858      0.00000
    154       3.9142      0.00000
    155       3.9861      0.00000
    156       4.0278      0.00000
    157       4.0913      0.00000
    158       4.2623      0.00000
    159       4.2670      0.00000
    160       4.2749      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1400      1.00000
      2     -22.0481      1.00000
      3     -21.8860      1.00000
      4     -21.3353      1.00000
      5     -20.9764      1.00000
      6     -20.9473      1.00000
      7     -20.4277      1.00000
      8     -20.3962      1.00000
      9     -20.2161      1.00000
     10     -20.2144      1.00000
     11     -19.8878      1.00000
     12     -19.8243      1.00000
     13     -18.8177      1.00000
     14     -18.7473      1.00000
     15     -18.2660      1.00000
     16     -18.2521      1.00000
     17     -18.0807      1.00000
     18     -18.0742      1.00000
     19     -17.7462      1.00000
     20     -17.7308      1.00000
     21     -17.1954      1.00000
     22     -17.1724      1.00000
     23     -17.0898      1.00000
     24     -17.0686      1.00000
     25     -16.0540      1.00000
     26     -15.8088      1.00000
     27     -15.7993      1.00000
     28     -15.7784      1.00000
     29     -15.1603      1.00000
     30     -14.4861      1.00000
     31     -14.4650      1.00000
     32     -14.2054      1.00000
     33     -13.9172      1.00000
     34     -13.8874      1.00000
     35     -13.7603      1.00000
     36     -13.7397      1.00000
     37     -13.5370      1.00000
     38     -13.5114      1.00000
     39     -13.3015      1.00000
     40     -12.5768      1.00000
     41     -12.1021      1.00000
     42     -12.0782      1.00000
     43     -11.9990      1.00000
     44     -11.9515      1.00000
     45     -11.6065      1.00000
     46     -11.5991      1.00000
     47     -11.0850      1.00000
     48     -11.0624      1.00000
     49     -10.7324      1.00000
     50     -10.6654      1.00000
     51     -10.5536      1.00000
     52     -10.1408      1.00000
     53     -10.1361      1.00000
     54     -10.1008      1.00000
     55      -9.9668      1.00000
     56      -9.9264      1.00000
     57      -9.9219      1.00000
     58      -9.7516      1.00000
     59      -9.7304      1.00000
     60      -9.6986      1.00000
     61      -9.6963      1.00000
     62      -9.3990      1.00000
     63      -9.3901      1.00000
     64      -9.0674      1.00000
     65      -8.9827      1.00000
     66      -8.9825      1.00000
     67      -8.9070      1.00000
     68      -8.8124      1.00000
     69      -8.6503      1.00000
     70      -8.6353      1.00000
     71      -8.5448      1.00000
     72      -8.5028      1.00000
     73      -8.4839      1.00000
     74      -8.3959      1.00000
     75      -8.3839      1.00000
     76      -8.2092      1.00000
     77      -8.1004      1.00000
     78      -8.0071      1.00000
     79      -7.9012      1.00000
     80      -7.8435      1.00000
     81      -7.6213      1.00000
     82      -7.5340      1.00000
     83      -7.4582      1.00000
     84      -7.2627      1.00000
     85      -6.9441      1.00000
     86      -6.8708      1.00000
     87      -6.8121      1.00000
     88      -6.4787      1.00000
     89      -6.4701      1.00000
     90      -6.4114      1.00000
     91      -6.3603      1.00000
     92      -6.1846      1.00000
     93      -5.8587      1.00000
     94      -5.7388      1.00000
     95      -5.7121      1.00000
     96      -5.5216      1.00000
     97      -5.3296      1.00000
     98      -5.1734      1.00000
     99      -5.1688      1.00000
    100      -5.1350      1.00000
    101      -4.6966      1.00000
    102      -4.3506      1.00000
    103      -4.2778      1.00000
    104      -4.0272      1.00000
    105      -3.8212      1.00000
    106      -3.2349      1.00000
    107      -2.4079      0.00000
    108      -1.3467      0.00000
    109      -1.2457      0.00000
    110      -1.1560      0.00000
    111      -1.1108      0.00000
    112      -0.5860      0.00000
    113      -0.5241      0.00000
    114      -0.4362      0.00000
    115      -0.2771      0.00000
    116      -0.0746      0.00000
    117      -0.0143      0.00000
    118       0.0575      0.00000
    119       0.5817      0.00000
    120       0.7077      0.00000
    121       0.8175      0.00000
    122       0.9514      0.00000
    123       1.1921      0.00000
    124       1.5283      0.00000
    125       1.6299      0.00000
    126       1.8841      0.00000
    127       2.0222      0.00000
    128       2.0611      0.00000
    129       2.1088      0.00000
    130       2.1377      0.00000
    131       2.2367      0.00000
    132       2.2846      0.00000
    133       2.3397      0.00000
    134       2.4362      0.00000
    135       2.6112      0.00000
    136       2.7131      0.00000
    137       2.8459      0.00000
    138       2.9120      0.00000
    139       2.9433      0.00000
    140       3.0369      0.00000
    141       3.0681      0.00000
    142       3.1405      0.00000
    143       3.1733      0.00000
    144       3.2388      0.00000
    145       3.3068      0.00000
    146       3.3230      0.00000
    147       3.3599      0.00000
    148       3.3792      0.00000
    149       3.4343      0.00000
    150       3.4581      0.00000
    151       3.5694      0.00000
    152       3.6165      0.00000
    153       3.6719      0.00000
    154       3.7103      0.00000
    155       3.8677      0.00000
    156       3.9193      0.00000
    157       3.9442      0.00000
    158       3.9715      0.00000
    159       4.1777      0.00000
    160       4.2053      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2131      1.00000
      2     -22.0082      1.00000
      3     -21.6461      1.00000
      4     -21.6152      1.00000
      5     -20.9096      1.00000
      6     -20.8695      1.00000
      7     -20.5390      1.00000
      8     -20.5069      1.00000
      9     -20.5002      1.00000
     10     -19.9627      1.00000
     11     -19.4411      1.00000
     12     -19.4192      1.00000
     13     -19.2405      1.00000
     14     -19.2331      1.00000
     15     -18.3764      1.00000
     16     -18.3418      1.00000
     17     -17.8594      1.00000
     18     -17.8433      1.00000
     19     -17.6917      1.00000
     20     -17.6563      1.00000
     21     -17.3731      1.00000
     22     -17.3587      1.00000
     23     -17.2683      1.00000
     24     -16.4140      1.00000
     25     -16.3909      1.00000
     26     -15.9051      1.00000
     27     -15.3441      1.00000
     28     -15.3393      1.00000
     29     -15.0317      1.00000
     30     -15.0222      1.00000
     31     -14.7774      1.00000
     32     -14.7755      1.00000
     33     -14.2383      1.00000
     34     -14.1880      1.00000
     35     -13.3884      1.00000
     36     -13.3346      1.00000
     37     -13.1120      1.00000
     38     -13.1042      1.00000
     39     -12.9182      1.00000
     40     -12.9125      1.00000
     41     -12.5464      1.00000
     42     -12.5390      1.00000
     43     -12.1346      1.00000
     44     -11.5142      1.00000
     45     -11.4703      1.00000
     46     -11.2453      1.00000
     47     -11.2141      1.00000
     48     -11.0873      1.00000
     49     -10.7029      1.00000
     50     -10.5967      1.00000
     51     -10.5078      1.00000
     52     -10.2526      1.00000
     53     -10.2485      1.00000
     54     -10.1210      1.00000
     55     -10.0553      1.00000
     56     -10.0404      1.00000
     57      -9.7841      1.00000
     58      -9.6882      1.00000
     59      -9.6742      1.00000
     60      -9.6390      1.00000
     61      -9.6295      1.00000
     62      -9.5862      1.00000
     63      -9.2966      1.00000
     64      -9.2849      1.00000
     65      -9.2542      1.00000
     66      -9.0610      1.00000
     67      -8.8961      1.00000
     68      -8.8851      1.00000
     69      -8.7190      1.00000
     70      -8.5784      1.00000
     71      -8.5274      1.00000
     72      -8.3505      1.00000
     73      -8.3055      1.00000
     74      -8.2445      1.00000
     75      -8.2391      1.00000
     76      -8.1960      1.00000
     77      -8.1837      1.00000
     78      -8.1711      1.00000
     79      -8.1033      1.00000
     80      -7.6892      1.00000
     81      -7.4241      1.00000
     82      -7.3447      1.00000
     83      -7.2612      1.00000
     84      -7.1705      1.00000
     85      -7.1104      1.00000
     86      -7.0067      1.00000
     87      -6.9044      1.00000
     88      -6.8499      1.00000
     89      -6.5438      1.00000
     90      -6.5004      1.00000
     91      -6.2073      1.00000
     92      -6.2035      1.00000
     93      -5.8954      1.00000
     94      -5.6731      1.00000
     95      -5.6067      1.00000
     96      -5.5809      1.00000
     97      -5.2545      1.00000
     98      -5.2319      1.00000
     99      -5.1660      1.00000
    100      -5.1358      1.00000
    101      -4.6001      1.00000
    102      -4.2483      1.00000
    103      -4.0436      1.00000
    104      -3.8860      1.00000
    105      -3.8369      1.00000
    106      -3.7995      1.00000
    107      -1.8101      0.00000
    108      -1.7836      0.00000
    109      -1.2267      0.00000
    110      -1.1774      0.00000
    111      -0.9763      0.00000
    112      -0.7368      0.00000
    113      -0.6524      0.00000
    114      -0.5963      0.00000
    115      -0.5518      0.00000
    116      -0.1583      0.00000
    117       0.1736      0.00000
    118       0.2856      0.00000
    119       0.7141      0.00000
    120       0.9565      0.00000
    121       1.1688      0.00000
    122       1.2751      0.00000
    123       1.3547      0.00000
    124       1.5232      0.00000
    125       1.6152      0.00000
    126       1.6356      0.00000
    127       1.6931      0.00000
    128       1.7829      0.00000
    129       1.8768      0.00000
    130       2.0509      0.00000
    131       2.1716      0.00000
    132       2.2926      0.00000
    133       2.4204      0.00000
    134       2.4212      0.00000
    135       2.5748      0.00000
    136       2.6384      0.00000
    137       2.6963      0.00000
    138       2.7141      0.00000
    139       2.7907      0.00000
    140       2.9208      0.00000
    141       3.0693      0.00000
    142       3.0722      0.00000
    143       3.2056      0.00000
    144       3.2917      0.00000
    145       3.4042      0.00000
    146       3.4236      0.00000
    147       3.4673      0.00000
    148       3.5574      0.00000
    149       3.5978      0.00000
    150       3.6407      0.00000
    151       3.6756      0.00000
    152       3.6992      0.00000
    153       3.7715      0.00000
    154       3.7744      0.00000
    155       3.8410      0.00000
    156       3.9154      0.00000
    157       3.9173      0.00000
    158       3.9837      0.00000
    159       4.2055      0.00000
    160       4.2417      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0405   -7.2584    3.9826   -1.1309   -0.1847   17.3746    0.4907   -0.8150    0.7703   -0.4756
x    -3.1260   -0.0251   -0.0203   -0.0268    0.0913   -3.0545    0.0306   -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   204.0405    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   -0.0316    0.0612    0.0190
y     0.0232   -3.2422   -0.1784    0.1690   -2.4184   -0.6651
z   204.0405    1.7476    0.2912    0.0885    0.0008    0.0706   -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    0.0985    0.0006   -0.0010   -0.0001   -0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0012   -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  -16.5806
z     0.1472    0.2351   -0.0299    0.0567   -0.0953    0.0006
 total charge-density along one line
x   212.0000  -10.0899    5.9296   -1.9398   -0.4203   19.2937   -0.6590    0.2077    0.0647   -0.1043
x    -2.7066   -0.0087    0.0023   -0.0462    0.0977   -2.3460    0.0480   -0.0342    0.0116    0.0024
x    -0.0853   -0.0055    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  -10.0899    5.9296   -1.9398   -0.4203   19.2937   -0.6590    0.2077    0.0647   -0.1043
y    -2.7066   -0.0087    0.0023   -0.0462    0.0977   -2.3460    0.0480   -0.0342    0.0116    0.0024
y    -0.0853   -0.0055    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 -205.3183  188.8940 -170.1562  154.0054 -140.2620  126.3281 -110.8436   94.5743  -78.9122
z    64.5598  -51.6460   40.4233  -31.3645   24.6271  -19.7018   15.7283  -12.1191    8.8430   -6.1696
z     4.2422   -2.9170    1.9320   -1.1363    0.5325   -0.1498   -0.0641    0.2168   -0.3718    0.5046
z    -0.5571    0.5168   -0.4328    0.3655   -0.3343    0.3164   -0.2846    0.2368   -0.1898    0.1566
z    -0.1346    0.1143   -0.0918    0.0713   -0.0575    0.0499   -0.0440    0.0369   -0.0294    0.0239
z    -0.0208    0.0186   -0.0159    0.0129   -0.0103    0.0084   -0.0068    0.0052   -0.0038    0.0028
z    -0.0020    0.0012   -0.0004   -0.0002    0.0004   -0.0004    0.0004   -0.0006    0.0007   -0.0006
z     0.0004   -0.0002    0.0001    0.0000    0.0000    0.0001   -0.0002    0.0003   -0.0003    0.0003
z    -0.0002    0.0002   -0.0002    0.0001   -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0000   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.938   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  -0.025   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
-10.938   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  -0.025   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   0.022   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   0.293   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   0.109   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   0.555   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   0.109   0.000   0.205   0.000   0.000   0.000   0.065   0.000  -0.018  -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  -0.035   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   0.043   0.000   0.012  -0.004
  0.000   0.000   0.097   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  -0.018   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  -0.007   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   1.784   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   2.647
 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   2.647
 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   2.628
 42        0.863   1.777   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       44.830  89.420   8.027 142.277
 


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


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


    CHARGE:  VPU time  113.73: CPU time   57.36
    FORLOC:  VPU time    1.25: CPU time    1.25
    FORNL :  VPU time  442.70: CPU time  221.77
    STRESS:  VPU time 1344.74: CPU time  675.76
    FORCOR:  VPU time    8.67: CPU time    8.67
    FORHAR:  VPU time    2.30: CPU time    2.29
    MIXING:  VPU time    0.16: CPU time    0.16
 d Force =-0.3764242E-05[-0.373E-05,-0.380E-05]  d Energy = 0.1487699E-04-0.186E-04
 d Force =-0.2440100E+00[-0.244E+00,-0.244E+00]  d Ewald  =-0.2055717E+01 0.181E+01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.645173 eV

  energy  without entropy=     -471.645173  energy(sigma->0) =     -471.645173
 

  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    40703.64  40720.00 -47403.06     14.17      0.00      0.00
  Hartree  40170.20  40173.48 -39423.04      2.83      0.00      0.00
  E(xc)     -779.70   -779.50   -807.22      0.17      0.00      0.00
  Local   -83167.15 -83180.55  84143.56    -11.61      0.00      0.00
  n-local   -215.76   -215.68   -203.85     -0.18      0.00      0.00
  augment     22.10     20.52     17.38     -1.37      0.00      0.00
  Kinetic   3168.42   3171.06   3582.08     -6.17      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.53     -0.50     -0.22      0.02      0.00      0.00
  in kB       -0.32     -0.31     -0.13      0.01      0.00      0.00
  external pressure =       -0.25 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.348507030  0.001533112  0.000000000     0.080975647  0.046737977  0.000000000
    -6.172932444 10.694883166  0.000000000    -0.000011608  0.093495958  0.000000000
     0.000000000  0.000000000 19.973921983     0.000000000  0.000000000  0.050065280

  length of vectors
    12.348507125 12.348506829 19.973921983     0.093495956  0.093495959  0.050065280


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.362E-05 -.460E-04 -.959E+03   0.427E-05 -.273E-04 0.967E+03   0.146E-23 0.146E-23 -.792E+01   0.998E-08 -.595E-08 -.671E-02
   -.176E+02 -.305E+02 -.136E+03   0.184E+02 0.319E+02 0.138E+03   -.833E+00 -.144E+01 -.258E+01   0.107E-03 0.184E-03 0.517E-03
   0.176E+02 0.305E+02 -.136E+03   -.184E+02 -.319E+02 0.138E+03   0.833E+00 0.144E+01 -.258E+01   -.107E-03 -.184E-03 0.517E-03
   -.196E+01 0.113E+01 0.181E+02   0.197E+01 -.114E+01 -.181E+02   -.961E-02 0.555E-02 -.551E-03   -.198E-04 0.851E-05 -.116E-02
   0.578E+01 0.684E+01 0.207E+02   -.579E+01 -.687E+01 -.206E+02   0.565E-02 0.338E-01 -.162E-01   0.317E-03 -.168E-03 -.786E-03
   0.112E+02 0.504E+01 0.185E+02   -.112E+02 -.505E+01 -.185E+02   0.248E-01 0.807E-02 -.526E-01   0.385E-03 0.489E-04 -.726E-04
   0.450E+01 -.101E+01 0.164E+02   -.452E+01 0.103E+01 -.164E+02   0.208E-01 -.166E-01 -.188E-03   -.384E-03 -.348E-03 -.293E-03
   -.292E+01 -.238E+01 0.153E+02   0.294E+01 0.240E+01 -.153E+02   -.138E-01 -.152E-01 0.150E-02   -.300E-03 0.399E-03 -.244E-03
   0.601E+00 0.372E+01 0.153E+02   -.605E+00 -.374E+01 -.153E+02   0.625E-02 0.195E-01 0.150E-02   -.501E-03 0.544E-04 -.248E-03
   0.273E+01 0.181E+02 0.248E+02   -.274E+01 -.182E+02 -.248E+02   0.971E-02 0.109E+00 -.956E-02   0.603E-04 0.345E-03 -.309E-03
   0.214E+02 0.225E+02 0.393E+02   -.215E+02 -.227E+02 -.393E+02   0.118E+00 0.227E+00 -.192E-01   0.255E-03 0.390E-03 -.398E-03
   0.264E+02 -.448E+01 0.264E+02   -.267E+02 0.460E+01 -.264E+02   0.234E+00 -.117E+00 -.595E-01   0.711E-03 -.322E-03 -.376E-03
   0.914E+01 -.528E+01 0.155E+02   -.916E+01 0.529E+01 -.155E+02   0.167E-01 -.962E-02 0.635E-02   -.134E-03 0.709E-04 -.267E-03
   0.313E+01 -.339E+01 0.164E+02   -.315E+01 0.340E+01 -.164E+02   0.248E-01 -.975E-02 -.188E-03   0.107E-03 0.502E-03 -.302E-03
   -.605E+01 0.131E+02 0.198E+02   0.606E+01 -.132E+02 -.198E+02   -.533E-02 0.749E-01 -.123E-01   -.449E-03 0.471E-04 -.184E-03
   -.122E+02 0.333E+02 0.453E+02   0.123E+02 -.340E+02 -.457E+02   -.916E-01 0.675E+00 0.349E+00   -.217E-03 0.529E-03 0.268E-03
   0.263E+02 -.152E+02 0.684E+02   -.272E+02 0.157E+02 -.704E+02   0.962E+00 -.555E+00 0.208E+01   0.396E-03 -.231E-03 0.274E-02
   0.171E+02 -.207E+02 0.264E+02   -.173E+02 0.208E+02 -.264E+02   0.218E+00 -.144E+00 -.595E-01   0.633E-03 -.463E-03 -.381E-03
   0.124E+01 -.122E+02 0.185E+02   -.125E+01 0.123E+02 -.185E+02   0.540E-02 -.255E-01 -.526E-01   0.153E-03 -.359E-03 -.782E-04
   -.387E+01 0.155E+01 0.145E+02   0.388E+01 -.156E+01 -.144E+02   -.581E-02 0.217E-02 -.427E-01   -.409E-04 0.429E-03 -.114E-03
   -.181E+02 0.105E+02 0.206E+02   0.182E+02 -.105E+02 -.205E+02   -.650E-01 0.375E-01 -.127E+00   -.262E-03 0.155E-03 -.559E-03
   -.350E+02 -.609E+01 0.453E+02   0.356E+02 0.635E+01 -.457E+02   -.630E+00 -.258E+00 0.349E+00   -.563E-03 -.777E-04 0.272E-03
   -.882E+01 -.298E+02 0.393E+02   0.896E+01 0.300E+02 -.393E+02   -.138E+00 -.216E+00 -.192E-01   -.207E-03 -.420E-03 -.400E-03
   -.303E+01 -.843E+01 0.207E+02   0.306E+01 0.845E+01 -.206E+02   -.264E-01 -.218E-01 -.162E-01   0.306E-03 -.192E-03 -.786E-03
   0.127E+01 -.734E+00 0.152E+02   -.127E+01 0.734E+00 -.152E+02   -.159E-02 0.920E-03 -.343E-01   0.160E-03 -.903E-04 -.753E-03
   -.328E+01 0.258E+01 0.145E+02   0.329E+01 -.258E+01 -.144E+02   -.479E-02 0.395E-02 -.427E-01   -.390E-03 -.175E-03 -.109E-03
   -.144E+02 -.133E+01 0.198E+02   0.145E+02 0.136E+01 -.198E+02   -.675E-01 -.328E-01 -.123E-01   -.263E-03 0.363E-03 -.176E-03
   -.143E+02 -.114E+02 0.248E+02   0.144E+02 0.115E+02 -.248E+02   -.896E-01 -.630E-01 -.956E-02   -.267E-03 -.230E-03 -.306E-03
   0.303E+01 0.843E+01 0.207E+02   -.306E+01 -.845E+01 -.206E+02   0.264E-01 0.218E-01 -.162E-01   -.306E-03 0.192E-03 -.786E-03
   0.143E+02 0.114E+02 0.248E+02   -.144E+02 -.115E+02 -.248E+02   0.896E-01 0.630E-01 -.956E-02   0.267E-03 0.230E-03 -.306E-03
   0.144E+02 0.133E+01 0.198E+02   -.145E+02 -.136E+01 -.198E+02   0.675E-01 0.328E-01 -.123E-01   0.263E-03 -.363E-03 -.176E-03
   0.328E+01 -.258E+01 0.145E+02   -.329E+01 0.258E+01 -.144E+02   0.479E-02 -.395E-02 -.427E-01   0.390E-03 0.175E-03 -.109E-03
   -.127E+01 0.734E+00 0.152E+02   0.127E+01 -.734E+00 -.152E+02   0.159E-02 -.920E-03 -.343E-01   -.160E-03 0.903E-04 -.753E-03
   -.124E+01 0.122E+02 0.185E+02   0.125E+01 -.123E+02 -.185E+02   -.540E-02 0.255E-01 -.526E-01   -.153E-03 0.359E-03 -.782E-04
   0.882E+01 0.298E+02 0.393E+02   -.896E+01 -.300E+02 -.393E+02   0.138E+00 0.216E+00 -.192E-01   0.207E-03 0.420E-03 -.400E-03
   0.350E+02 0.609E+01 0.453E+02   -.356E+02 -.635E+01 -.457E+02   0.630E+00 0.258E+00 0.349E+00   0.563E-03 0.777E-04 0.272E-03
   0.181E+02 -.105E+02 0.206E+02   -.182E+02 0.105E+02 -.205E+02   0.650E-01 -.375E-01 -.127E+00   0.262E-03 -.155E-03 -.559E-03
   0.387E+01 -.155E+01 0.145E+02   -.388E+01 0.156E+01 -.144E+02   0.581E-02 -.217E-02 -.427E-01   0.409E-04 -.429E-03 -.114E-03
   -.313E+01 0.339E+01 0.164E+02   0.315E+01 -.340E+01 -.164E+02   -.248E-01 0.975E-02 -.188E-03   -.107E-03 -.502E-03 -.302E-03
   -.171E+02 0.207E+02 0.264E+02   0.173E+02 -.208E+02 -.264E+02   -.218E+00 0.144E+00 -.595E-01   -.633E-03 0.463E-03 -.381E-03
   -.263E+02 0.152E+02 0.684E+02   0.272E+02 -.157E+02 -.704E+02   -.962E+00 0.555E+00 0.208E+01   -.396E-03 0.231E-03 0.274E-02
   0.122E+02 -.333E+02 0.453E+02   -.123E+02 0.340E+02 -.457E+02   0.916E-01 -.675E+00 0.349E+00   0.217E-03 -.529E-03 0.268E-03
   0.605E+01 -.131E+02 0.198E+02   -.606E+01 0.132E+02 -.198E+02   0.533E-02 -.749E-01 -.123E-01   0.449E-03 -.471E-04 -.184E-03
   -.601E+00 -.372E+01 0.153E+02   0.605E+00 0.374E+01 -.153E+02   -.625E-02 -.195E-01 0.150E-02   0.501E-03 -.544E-04 -.248E-03
   -.914E+01 0.528E+01 0.155E+02   0.916E+01 -.529E+01 -.155E+02   -.167E-01 0.962E-02 0.635E-02   0.134E-03 -.709E-04 -.267E-03
   -.264E+02 0.448E+01 0.264E+02   0.267E+02 -.460E+01 -.264E+02   -.234E+00 0.117E+00 -.595E-01   -.711E-03 0.322E-03 -.376E-03
   -.214E+02 -.225E+02 0.393E+02   0.215E+02 0.227E+02 -.393E+02   -.118E+00 -.227E+00 -.192E-01   -.255E-03 -.390E-03 -.398E-03
   -.273E+01 -.181E+02 0.248E+02   0.274E+01 0.182E+02 -.248E+02   -.971E-02 -.109E+00 -.956E-02   -.603E-04 -.345E-03 -.309E-03
   0.196E+01 -.113E+01 0.181E+02   -.197E+01 0.114E+01 -.181E+02   0.961E-02 -.555E-02 -.551E-03   0.198E-04 -.851E-05 -.116E-02
   0.292E+01 0.238E+01 0.153E+02   -.294E+01 -.240E+01 -.153E+02   0.138E-01 0.152E-01 0.150E-02   0.300E-03 -.399E-03 -.244E-03
   -.450E+01 0.101E+01 0.164E+02   0.452E+01 -.103E+01 -.164E+02   -.208E-01 0.166E-01 -.188E-03   0.384E-03 0.348E-03 -.293E-03
   -.112E+02 -.504E+01 0.185E+02   0.112E+02 0.505E+01 -.185E+02   -.248E-01 -.807E-02 -.526E-01   -.385E-03 -.489E-04 -.726E-04
   -.578E+01 -.684E+01 0.207E+02   0.579E+01 0.687E+01 -.206E+02   -.565E-02 -.338E-01 -.162E-01   -.317E-03 0.168E-03 -.786E-03
 -----------------------------------------------------------------------------------------------
   -.183E-02 0.313E-03 0.872E+01   0.453E-13 0.306E-12 0.469E-12   -.135E-15 0.298E-15 -.869E+01   0.230E-07 -.132E-07 -.157E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85302      6.06110     12.32532         0.000000      0.000000     -0.018378
      2.26231      6.77000     13.64140         0.004248      0.007358      0.011361
      1.44374      5.35220     13.64140        -0.004248     -0.007358      0.011361
      0.00055     -0.00032      9.93376        -0.000902      0.000521      0.000145
     11.11318      2.13935      9.93627        -0.001845      0.001788     -0.000031
      9.87757      4.27904      9.95137         0.000262     -0.002019      0.000534
      8.64403      6.41846      9.95131         0.003168      0.001028      0.001259
     -4.93678      8.55600      9.94520         0.001732     -0.001374     -0.001064
      2.47040     -0.00110      9.94520         0.002055     -0.000813     -0.001064
      1.23479      2.13632      9.95082         0.000347     -0.002434     -0.001883
     -0.00397      4.27516      9.98214         0.002929      0.000543     -0.001679
     -1.23848      6.41631      9.98859        -0.001453      0.002561     -0.001602
     -2.46736      8.55547      9.95957        -0.002057      0.001188      0.000607
      4.93904      0.00124      9.95131         0.000694     -0.003257      0.001259
      3.70510      2.13663      9.95997         0.001812      0.001030     -0.001393
      2.47087      4.26347     10.02682        -0.001018     -0.000431      0.003937
      1.22852      6.42165     10.09940         0.001451     -0.000838      0.006527
     -0.00035      8.56081      9.98859        -0.002944     -0.000022     -0.001602
      7.40861      0.00267      9.95137         0.001880      0.000783      0.000534
      6.17390      2.14013      9.95189         0.001658     -0.000896     -0.000964
      4.94073      4.27841      9.98245        -0.003094      0.001786     -0.000524
      3.71874      6.42484     10.02682        -0.000136      0.001097      0.003937
      2.47120      8.56227      9.98214         0.000995     -0.002808     -0.001679
      9.87944      0.00245      9.93627        -0.002471      0.000704     -0.000031
      8.64344      2.14065      9.94038        -0.000354      0.000204     -0.003153
      7.40912      4.27959      9.95189         0.001605     -0.000988     -0.000964
      6.17775      6.41939      9.95997         0.000014     -0.002084     -0.001393
      4.94287      8.55890      9.95082         0.002281      0.000917     -0.001883
     -0.00045      1.42486      9.93627         0.002471     -0.000704     -0.000031
     -1.23682      3.56330      9.95082        -0.002281     -0.000917     -0.001883
     -2.47170      5.70281      9.95997        -0.000014      0.002084     -0.001393
     -3.70307      7.84260      9.95189        -0.001605      0.000988     -0.000964
     -4.93739      9.98154      9.94038         0.000354     -0.000204     -0.003153
      2.47038      1.42464      9.95137        -0.001880     -0.000783      0.000534
      1.23485      3.55993      9.98214        -0.000995      0.002808     -0.001679
     -0.01269      5.69736     10.02682         0.000136     -0.001097      0.003937
     -1.23468      7.84379      9.98245         0.003094     -0.001786     -0.000524
     -2.46786      9.98207      9.95189        -0.001658      0.000896     -0.000964
      4.93994      1.42608      9.95131        -0.000694      0.003257      0.001259
      3.70640      3.56138      9.98859         0.002944      0.000022     -0.001602
      2.47753      5.70054     10.09940        -0.001451      0.000838      0.006527
      1.23518      7.85872     10.02682         0.001018      0.000431      0.003937
      0.00095      9.98556      9.95997        -0.001812     -0.001030     -0.001393
      7.40858      1.42841      9.94520        -0.002055      0.000813     -0.001064
      6.17341      3.56673      9.95957         0.002057     -0.001188      0.000607
      4.94453      5.70589      9.98859         0.001453     -0.002561     -0.001602
      3.71002      7.84704      9.98214        -0.002929     -0.000543     -0.001679
      2.47126      9.98588      9.95082        -0.000347      0.002434     -0.001883
      9.87844      1.42763      9.93376         0.000902     -0.000521      0.000145
      8.64283      3.56620      9.94520        -0.001732      0.001374     -0.001064
      7.41053      5.70527      9.95131        -0.003168     -0.001028      0.001259
      6.17699      7.84469      9.95137        -0.000262      0.002019      0.000534
      4.94138      9.98438      9.93627         0.001845     -0.001788     -0.000031
 -----------------------------------------------------------------------------------
    total drift:                               -0.001830      0.000313      0.015356


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




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


    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  189.78: CPU time   95.07
     LOOP+:  VPU time 5270.36: CPU time 2712.71


----------------------------------------- Iteration   28(   1)  ---------------------------------------


    POTLOK:  VPU time    9.26: CPU time    9.11
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1714.80: CPU time  887.91
 BZINTS: Fermi energy: -3.148203;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  113.66: CPU time   57.35
    MIXING:  VPU time    0.13: CPU time    0.13
    ------------------------------------------
      LOOP:  VPU time 1838.25: CPU time  954.88

 eigenvalue-minimisations  :  5608
 total energy-change (2. order) :-0.4716452E+03  (-0.8692355E-04)
 number of electron  212.0000065 magnetization    0.0000000
 augmentation part     7.9593409 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.83580E-03    rms(broyden)= 0.83541E-03
  rms(prec ) = 0.94534E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34022.84853427
  -1/2 Hartree   DENC   =    -40922.65384097
  -V(xc)+E(xc)   XCENC  =       726.55759972
  PAW double counting   =      4091.86227157    -4130.23134596
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.46827468
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64520247 eV

  energy without entropy =     -471.64520247  energy(sigma->0) =     -471.64520247


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




----------------------------------------- Iteration   28(   2)  ---------------------------------------


    POTLOK:  VPU time    9.05: CPU time    9.05
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1410.65: CPU time  731.17
 BZINTS: Fermi energy: -3.147822;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1420.11: CPU time  740.59

 eigenvalue-minimisations  :  4192
 total energy-change (2. order) :-0.1633662E-05  (-0.1947068E-05)
 number of electron  212.0000065 magnetization    0.0000000
 augmentation part     7.9593409 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34022.84853427
  -1/2 Hartree   DENC   =    -40922.71106910
  -V(xc)+E(xc)   XCENC  =       726.55959878
  PAW double counting   =      4091.86679544    -4130.23581287
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2465.41310422
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.64520410 eV

  energy without entropy =     -471.64520410  energy(sigma->0) =     -471.64520410


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




 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 -58.5329       2 -39.9733       3 -39.9733       4 -58.2475       5 -58.2520
       6 -58.2590       7 -58.2499       8 -58.2482       9 -58.2481      10 -58.2640
      11 -58.3186      12 -58.2953      13 -58.2530      14 -58.2499      15 -58.2607
      16 -58.4398      17 -58.7322      18 -58.2953      19 -58.2590      20 -58.2536
      21 -58.2804      22 -58.4398      23 -58.3187      24 -58.2520      25 -58.2469
      26 -58.2536      27 -58.2608      28 -58.2641      29 -58.2519      30 -58.2639
      31 -58.2606      32 -58.2535      33 -58.2468      34 -58.2589      35 -58.3185
      36 -58.4397      37 -58.2803      38 -58.2535      39 -58.2497      40 -58.2952
      41 -58.7321      42 -58.4398      43 -58.2607      44 -58.2480      45 -58.2529
      46 -58.2952      47 -58.3186      48 -58.2639      49 -58.2474      50 -58.2480
      51 -58.2498      52 -58.2590      53 -58.2519
 
 
 
 E-fermi :  -3.1478     XC(G=0):  -2.3338     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     -21.5360      1.00000
      3     -21.4075      1.00000
      4     -21.4068      1.00000
      5     -21.3754      1.00000
      6     -21.3666      1.00000
      7     -21.3592      1.00000
      8     -19.6459      1.00000
      9     -19.5729      1.00000
     10     -19.5659      1.00000
     11     -19.5594      1.00000
     12     -19.5411      1.00000
     13     -19.5384      1.00000
     14     -18.7284      1.00000
     15     -18.6803      1.00000
     16     -18.6730      1.00000
     17     -18.6596      1.00000
     18     -18.6443      1.00000
     19     -18.6427      1.00000
     20     -16.5868      1.00000
     21     -16.5277      1.00000
     22     -16.5253      1.00000
     23     -16.5127      1.00000
     24     -16.4882      1.00000
     25     -16.4865      1.00000
     26     -15.5591      1.00000
     27     -15.5270      1.00000
     28     -15.5264      1.00000
     29     -15.5007      1.00000
     30     -15.4960      1.00000
     31     -15.4902      1.00000
     32     -14.2071      1.00000
     33     -14.1814      1.00000
     34     -14.1686      1.00000
     35     -14.1663      1.00000
     36     -14.1612      1.00000
     37     -14.1502      1.00000
     38     -11.8839      1.00000
     39     -11.8095      1.00000
     40     -11.7938      1.00000
     41     -11.7935      1.00000
     42     -11.7905      1.00000
     43     -11.7847      1.00000
     44     -11.7059      1.00000
     45     -11.6995      1.00000
     46     -11.6738      1.00000
     47     -11.6591      1.00000
     48     -11.6590      1.00000
     49     -11.6519      1.00000
     50     -10.6698      1.00000
     51     -10.3302      1.00000
     52     -10.3222      1.00000
     53     -10.3067      1.00000
     54     -10.3055      1.00000
     55     -10.2924      1.00000
     56     -10.2795      1.00000
     57      -9.9226      1.00000
     58      -9.3728      1.00000
     59      -9.3600      1.00000
     60      -9.3009      1.00000
     61      -9.2929      1.00000
     62      -9.2861      1.00000
     63      -9.0928      1.00000
     64      -9.0561      1.00000
     65      -9.0509      1.00000
     66      -9.0283      1.00000
     67      -9.0087      1.00000
     68      -9.0038      1.00000
     69      -9.0023      1.00000
     70      -8.9967      1.00000
     71      -8.9936      1.00000
     72      -8.9744      1.00000
     73      -8.9669      1.00000
     74      -8.9561      1.00000
     75      -8.4860      1.00000
     76      -7.5170      1.00000
     77      -7.4123      1.00000
     78      -7.4121      1.00000
     79      -7.3979      1.00000
     80      -7.3857      1.00000
     81      -7.3661      1.00000
     82      -7.3436      1.00000
     83      -7.3129      1.00000
     84      -7.2670      1.00000
     85      -7.2072      1.00000
     86      -7.1810      1.00000
     87      -7.1809      1.00000
     88      -7.0808      1.00000
     89      -6.5074      1.00000
     90      -6.4614      1.00000
     91      -6.3557      1.00000
     92      -6.2954      1.00000
     93      -6.2892      1.00000
     94      -6.2880      1.00000
     95      -5.8994      1.00000
     96      -5.8871      1.00000
     97      -5.0413      1.00000
     98      -4.9365      1.00000
     99      -4.5370      1.00000
    100      -4.3426      1.00000
    101      -4.3198      1.00000
    102      -4.3188      1.00000
    103      -4.1189      1.00000
    104      -3.9137      1.00000
    105      -3.9032      1.00000
    106      -3.8259      1.00000
    107      -1.6837      0.00000
    108      -1.6702      0.00000
    109      -1.5392      0.00000
    110      -1.5376      0.00000
    111      -1.5257      0.00000
    112      -1.5118      0.00000
    113      -0.5922      0.00000
    114       0.1306      0.00000
    115       0.2041      0.00000
    116       0.3220      0.00000
    117       0.3237      0.00000
    118       0.3311      0.00000
    119       0.4909      0.00000
    120       0.6027      0.00000
    121       1.2586      0.00000
    122       1.2835      0.00000
    123       1.5377      0.00000
    124       1.7772      0.00000
    125       1.8105      0.00000
    126       1.8139      0.00000
    127       1.8193      0.00000
    128       1.9440      0.00000
    129       1.9864      0.00000
    130       2.0285      0.00000
    131       2.0422      0.00000
    132       2.0473      0.00000
    133       2.0535      0.00000
    134       2.0618      0.00000
    135       2.3186      0.00000
    136       2.3194      0.00000
    137       2.6377      0.00000
    138       2.6455      0.00000
    139       2.6772      0.00000
    140       2.7526      0.00000
    141       2.8804      0.00000
    142       3.0164      0.00000
    143       3.0388      0.00000
    144       3.0689      0.00000
    145       3.0734      0.00000
    146       3.0734      0.00000
    147       3.1045      0.00000
    148       3.2496      0.00000
    149       3.4474      0.00000
    150       3.5568      0.00000
    151       3.7888      0.00000
    152       3.9539      0.00000
    153       3.9827      0.00000
    154       3.9874      0.00000
    155       3.9935      0.00000
    156       4.0106      0.00000
    157       4.1952      0.00000
    158       4.2743      0.00000
    159       4.2902      0.00000
    160       4.2915      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3200      1.00000
      2     -21.7614      1.00000
      3     -21.5709      1.00000
      4     -21.5384      1.00000
      5     -21.2080      1.00000
      6     -21.1635      1.00000
      7     -20.9878      1.00000
      8     -20.1021      1.00000
      9     -20.0584      1.00000
     10     -19.5467      1.00000
     11     -19.5224      1.00000
     12     -19.3498      1.00000
     13     -19.0252      1.00000
     14     -18.9903      1.00000
     15     -18.9823      1.00000
     16     -18.9701      1.00000
     17     -18.2982      1.00000
     18     -18.2790      1.00000
     19     -17.9530      1.00000
     20     -17.0105      1.00000
     21     -16.9609      1.00000
     22     -16.8798      1.00000
     23     -16.8700      1.00000
     24     -16.4060      1.00000
     25     -16.3913      1.00000
     26     -15.5527      1.00000
     27     -15.5367      1.00000
     28     -15.1987      1.00000
     29     -15.1703      1.00000
     30     -15.1157      1.00000
     31     -15.0287      1.00000
     32     -15.0042      1.00000
     33     -14.6373      1.00000
     34     -14.6256      1.00000
     35     -13.6685      1.00000
     36     -13.6533      1.00000
     37     -13.1709      1.00000
     38     -12.5522      1.00000
     39     -12.5194      1.00000
     40     -12.3920      1.00000
     41     -12.3790      1.00000
     42     -12.0586      1.00000
     43     -12.0360      1.00000
     44     -11.6600      1.00000
     45     -11.6184      1.00000
     46     -11.1819      1.00000
     47     -11.1585      1.00000
     48     -10.9657      1.00000
     49     -10.9421      1.00000
     50     -10.8743      1.00000
     51     -10.8385      1.00000
     52     -10.5998      1.00000
     53     -10.0941      1.00000
     54     -10.0898      1.00000
     55     -10.0461      1.00000
     56      -9.9704      1.00000
     57      -9.6550      1.00000
     58      -9.6307      1.00000
     59      -9.5926      1.00000
     60      -9.5307      1.00000
     61      -9.5122      1.00000
     62      -9.4803      1.00000
     63      -9.2644      1.00000
     64      -9.2428      1.00000
     65      -9.2218      1.00000
     66      -9.1678      1.00000
     67      -9.0693      1.00000
     68      -9.0483      1.00000
     69      -9.0425      1.00000
     70      -8.8829      1.00000
     71      -8.8078      1.00000
     72      -8.5759      1.00000
     73      -8.5241      1.00000
     74      -8.4540      1.00000
     75      -8.0371      1.00000
     76      -7.8104      1.00000
     77      -7.8075      1.00000
     78      -7.7938      1.00000
     79      -7.7018      1.00000
     80      -7.6927      1.00000
     81      -7.3682      1.00000
     82      -7.2747      1.00000
     83      -7.2664      1.00000
     84      -7.2181      1.00000
     85      -7.1735      1.00000
     86      -7.0101      1.00000
     87      -6.9494      1.00000
     88      -6.7460      1.00000
     89      -6.6729      1.00000
     90      -6.5958      1.00000
     91      -6.5607      1.00000
     92      -6.0524      1.00000
     93      -6.0473      1.00000
     94      -6.0229      1.00000
     95      -5.9609      1.00000
     96      -5.7375      1.00000
     97      -5.1518      1.00000
     98      -4.9891      1.00000
     99      -4.7189      1.00000
    100      -4.6126      1.00000
    101      -4.4403      1.00000
    102      -4.3747      1.00000
    103      -4.1229      1.00000
    104      -3.8698      1.00000
    105      -3.8272      1.00000
    106      -3.7920      1.00000
    107      -1.7876      0.00000
    108      -1.7410      0.00000
    109      -1.3970      0.00000
    110      -1.3486      0.00000
    111      -1.2673      0.00000
    112      -1.2286      0.00000
    113      -0.7491      0.00000
    114      -0.3835      0.00000
    115      -0.2231      0.00000
    116      -0.0236      0.00000
    117       0.5924      0.00000
    118       0.7371      0.00000
    119       0.7623      0.00000
    120       1.0478      0.00000
    121       1.1387      0.00000
    122       1.2489      0.00000
    123       1.2756      0.00000
    124       1.4203      0.00000
    125       1.4855      0.00000
    126       1.5969      0.00000
    127       1.7561      0.00000
    128       1.8401      0.00000
    129       1.8925      0.00000
    130       1.9586      0.00000
    131       2.1003      0.00000
    132       2.2502      0.00000
    133       2.2555      0.00000
    134       2.3146      0.00000
    135       2.4988      0.00000
    136       2.6168      0.00000
    137       2.6439      0.00000
    138       2.7800      0.00000
    139       2.8117      0.00000
    140       2.8415      0.00000
    141       2.8676      0.00000
    142       2.8884      0.00000
    143       2.9529      0.00000
    144       3.1078      0.00000
    145       3.2966      0.00000
    146       3.3170      0.00000
    147       3.3646      0.00000
    148       3.3890      0.00000
    149       3.4816      0.00000
    150       3.5954      0.00000
    151       3.6360      0.00000
    152       3.6881      0.00000
    153       3.7232      0.00000
    154       3.9279      0.00000
    155       3.9443      0.00000
    156       3.9925      0.00000
    157       4.0901      0.00000
    158       4.2167      0.00000
    159       4.2718      0.00000
    160       4.3067      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2142      1.00000
      2     -22.0083      1.00000
      3     -21.6495      1.00000
      4     -21.6128      1.00000
      5     -20.9132      1.00000
      6     -20.8673      1.00000
      7     -20.5460      1.00000
      8     -20.5070      1.00000
      9     -20.4967      1.00000
     10     -19.9643      1.00000
     11     -19.4429      1.00000
     12     -19.4161      1.00000
     13     -19.2424      1.00000
     14     -19.2281      1.00000
     15     -18.3848      1.00000
     16     -18.3409      1.00000
     17     -17.8609      1.00000
     18     -17.8401      1.00000
     19     -17.6988      1.00000
     20     -17.6565      1.00000
     21     -17.3731      1.00000
     22     -17.3572      1.00000
     23     -17.2757      1.00000
     24     -16.4024      1.00000
     25     -16.3877      1.00000
     26     -15.8973      1.00000
     27     -15.3534      1.00000
     28     -15.3382      1.00000
     29     -15.0357      1.00000
     30     -15.0220      1.00000
     31     -14.8010      1.00000
     32     -14.7764      1.00000
     33     -14.2230      1.00000
     34     -14.1914      1.00000
     35     -13.3722      1.00000
     36     -13.3389      1.00000
     37     -13.1211      1.00000
     38     -13.1038      1.00000
     39     -12.9170      1.00000
     40     -12.9037      1.00000
     41     -12.5581      1.00000
     42     -12.5403      1.00000
     43     -12.1346      1.00000
     44     -11.5225      1.00000
     45     -11.4752      1.00000
     46     -11.2546      1.00000
     47     -11.2212      1.00000
     48     -11.0811      1.00000
     49     -10.6576      1.00000
     50     -10.5905      1.00000
     51     -10.5219      1.00000
     52     -10.2591      1.00000
     53     -10.2505      1.00000
     54     -10.1229      1.00000
     55     -10.0505      1.00000
     56     -10.0428      1.00000
     57      -9.7689      1.00000
     58      -9.7065      1.00000
     59      -9.6812      1.00000
     60      -9.6323      1.00000
     61      -9.6283      1.00000
     62      -9.5885      1.00000
     63      -9.2958      1.00000
     64      -9.2868      1.00000
     65      -9.2546      1.00000
     66      -9.0840      1.00000
     67      -8.8987      1.00000
     68      -8.8848      1.00000
     69      -8.7254      1.00000
     70      -8.5871      1.00000
     71      -8.5155      1.00000
     72      -8.3316      1.00000
     73      -8.3032      1.00000
     74      -8.2660      1.00000
     75      -8.2344      1.00000
     76      -8.1972      1.00000
     77      -8.1882      1.00000
     78      -8.1726      1.00000
     79      -8.0955      1.00000
     80      -7.6886      1.00000
     81      -7.3608      1.00000
     82      -7.3124      1.00000
     83      -7.2673      1.00000
     84      -7.1888      1.00000
     85      -7.1272      1.00000
     86      -7.0775      1.00000
     87      -6.9079      1.00000
     88      -6.8837      1.00000
     89      -6.5515      1.00000
     90      -6.4948      1.00000
     91      -6.2119      1.00000
     92      -6.0690      1.00000
     93      -5.9418      1.00000
     94      -5.7141      1.00000
     95      -5.6339      1.00000
     96      -5.4529      1.00000
     97      -5.3055      1.00000
     98      -5.2355      1.00000
     99      -5.1536      1.00000
    100      -5.1530      1.00000
    101      -4.5206      1.00000
    102      -4.4717      1.00000
    103      -4.1412      1.00000
    104      -3.8301      1.00000
    105      -3.7588      1.00000
    106      -3.6822      1.00000
    107      -1.8735      0.00000
    108      -1.8265      0.00000
    109      -1.2798      0.00000
    110      -1.0386      0.00000
    111      -1.0145      0.00000
    112      -0.7156      0.00000
    113      -0.6425      0.00000
    114      -0.5911      0.00000
    115      -0.5487      0.00000
    116      -0.2094      0.00000
    117       0.2492      0.00000
    118       0.2757      0.00000
    119       0.7649      0.00000
    120       0.9471      0.00000
    121       1.1328      0.00000
    122       1.2283      0.00000
    123       1.3210      0.00000
    124       1.4145      0.00000
    125       1.6084      0.00000
    126       1.6325      0.00000
    127       1.7178      0.00000
    128       1.8245      0.00000
    129       1.9324      0.00000
    130       2.0294      0.00000
    131       2.0891      0.00000
    132       2.3078      0.00000
    133       2.3969      0.00000
    134       2.4463      0.00000
    135       2.5516      0.00000
    136       2.6435      0.00000
    137       2.7378      0.00000
    138       2.8088      0.00000
    139       2.8436      0.00000
    140       2.9022      0.00000
    141       3.0613      0.00000
    142       3.1013      0.00000
    143       3.2040      0.00000
    144       3.2528      0.00000
    145       3.3964      0.00000
    146       3.4300      0.00000
    147       3.5048      0.00000
    148       3.5951      0.00000
    149       3.6172      0.00000
    150       3.6317      0.00000
    151       3.6539      0.00000
    152       3.7447      0.00000
    153       3.7711      0.00000
    154       3.7906      0.00000
    155       3.8031      0.00000
    156       3.9017      0.00000
    157       3.9935      0.00000
    158       4.0181      0.00000
    159       4.1949      0.00000
    160       4.2348      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2481      1.00000
      2     -21.8938      1.00000
      3     -21.8236      1.00000
      4     -21.3119      1.00000
      5     -21.2820      1.00000
      6     -20.7709      1.00000
      7     -20.7052      1.00000
      8     -20.5567      1.00000
      9     -20.0092      1.00000
     10     -20.0021      1.00000
     11     -19.6484      1.00000
     12     -19.6243      1.00000
     13     -18.9300      1.00000
     14     -18.9218      1.00000
     15     -18.5712      1.00000
     16     -18.5576      1.00000
     17     -18.3947      1.00000
     18     -17.6156      1.00000
     19     -17.5598      1.00000
     20     -17.5546      1.00000
     21     -17.5130      1.00000
     22     -17.0566      1.00000
     23     -17.0393      1.00000
     24     -16.8926      1.00000
     25     -15.9308      1.00000
     26     -15.8680      1.00000
     27     -15.5173      1.00000
     28     -15.5163      1.00000
     29     -15.2296      1.00000
     30     -14.7954      1.00000
     31     -14.7683      1.00000
     32     -14.5165      1.00000
     33     -14.4723      1.00000
     34     -14.1031      1.00000
     35     -14.0916      1.00000
     36     -13.0777      1.00000
     37     -13.0337      1.00000
     38     -12.9678      1.00000
     39     -12.9561      1.00000
     40     -12.6464      1.00000
     41     -12.6401      1.00000
     42     -12.2750      1.00000
     43     -12.2436      1.00000
     44     -11.5882      1.00000
     45     -11.5621      1.00000
     46     -11.5077      1.00000
     47     -10.9047      1.00000
     48     -10.8521      1.00000
     49     -10.6194      1.00000
     50     -10.5605      1.00000
     51     -10.4848      1.00000
     52     -10.4348      1.00000
     53     -10.4249      1.00000
     54     -10.3727      1.00000
     55     -10.2950      1.00000
     56     -10.0644      1.00000
     57      -9.8337      1.00000
     58      -9.5495      1.00000
     59      -9.4895      1.00000
     60      -9.4684      1.00000
     61      -9.3478      1.00000
     62      -9.3322      1.00000
     63      -9.3118      1.00000
     64      -9.3095      1.00000
     65      -9.2146      1.00000
     66      -9.1130      1.00000
     67      -9.0826      1.00000
     68      -9.0514      1.00000
     69      -8.8459      1.00000
     70      -8.7946      1.00000
     71      -8.7747      1.00000
     72      -8.5278      1.00000
     73      -8.4741      1.00000
     74      -8.2181      1.00000
     75      -8.1109      1.00000
     76      -8.1011      1.00000
     77      -7.8079      1.00000
     78      -7.7845      1.00000
     79      -7.7828      1.00000
     80      -7.6733      1.00000
     81      -7.6337      1.00000
     82      -7.6318      1.00000
     83      -7.4037      1.00000
     84      -7.3253      1.00000
     85      -7.2063      1.00000
     86      -6.8415      1.00000
     87      -6.8312      1.00000
     88      -6.6597      1.00000
     89      -6.5395      1.00000
     90      -6.3461      1.00000
     91      -6.3079      1.00000
     92      -6.1858      1.00000
     93      -6.1492      1.00000
     94      -5.9787      1.00000
     95      -5.5727      1.00000
     96      -5.4270      1.00000
     97      -5.2602      1.00000
     98      -5.2459      1.00000
     99      -5.1502      1.00000
    100      -4.6964      1.00000
    101      -4.6668      1.00000
    102      -4.3516      1.00000
    103      -4.3130      1.00000
    104      -3.9648      1.00000
    105      -3.8224      1.00000
    106      -3.3926      1.00000
    107      -2.2226      0.00000
    108      -1.3790      0.00000
    109      -1.2893      0.00000
    110      -1.1758      0.00000
    111      -1.0807      0.00000
    112      -0.8963      0.00000
    113      -0.7708      0.00000
    114      -0.7600      0.00000
    115      -0.2261      0.00000
    116       0.1101      0.00000
    117       0.2610      0.00000
    118       0.3431      0.00000
    119       0.7394      0.00000
    120       0.9025      0.00000
    121       0.9700      0.00000
    122       1.0968      0.00000
    123       1.2115      0.00000
    124       1.5336      0.00000
    125       1.5832      0.00000
    126       1.7213      0.00000
    127       1.8363      0.00000
    128       1.8603      0.00000
    129       1.9610      0.00000
    130       2.0211      0.00000
    131       2.1527      0.00000
    132       2.2882      0.00000
    133       2.4391      0.00000
    134       2.4731      0.00000
    135       2.4910      0.00000
    136       2.6635      0.00000
    137       2.6865      0.00000
    138       2.7427      0.00000
    139       2.7613      0.00000
    140       2.9084      0.00000
    141       3.0333      0.00000
    142       3.1006      0.00000
    143       3.1910      0.00000
    144       3.2409      0.00000
    145       3.2657      0.00000
    146       3.2837      0.00000
    147       3.3838      0.00000
    148       3.4963      0.00000
    149       3.5461      0.00000
    150       3.7074      0.00000
    151       3.7633      0.00000
    152       3.7685      0.00000
    153       3.8392      0.00000
    154       3.9010      0.00000
    155       3.9600      0.00000
    156       3.9948      0.00000
    157       4.0120      0.00000
    158       4.0493      0.00000
    159       4.0590      0.00000
    160       4.0926      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1417      1.00000
      2     -22.0475      1.00000
      3     -21.8871      1.00000
      4     -21.3351      1.00000
      5     -20.9820      1.00000
      6     -20.9440      1.00000
      7     -20.4336      1.00000
      8     -20.3915      1.00000
      9     -20.2271      1.00000
     10     -20.2060      1.00000
     11     -19.8895      1.00000
     12     -19.8224      1.00000
     13     -18.8153      1.00000
     14     -18.7449      1.00000
     15     -18.2904      1.00000
     16     -18.2376      1.00000
     17     -18.0867      1.00000
     18     -18.0669      1.00000
     19     -17.7623      1.00000
     20     -17.7204      1.00000
     21     -17.1899      1.00000
     22     -17.1712      1.00000
     23     -17.1010      1.00000
     24     -17.0650      1.00000
     25     -16.0386      1.00000
     26     -15.8236      1.00000
     27     -15.8006      1.00000
     28     -15.7660      1.00000
     29     -15.1752      1.00000
     30     -14.4920      1.00000
     31     -14.4598      1.00000
     32     -14.2194      1.00000
     33     -13.8964      1.00000
     34     -13.8914      1.00000
     35     -13.7574      1.00000
     36     -13.7374      1.00000
     37     -13.5528      1.00000
     38     -13.5047      1.00000
     39     -13.3007      1.00000
     40     -12.5652      1.00000
     41     -12.1262      1.00000
     42     -12.0678      1.00000
     43     -12.0108      1.00000
     44     -11.9528      1.00000
     45     -11.6122      1.00000
     46     -11.5897      1.00000
     47     -11.0862      1.00000
     48     -11.0538      1.00000
     49     -10.7528      1.00000
     50     -10.6655      1.00000
     51     -10.5221      1.00000
     52     -10.1500      1.00000
     53     -10.1398      1.00000
     54     -10.0970      1.00000
     55      -9.9543      1.00000
     56      -9.9484      1.00000
     57      -9.9185      1.00000
     58      -9.7390      1.00000
     59      -9.7329      1.00000
     60      -9.7025      1.00000
     61      -9.6925      1.00000
     62      -9.4277      1.00000
     63      -9.3638      1.00000
     64      -9.0842      1.00000
     65      -9.0082      1.00000
     66      -8.9763      1.00000
     67      -8.8896      1.00000
     68      -8.8121      1.00000
     69      -8.6587      1.00000
     70      -8.6366      1.00000
     71      -8.5762      1.00000
     72      -8.4800      1.00000
     73      -8.4685      1.00000
     74      -8.3996      1.00000
     75      -8.3961      1.00000
     76      -8.1844      1.00000
     77      -8.1123      1.00000
     78      -7.9781      1.00000
     79      -7.9133      1.00000
     80      -7.8485      1.00000
     81      -7.6158      1.00000
     82      -7.5316      1.00000
     83      -7.4711      1.00000
     84      -7.2654      1.00000
     85      -6.9361      1.00000
     86      -6.8602      1.00000
     87      -6.8135      1.00000
     88      -6.5726      1.00000
     89      -6.4685      1.00000
     90      -6.4227      1.00000
     91      -6.3581      1.00000
     92      -6.0508      1.00000
     93      -5.8778      1.00000
     94      -5.7540      1.00000
     95      -5.7229      1.00000
     96      -5.4763      1.00000
     97      -5.3464      1.00000
     98      -5.1815      1.00000
     99      -5.1574      1.00000
    100      -5.1562      1.00000
    101      -4.7077      1.00000
    102      -4.4425      1.00000
    103      -4.2540      1.00000
    104      -3.9957      1.00000
    105      -3.8213      1.00000
    106      -3.1589      1.00000
    107      -2.4656      0.00000
    108      -1.3810      0.00000
    109      -1.2437      0.00000
    110      -1.1488      0.00000
    111      -1.1172      0.00000
    112      -0.5682      0.00000
    113      -0.4375      0.00000
    114      -0.4335      0.00000
    115      -0.3130      0.00000
    116      -0.1937      0.00000
    117       0.0590      0.00000
    118       0.1127      0.00000
    119       0.5373      0.00000
    120       0.6812      0.00000
    121       0.8760      0.00000
    122       0.9733      0.00000
    123       1.1154      0.00000
    124       1.5001      0.00000
    125       1.6728      0.00000
    126       1.8291      0.00000
    127       1.8899      0.00000
    128       2.1106      0.00000
    129       2.1191      0.00000
    130       2.1871      0.00000
    131       2.2151      0.00000
    132       2.3377      0.00000
    133       2.3470      0.00000
    134       2.4857      0.00000
    135       2.5693      0.00000
    136       2.6818      0.00000
    137       2.8855      0.00000
    138       2.9354      0.00000
    139       2.9745      0.00000
    140       3.0233      0.00000
    141       3.0647      0.00000
    142       3.1620      0.00000
    143       3.1670      0.00000
    144       3.2669      0.00000
    145       3.3011      0.00000
    146       3.3391      0.00000
    147       3.3505      0.00000
    148       3.3847      0.00000
    149       3.4225      0.00000
    150       3.5070      0.00000
    151       3.5623      0.00000
    152       3.6382      0.00000
    153       3.6819      0.00000
    154       3.7146      0.00000
    155       3.7250      0.00000
    156       3.9284      0.00000
    157       3.9549      0.00000
    158       4.0713      0.00000
    159       4.1096      0.00000
    160       4.2234      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     -21.8222      1.00000
      4     -21.3165      1.00000
      5     -21.2781      1.00000
      6     -20.7717      1.00000
      7     -20.7034      1.00000
      8     -20.5551      1.00000
      9     -20.0232      1.00000
     10     -19.9913      1.00000
     11     -19.6509      1.00000
     12     -19.6201      1.00000
     13     -18.9439      1.00000
     14     -18.9096      1.00000
     15     -18.5847      1.00000
     16     -18.5476      1.00000
     17     -18.3930      1.00000
     18     -17.6025      1.00000
     19     -17.5716      1.00000
     20     -17.5425      1.00000
     21     -17.5097      1.00000
     22     -17.0753      1.00000
     23     -17.0288      1.00000
     24     -16.9014      1.00000
     25     -15.9467      1.00000
     26     -15.8519      1.00000
     27     -15.5340      1.00000
     28     -15.5077      1.00000
     29     -15.2105      1.00000
     30     -14.8146      1.00000
     31     -14.7627      1.00000
     32     -14.5108      1.00000
     33     -14.4692      1.00000
     34     -14.0974      1.00000
     35     -14.0943      1.00000
     36     -13.1057      1.00000
     37     -13.0306      1.00000
     38     -12.9581      1.00000
     39     -12.9511      1.00000
     40     -12.6569      1.00000
     41     -12.6289      1.00000
     42     -12.2750      1.00000
     43     -12.2481      1.00000
     44     -11.5743      1.00000
     45     -11.5551      1.00000
     46     -11.5017      1.00000
     47     -10.8787      1.00000
     48     -10.8696      1.00000
     49     -10.6794      1.00000
     50     -10.5269      1.00000
     51     -10.5205      1.00000
     52     -10.4348      1.00000
     53     -10.4171      1.00000
     54     -10.3716      1.00000
     55     -10.2893      1.00000
     56     -10.0597      1.00000
     57      -9.8327      1.00000
     58      -9.5594      1.00000
     59      -9.4861      1.00000
     60      -9.4434      1.00000
     61      -9.3571      1.00000
     62      -9.3407      1.00000
     63      -9.3093      1.00000
     64      -9.3037      1.00000
     65      -9.2066      1.00000
     66      -9.1010      1.00000
     67      -9.0703      1.00000
     68      -9.0506      1.00000
     69      -8.8483      1.00000
     70      -8.7983      1.00000
     71      -8.7786      1.00000
     72      -8.5274      1.00000
     73      -8.4949      1.00000
     74      -8.2231      1.00000
     75      -8.1309      1.00000
     76      -8.0944      1.00000
     77      -7.8078      1.00000
     78      -7.7693      1.00000
     79      -7.7406      1.00000
     80      -7.7020      1.00000
     81      -7.6376      1.00000
     82      -7.6262      1.00000
     83      -7.3897      1.00000
     84      -7.3456      1.00000
     85      -7.2253      1.00000
     86      -6.8454      1.00000
     87      -6.8230      1.00000
     88      -6.6384      1.00000
     89      -6.5305      1.00000
     90      -6.3437      1.00000
     91      -6.2736      1.00000
     92      -6.1962      1.00000
     93      -6.1340      1.00000
     94      -6.0208      1.00000
     95      -5.6348      1.00000
     96      -5.5091      1.00000
     97      -5.2990      1.00000
     98      -5.1576      1.00000
     99      -5.0403      1.00000
    100      -4.7258      1.00000
    101      -4.6868      1.00000
    102      -4.3699      1.00000
    103      -4.1846      1.00000
    104      -4.0085      1.00000
    105      -3.8208      1.00000
    106      -3.4866      1.00000
    107      -2.1671      0.00000
    108      -1.3856      0.00000
    109      -1.2382      0.00000
    110      -1.1877      0.00000
    111      -1.0169      0.00000
    112      -0.9584      0.00000
    113      -0.8000      0.00000
    114      -0.7549      0.00000
    115      -0.3723      0.00000
    116       0.2422      0.00000
    117       0.2737      0.00000
    118       0.3608      0.00000
    119       0.7053      0.00000
    120       0.8665      0.00000
    121       0.9631      0.00000
    122       1.1293      0.00000
    123       1.2415      0.00000
    124       1.4574      0.00000
    125       1.5771      0.00000
    126       1.7844      0.00000
    127       1.8490      0.00000
    128       1.8779      0.00000
    129       1.9994      0.00000
    130       2.0382      0.00000
    131       2.1887      0.00000
    132       2.2276      0.00000
    133       2.4170      0.00000
    134       2.4333      0.00000
    135       2.5322      0.00000
    136       2.6569      0.00000
    137       2.6823      0.00000
    138       2.7379      0.00000
    139       2.7880      0.00000
    140       2.8741      0.00000
    141       2.9827      0.00000
    142       3.0995      0.00000
    143       3.1796      0.00000
    144       3.2358      0.00000
    145       3.2651      0.00000
    146       3.3052      0.00000
    147       3.3579      0.00000
    148       3.4963      0.00000
    149       3.5285      0.00000
    150       3.7194      0.00000
    151       3.7338      0.00000
    152       3.7683      0.00000
    153       3.8694      0.00000
    154       3.8795      0.00000
    155       3.9134      0.00000
    156       3.9932      0.00000
    157       4.0089      0.00000
    158       4.0571      0.00000
    159       4.0649      0.00000
    160       4.0957      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3199      1.00000
      2     -21.7617      1.00000
      3     -21.5683      1.00000
      4     -21.5413      1.00000
      5     -21.2053      1.00000
      6     -21.1668      1.00000
      7     -20.9865      1.00000
      8     -20.0991      1.00000
      9     -20.0606      1.00000
     10     -19.5469      1.00000
     11     -19.5270      1.00000
     12     -19.3456      1.00000
     13     -19.0285      1.00000
     14     -18.9890      1.00000
     15     -18.9786      1.00000
     16     -18.9729      1.00000
     17     -18.2968      1.00000
     18     -18.2835      1.00000
     19     -17.9473      1.00000
     20     -17.0012      1.00000
     21     -16.9608      1.00000
     22     -16.8840      1.00000
     23     -16.8711      1.00000
     24     -16.4172      1.00000
     25     -16.3947      1.00000
     26     -15.5417      1.00000
     27     -15.5384      1.00000
     28     -15.1740      1.00000
     29     -15.1725      1.00000
     30     -15.1318      1.00000
     31     -15.0375      1.00000
     32     -15.0024      1.00000
     33     -14.6346      1.00000
     34     -14.6276      1.00000
     35     -13.6640      1.00000
     36     -13.6543      1.00000
     37     -13.1724      1.00000
     38     -12.5739      1.00000
     39     -12.5151      1.00000
     40     -12.3867      1.00000
     41     -12.3863      1.00000
     42     -12.0369      1.00000
     43     -12.0329      1.00000
     44     -11.6559      1.00000
     45     -11.6160      1.00000
     46     -11.2070      1.00000
     47     -11.1590      1.00000
     48     -10.9562      1.00000
     49     -10.9437      1.00000
     50     -10.8615      1.00000
     51     -10.8296      1.00000
     52     -10.6214      1.00000
     53     -10.1466      1.00000
     54     -10.0858      1.00000
     55     -10.0265      1.00000
     56      -9.9449      1.00000
     57      -9.6322      1.00000
     58      -9.6308      1.00000
     59      -9.6037      1.00000
     60      -9.5419      1.00000
     61      -9.5051      1.00000
     62      -9.4803      1.00000
     63      -9.2724      1.00000
     64      -9.2371      1.00000
     65      -9.2078      1.00000
     66      -9.1812      1.00000
     67      -9.0632      1.00000
     68      -9.0487      1.00000
     69      -9.0450      1.00000
     70      -8.8775      1.00000
     71      -8.8103      1.00000
     72      -8.5349      1.00000
     73      -8.5334      1.00000
     74      -8.4945      1.00000
     75      -8.0329      1.00000
     76      -7.8333      1.00000
     77      -7.7979      1.00000
     78      -7.7754      1.00000
     79      -7.7050      1.00000
     80      -7.6865      1.00000
     81      -7.4184      1.00000
     82      -7.2894      1.00000
     83      -7.2539      1.00000
     84      -7.2030      1.00000
     85      -7.0812      1.00000
     86      -7.0796      1.00000
     87      -6.9404      1.00000
     88      -6.7107      1.00000
     89      -6.6749      1.00000
     90      -6.6304      1.00000
     91      -6.5588      1.00000
     92      -6.0732      1.00000
     93      -6.0327      1.00000
     94      -6.0025      1.00000
     95      -5.9394      1.00000
     96      -5.7998      1.00000
     97      -5.1786      1.00000
     98      -4.8938      1.00000
     99      -4.7936      1.00000
    100      -4.6124      1.00000
    101      -4.5140      1.00000
    102      -4.1403      1.00000
    103      -4.0925      1.00000
    104      -3.9332      1.00000
    105      -3.9176      1.00000
    106      -3.8202      1.00000
    107      -1.7542      0.00000
    108      -1.6989      0.00000
    109      -1.4125      0.00000
    110      -1.3737      0.00000
    111      -1.2671      0.00000
    112      -1.2384      0.00000
    113      -0.6294      0.00000
    114      -0.6011      0.00000
    115      -0.1925      0.00000
    116       0.0371      0.00000
    117       0.5880      0.00000
    118       0.7400      0.00000
    119       0.8463      0.00000
    120       0.9264      0.00000
    121       1.1645      0.00000
    122       1.2126      0.00000
    123       1.2466      0.00000
    124       1.4336      0.00000
    125       1.6011      0.00000
    126       1.6485      0.00000
    127       1.7120      0.00000
    128       1.7978      0.00000
    129       1.9176      0.00000
    130       1.9367      0.00000
    131       2.1489      0.00000
    132       2.1820      0.00000
    133       2.2640      0.00000
    134       2.3182      0.00000
    135       2.5590      0.00000
    136       2.5822      0.00000
    137       2.6239      0.00000
    138       2.7675      0.00000
    139       2.8185      0.00000
    140       2.8297      0.00000
    141       2.8911      0.00000
    142       2.9366      0.00000
    143       3.0281      0.00000
    144       3.0470      0.00000
    145       3.1125      0.00000
    146       3.3217      0.00000
    147       3.3507      0.00000
    148       3.4040      0.00000
    149       3.4953      0.00000
    150       3.6097      0.00000
    151       3.6687      0.00000
    152       3.6738      0.00000
    153       3.6872      0.00000
    154       3.9150      0.00000
    155       3.9871      0.00000
    156       4.0324      0.00000
    157       4.0870      0.00000
    158       4.2651      0.00000
    159       4.2677      0.00000
    160       4.2743      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1408      1.00000
      2     -22.0488      1.00000
      3     -21.8867      1.00000
      4     -21.3360      1.00000
      5     -20.9771      1.00000
      6     -20.9480      1.00000
      7     -20.4284      1.00000
      8     -20.3968      1.00000
      9     -20.2167      1.00000
     10     -20.2150      1.00000
     11     -19.8885      1.00000
     12     -19.8249      1.00000
     13     -18.8184      1.00000
     14     -18.7479      1.00000
     15     -18.2665      1.00000
     16     -18.2527      1.00000
     17     -18.0813      1.00000
     18     -18.0748      1.00000
     19     -17.7468      1.00000
     20     -17.7313      1.00000
     21     -17.1961      1.00000
     22     -17.1730      1.00000
     23     -17.0901      1.00000
     24     -17.0692      1.00000
     25     -16.0547      1.00000
     26     -15.8094      1.00000
     27     -15.7999      1.00000
     28     -15.7792      1.00000
     29     -15.1607      1.00000
     30     -14.4867      1.00000
     31     -14.4655      1.00000
     32     -14.2058      1.00000
     33     -13.9177      1.00000
     34     -13.8879      1.00000
     35     -13.7609      1.00000
     36     -13.7402      1.00000
     37     -13.5375      1.00000
     38     -13.5119      1.00000
     39     -13.3022      1.00000
     40     -12.5775      1.00000
     41     -12.1026      1.00000
     42     -12.0787      1.00000
     43     -11.9997      1.00000
     44     -11.9520      1.00000
     45     -11.6070      1.00000
     46     -11.5996      1.00000
     47     -11.0855      1.00000
     48     -11.0630      1.00000
     49     -10.7330      1.00000
     50     -10.6659      1.00000
     51     -10.5538      1.00000
     52     -10.1412      1.00000
     53     -10.1366      1.00000
     54     -10.1014      1.00000
     55      -9.9674      1.00000
     56      -9.9269      1.00000
     57      -9.9224      1.00000
     58      -9.7519      1.00000
     59      -9.7309      1.00000
     60      -9.6993      1.00000
     61      -9.6968      1.00000
     62      -9.3992      1.00000
     63      -9.3907      1.00000
     64      -9.0677      1.00000
     65      -8.9832      1.00000
     66      -8.9829      1.00000
     67      -8.9074      1.00000
     68      -8.8128      1.00000
     69      -8.6507      1.00000
     70      -8.6357      1.00000
     71      -8.5445      1.00000
     72      -8.5034      1.00000
     73      -8.4843      1.00000
     74      -8.3964      1.00000
     75      -8.3842      1.00000
     76      -8.2097      1.00000
     77      -8.1005      1.00000
     78      -8.0077      1.00000
     79      -7.9015      1.00000
     80      -7.8437      1.00000
     81      -7.6212      1.00000
     82      -7.5346      1.00000
     83      -7.4585      1.00000
     84      -7.2614      1.00000
     85      -6.9446      1.00000
     86      -6.8712      1.00000
     87      -6.8126      1.00000
     88      -6.4792      1.00000
     89      -6.4706      1.00000
     90      -6.4117      1.00000
     91      -6.3608      1.00000
     92      -6.1851      1.00000
     93      -5.8592      1.00000
     94      -5.7391      1.00000
     95      -5.7126      1.00000
     96      -5.5220      1.00000
     97      -5.3301      1.00000
     98      -5.1737      1.00000
     99      -5.1692      1.00000
    100      -5.1355      1.00000
    101      -4.6971      1.00000
    102      -4.3509      1.00000
    103      -4.2782      1.00000
    104      -4.0280      1.00000
    105      -3.8222      1.00000
    106      -3.2354      1.00000
    107      -2.4081      0.00000
    108      -1.3476      0.00000
    109      -1.2462      0.00000
    110      -1.1562      0.00000
    111      -1.1110      0.00000
    112      -0.5874      0.00000
    113      -0.5246      0.00000
    114      -0.4365      0.00000
    115      -0.2774      0.00000
    116      -0.0756      0.00000
    117      -0.0149      0.00000
    118       0.0571      0.00000
    119       0.5813      0.00000
    120       0.7074      0.00000
    121       0.8145      0.00000
    122       0.9478      0.00000
    123       1.1883      0.00000
    124       1.5231      0.00000
    125       1.6267      0.00000
    126       1.8790      0.00000
    127       2.0181      0.00000
    128       2.0591      0.00000
    129       2.1259      0.00000
    130       2.1330      0.00000
    131       2.2470      0.00000
    132       2.2839      0.00000
    133       2.3426      0.00000
    134       2.4449      0.00000
    135       2.6111      0.00000
    136       2.7098      0.00000
    137       2.8399      0.00000
    138       2.9118      0.00000
    139       2.9424      0.00000
    140       3.0427      0.00000
    141       3.0708      0.00000
    142       3.1526      0.00000
    143       3.1687      0.00000
    144       3.2425      0.00000
    145       3.3045      0.00000
    146       3.3219      0.00000
    147       3.3572      0.00000
    148       3.3772      0.00000
    149       3.4299      0.00000
    150       3.4567      0.00000
    151       3.5701      0.00000
    152       3.6186      0.00000
    153       3.6865      0.00000
    154       3.7203      0.00000
    155       3.8622      0.00000
    156       3.9194      0.00000
    157       3.9403      0.00000
    158       3.9718      0.00000
    159       4.1707      0.00000
    160       4.2004      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2138      1.00000
      2     -22.0089      1.00000
      3     -21.6469      1.00000
      4     -21.6158      1.00000
      5     -20.9103      1.00000
      6     -20.8700      1.00000
      7     -20.5398      1.00000
      8     -20.5075      1.00000
      9     -20.5008      1.00000
     10     -19.9633      1.00000
     11     -19.4417      1.00000
     12     -19.4200      1.00000
     13     -19.2410      1.00000
     14     -19.2339      1.00000
     15     -18.3770      1.00000
     16     -18.3423      1.00000
     17     -17.8600      1.00000
     18     -17.8440      1.00000
     19     -17.6923      1.00000
     20     -17.6567      1.00000
     21     -17.3736      1.00000
     22     -17.3594      1.00000
     23     -17.2687      1.00000
     24     -16.4147      1.00000
     25     -16.3914      1.00000
     26     -15.9058      1.00000
     27     -15.3447      1.00000
     28     -15.3398      1.00000
     29     -15.0323      1.00000
     30     -15.0227      1.00000
     31     -14.7779      1.00000
     32     -14.7758      1.00000
     33     -14.2388      1.00000
     34     -14.1887      1.00000
     35     -13.3888      1.00000
     36     -13.3352      1.00000
     37     -13.1126      1.00000
     38     -13.1046      1.00000
     39     -12.9189      1.00000
     40     -12.9133      1.00000
     41     -12.5470      1.00000
     42     -12.5394      1.00000
     43     -12.1351      1.00000
     44     -11.5148      1.00000
     45     -11.4709      1.00000
     46     -11.2459      1.00000
     47     -11.2147      1.00000
     48     -11.0878      1.00000
     49     -10.7032      1.00000
     50     -10.5975      1.00000
     51     -10.5081      1.00000
     52     -10.2531      1.00000
     53     -10.2489      1.00000
     54     -10.1216      1.00000
     55     -10.0560      1.00000
     56     -10.0407      1.00000
     57      -9.7846      1.00000
     58      -9.6886      1.00000
     59      -9.6748      1.00000
     60      -9.6395      1.00000
     61      -9.6299      1.00000
     62      -9.5867      1.00000
     63      -9.2971      1.00000
     64      -9.2854      1.00000
     65      -9.2548      1.00000
     66      -9.0608      1.00000
     67      -8.8966      1.00000
     68      -8.8854      1.00000
     69      -8.7195      1.00000
     70      -8.5784      1.00000
     71      -8.5280      1.00000
     72      -8.3510      1.00000
     73      -8.3059      1.00000
     74      -8.2450      1.00000
     75      -8.2395      1.00000
     76      -8.1967      1.00000
     77      -8.1837      1.00000
     78      -8.1716      1.00000
     79      -8.1026      1.00000
     80      -7.6895      1.00000
     81      -7.4233      1.00000
     82      -7.3450      1.00000
     83      -7.2617      1.00000
     84      -7.1709      1.00000
     85      -7.1107      1.00000
     86      -7.0070      1.00000
     87      -6.9049      1.00000
     88      -6.8503      1.00000
     89      -6.5442      1.00000
     90      -6.5009      1.00000
     91      -6.2079      1.00000
     92      -6.2039      1.00000
     93      -5.8957      1.00000
     94      -5.6737      1.00000
     95      -5.6072      1.00000
     96      -5.5814      1.00000
     97      -5.2549      1.00000
     98      -5.2322      1.00000
     99      -5.1665      1.00000
    100      -5.1362      1.00000
    101      -4.6005      1.00000
    102      -4.2487      1.00000
    103      -4.0443      1.00000
    104      -3.8864      1.00000
    105      -3.8378      1.00000
    106      -3.8002      1.00000
    107      -1.8105      0.00000
    108      -1.7837      0.00000
    109      -1.2278      0.00000
    110      -1.1779      0.00000
    111      -0.9766      0.00000
    112      -0.7374      0.00000
    113      -0.6528      0.00000
    114      -0.5965      0.00000
    115      -0.5523      0.00000
    116      -0.1600      0.00000
    117       0.1733      0.00000
    118       0.2851      0.00000
    119       0.7108      0.00000
    120       0.9532      0.00000
    121       1.1679      0.00000
    122       1.2749      0.00000
    123       1.3512      0.00000
    124       1.5196      0.00000
    125       1.6125      0.00000
    126       1.6330      0.00000
    127       1.6915      0.00000
    128       1.7818      0.00000
    129       1.8744      0.00000
    130       2.0611      0.00000
    131       2.1719      0.00000
    132       2.3019      0.00000
    133       2.4140      0.00000
    134       2.4223      0.00000
    135       2.5699      0.00000
    136       2.6342      0.00000
    137       2.6952      0.00000
    138       2.7285      0.00000
    139       2.8051      0.00000
    140       2.9223      0.00000
    141       3.0685      0.00000
    142       3.0723      0.00000
    143       3.2031      0.00000
    144       3.2903      0.00000
    145       3.3983      0.00000
    146       3.4227      0.00000
    147       3.4672      0.00000
    148       3.5591      0.00000
    149       3.5988      0.00000
    150       3.6395      0.00000
    151       3.6739      0.00000
    152       3.6988      0.00000
    153       3.7855      0.00000
    154       3.7862      0.00000
    155       3.8369      0.00000
    156       3.9119      0.00000
    157       3.9163      0.00000
    158       3.9853      0.00000
    159       4.2046      0.00000
    160       4.2420      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     -21.5360      1.00000
      3     -21.4075      1.00000
      4     -21.4068      1.00000
      5     -21.3754      1.00000
      6     -21.3666      1.00000
      7     -21.3592      1.00000
      8     -19.6459      1.00000
      9     -19.5729      1.00000
     10     -19.5659      1.00000
     11     -19.5594      1.00000
     12     -19.5411      1.00000
     13     -19.5384      1.00000
     14     -18.7284      1.00000
     15     -18.6803      1.00000
     16     -18.6730      1.00000
     17     -18.6596      1.00000
     18     -18.6443      1.00000
     19     -18.6427      1.00000
     20     -16.5868      1.00000
     21     -16.5277      1.00000
     22     -16.5253      1.00000
     23     -16.5127      1.00000
     24     -16.4882      1.00000
     25     -16.4865      1.00000
     26     -15.5591      1.00000
     27     -15.5270      1.00000
     28     -15.5264      1.00000
     29     -15.5007      1.00000
     30     -15.4960      1.00000
     31     -15.4902      1.00000
     32     -14.2071      1.00000
     33     -14.1814      1.00000
     34     -14.1686      1.00000
     35     -14.1663      1.00000
     36     -14.1612      1.00000
     37     -14.1502      1.00000
     38     -11.8839      1.00000
     39     -11.8095      1.00000
     40     -11.7938      1.00000
     41     -11.7935      1.00000
     42     -11.7905      1.00000
     43     -11.7847      1.00000
     44     -11.7059      1.00000
     45     -11.6995      1.00000
     46     -11.6738      1.00000
     47     -11.6591      1.00000
     48     -11.6590      1.00000
     49     -11.6519      1.00000
     50     -10.6698      1.00000
     51     -10.3302      1.00000
     52     -10.3222      1.00000
     53     -10.3067      1.00000
     54     -10.3055      1.00000
     55     -10.2924      1.00000
     56     -10.2795      1.00000
     57      -9.9226      1.00000
     58      -9.3728      1.00000
     59      -9.3600      1.00000
     60      -9.3009      1.00000
     61      -9.2929      1.00000
     62      -9.2861      1.00000
     63      -9.0928      1.00000
     64      -9.0561      1.00000
     65      -9.0509      1.00000
     66      -9.0283      1.00000
     67      -9.0087      1.00000
     68      -9.0038      1.00000
     69      -9.0023      1.00000
     70      -8.9967      1.00000
     71      -8.9936      1.00000
     72      -8.9744      1.00000
     73      -8.9669      1.00000
     74      -8.9561      1.00000
     75      -8.4860      1.00000
     76      -7.5170      1.00000
     77      -7.4123      1.00000
     78      -7.4121      1.00000
     79      -7.3979      1.00000
     80      -7.3857      1.00000
     81      -7.3661      1.00000
     82      -7.3436      1.00000
     83      -7.3129      1.00000
     84      -7.2670      1.00000
     85      -7.2072      1.00000
     86      -7.1810      1.00000
     87      -7.1809      1.00000
     88      -7.0808      1.00000
     89      -6.5074      1.00000
     90      -6.4614      1.00000
     91      -6.3557      1.00000
     92      -6.2954      1.00000
     93      -6.2892      1.00000
     94      -6.2880      1.00000
     95      -5.8994      1.00000
     96      -5.8871      1.00000
     97      -5.0413      1.00000
     98      -4.9365      1.00000
     99      -4.5370      1.00000
    100      -4.3426      1.00000
    101      -4.3198      1.00000
    102      -4.3188      1.00000
    103      -4.1189      1.00000
    104      -3.9137      1.00000
    105      -3.9032      1.00000
    106      -3.8259      1.00000
    107      -1.6837      0.00000
    108      -1.6702      0.00000
    109      -1.5392      0.00000
    110      -1.5376      0.00000
    111      -1.5257      0.00000
    112      -1.5118      0.00000
    113      -0.5922      0.00000
    114       0.1306      0.00000
    115       0.2041      0.00000
    116       0.3220      0.00000
    117       0.3237      0.00000
    118       0.3311      0.00000
    119       0.4909      0.00000
    120       0.6027      0.00000
    121       1.2586      0.00000
    122       1.2835      0.00000
    123       1.5377      0.00000
    124       1.7772      0.00000
    125       1.8105      0.00000
    126       1.8139      0.00000
    127       1.8193      0.00000
    128       1.9440      0.00000
    129       1.9864      0.00000
    130       2.0285      0.00000
    131       2.0422      0.00000
    132       2.0473      0.00000
    133       2.0535      0.00000
    134       2.0618      0.00000
    135       2.3185      0.00000
    136       2.3194      0.00000
    137       2.6377      0.00000
    138       2.6455      0.00000
    139       2.6771      0.00000
    140       2.7526      0.00000
    141       2.8804      0.00000
    142       3.0164      0.00000
    143       3.0388      0.00000
    144       3.0689      0.00000
    145       3.0734      0.00000
    146       3.0734      0.00000
    147       3.1045      0.00000
    148       3.2496      0.00000
    149       3.4474      0.00000
    150       3.5569      0.00000
    151       3.7888      0.00000
    152       3.9539      0.00000
    153       3.9827      0.00000
    154       3.9874      0.00000
    155       3.9935      0.00000
    156       4.0106      0.00000
    157       4.1952      0.00000
    158       4.2744      0.00000
    159       4.2902      0.00000
    160       4.2915      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3200      1.00000
      2     -21.7614      1.00000
      3     -21.5709      1.00000
      4     -21.5384      1.00000
      5     -21.2080      1.00000
      6     -21.1635      1.00000
      7     -20.9878      1.00000
      8     -20.1021      1.00000
      9     -20.0584      1.00000
     10     -19.5467      1.00000
     11     -19.5224      1.00000
     12     -19.3498      1.00000
     13     -19.0252      1.00000
     14     -18.9903      1.00000
     15     -18.9823      1.00000
     16     -18.9701      1.00000
     17     -18.2982      1.00000
     18     -18.2790      1.00000
     19     -17.9530      1.00000
     20     -17.0105      1.00000
     21     -16.9609      1.00000
     22     -16.8798      1.00000
     23     -16.8700      1.00000
     24     -16.4060      1.00000
     25     -16.3913      1.00000
     26     -15.5527      1.00000
     27     -15.5367      1.00000
     28     -15.1987      1.00000
     29     -15.1703      1.00000
     30     -15.1157      1.00000
     31     -15.0287      1.00000
     32     -15.0042      1.00000
     33     -14.6373      1.00000
     34     -14.6256      1.00000
     35     -13.6685      1.00000
     36     -13.6533      1.00000
     37     -13.1709      1.00000
     38     -12.5522      1.00000
     39     -12.5194      1.00000
     40     -12.3920      1.00000
     41     -12.3790      1.00000
     42     -12.0586      1.00000
     43     -12.0360      1.00000
     44     -11.6600      1.00000
     45     -11.6184      1.00000
     46     -11.1819      1.00000
     47     -11.1585      1.00000
     48     -10.9657      1.00000
     49     -10.9421      1.00000
     50     -10.8743      1.00000
     51     -10.8385      1.00000
     52     -10.5998      1.00000
     53     -10.0941      1.00000
     54     -10.0898      1.00000
     55     -10.0461      1.00000
     56      -9.9704      1.00000
     57      -9.6550      1.00000
     58      -9.6307      1.00000
     59      -9.5926      1.00000
     60      -9.5307      1.00000
     61      -9.5122      1.00000
     62      -9.4803      1.00000
     63      -9.2644      1.00000
     64      -9.2428      1.00000
     65      -9.2218      1.00000
     66      -9.1678      1.00000
     67      -9.0693      1.00000
     68      -9.0483      1.00000
     69      -9.0425      1.00000
     70      -8.8829      1.00000
     71      -8.8078      1.00000
     72      -8.5759      1.00000
     73      -8.5241      1.00000
     74      -8.4540      1.00000
     75      -8.0371      1.00000
     76      -7.8104      1.00000
     77      -7.8075      1.00000
     78      -7.7938      1.00000
     79      -7.7018      1.00000
     80      -7.6927      1.00000
     81      -7.3682      1.00000
     82      -7.2747      1.00000
     83      -7.2664      1.00000
     84      -7.2181      1.00000
     85      -7.1735      1.00000
     86      -7.0101      1.00000
     87      -6.9494      1.00000
     88      -6.7460      1.00000
     89      -6.6729      1.00000
     90      -6.5958      1.00000
     91      -6.5607      1.00000
     92      -6.0524      1.00000
     93      -6.0473      1.00000
     94      -6.0229      1.00000
     95      -5.9609      1.00000
     96      -5.7375      1.00000
     97      -5.1518      1.00000
     98      -4.9891      1.00000
     99      -4.7189      1.00000
    100      -4.6126      1.00000
    101      -4.4403      1.00000
    102      -4.3747      1.00000
    103      -4.1229      1.00000
    104      -3.8698      1.00000
    105      -3.8272      1.00000
    106      -3.7920      1.00000
    107      -1.7876      0.00000
    108      -1.7410      0.00000
    109      -1.3970      0.00000
    110      -1.3486      0.00000
    111      -1.2673      0.00000
    112      -1.2286      0.00000
    113      -0.7491      0.00000
    114      -0.3835      0.00000
    115      -0.2231      0.00000
    116      -0.0236      0.00000
    117       0.5924      0.00000
    118       0.7371      0.00000
    119       0.7623      0.00000
    120       1.0478      0.00000
    121       1.1387      0.00000
    122       1.2489      0.00000
    123       1.2756      0.00000
    124       1.4203      0.00000
    125       1.4855      0.00000
    126       1.5969      0.00000
    127       1.7561      0.00000
    128       1.8401      0.00000
    129       1.8925      0.00000
    130       1.9586      0.00000
    131       2.1003      0.00000
    132       2.2502      0.00000
    133       2.2555      0.00000
    134       2.3145      0.00000
    135       2.4988      0.00000
    136       2.6168      0.00000
    137       2.6439      0.00000
    138       2.7800      0.00000
    139       2.8117      0.00000
    140       2.8415      0.00000
    141       2.8676      0.00000
    142       2.8884      0.00000
    143       2.9529      0.00000
    144       3.1078      0.00000
    145       3.2966      0.00000
    146       3.3170      0.00000
    147       3.3646      0.00000
    148       3.3890      0.00000
    149       3.4816      0.00000
    150       3.5954      0.00000
    151       3.6360      0.00000
    152       3.6881      0.00000
    153       3.7232      0.00000
    154       3.9279      0.00000
    155       3.9443      0.00000
    156       3.9925      0.00000
    157       4.0901      0.00000
    158       4.2167      0.00000
    159       4.2718      0.00000
    160       4.3067      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2142      1.00000
      2     -22.0083      1.00000
      3     -21.6495      1.00000
      4     -21.6128      1.00000
      5     -20.9132      1.00000
      6     -20.8673      1.00000
      7     -20.5460      1.00000
      8     -20.5070      1.00000
      9     -20.4967      1.00000
     10     -19.9643      1.00000
     11     -19.4429      1.00000
     12     -19.4161      1.00000
     13     -19.2424      1.00000
     14     -19.2281      1.00000
     15     -18.3848      1.00000
     16     -18.3409      1.00000
     17     -17.8609      1.00000
     18     -17.8401      1.00000
     19     -17.6988      1.00000
     20     -17.6565      1.00000
     21     -17.3731      1.00000
     22     -17.3572      1.00000
     23     -17.2757      1.00000
     24     -16.4024      1.00000
     25     -16.3877      1.00000
     26     -15.8973      1.00000
     27     -15.3534      1.00000
     28     -15.3382      1.00000
     29     -15.0357      1.00000
     30     -15.0220      1.00000
     31     -14.8010      1.00000
     32     -14.7764      1.00000
     33     -14.2230      1.00000
     34     -14.1914      1.00000
     35     -13.3722      1.00000
     36     -13.3389      1.00000
     37     -13.1211      1.00000
     38     -13.1038      1.00000
     39     -12.9170      1.00000
     40     -12.9037      1.00000
     41     -12.5581      1.00000
     42     -12.5403      1.00000
     43     -12.1346      1.00000
     44     -11.5225      1.00000
     45     -11.4752      1.00000
     46     -11.2546      1.00000
     47     -11.2212      1.00000
     48     -11.0811      1.00000
     49     -10.6576      1.00000
     50     -10.5905      1.00000
     51     -10.5219      1.00000
     52     -10.2591      1.00000
     53     -10.2505      1.00000
     54     -10.1229      1.00000
     55     -10.0505      1.00000
     56     -10.0428      1.00000
     57      -9.7689      1.00000
     58      -9.7065      1.00000
     59      -9.6812      1.00000
     60      -9.6323      1.00000
     61      -9.6283      1.00000
     62      -9.5885      1.00000
     63      -9.2958      1.00000
     64      -9.2868      1.00000
     65      -9.2546      1.00000
     66      -9.0840      1.00000
     67      -8.8987      1.00000
     68      -8.8848      1.00000
     69      -8.7254      1.00000
     70      -8.5871      1.00000
     71      -8.5155      1.00000
     72      -8.3316      1.00000
     73      -8.3032      1.00000
     74      -8.2660      1.00000
     75      -8.2344      1.00000
     76      -8.1972      1.00000
     77      -8.1882      1.00000
     78      -8.1726      1.00000
     79      -8.0955      1.00000
     80      -7.6886      1.00000
     81      -7.3608      1.00000
     82      -7.3124      1.00000
     83      -7.2673      1.00000
     84      -7.1888      1.00000
     85      -7.1272      1.00000
     86      -7.0775      1.00000
     87      -6.9079      1.00000
     88      -6.8837      1.00000
     89      -6.5515      1.00000
     90      -6.4948      1.00000
     91      -6.2119      1.00000
     92      -6.0690      1.00000
     93      -5.9418      1.00000
     94      -5.7141      1.00000
     95      -5.6339      1.00000
     96      -5.4529      1.00000
     97      -5.3055      1.00000
     98      -5.2355      1.00000
     99      -5.1536      1.00000
    100      -5.1530      1.00000
    101      -4.5206      1.00000
    102      -4.4717      1.00000
    103      -4.1412      1.00000
    104      -3.8301      1.00000
    105      -3.7588      1.00000
    106      -3.6822      1.00000
    107      -1.8735      0.00000
    108      -1.8265      0.00000
    109      -1.2798      0.00000
    110      -1.0386      0.00000
    111      -1.0145      0.00000
    112      -0.7156      0.00000
    113      -0.6425      0.00000
    114      -0.5911      0.00000
    115      -0.5487      0.00000
    116      -0.2094      0.00000
    117       0.2492      0.00000
    118       0.2757      0.00000
    119       0.7649      0.00000
    120       0.9471      0.00000
    121       1.1328      0.00000
    122       1.2283      0.00000
    123       1.3210      0.00000
    124       1.4145      0.00000
    125       1.6084      0.00000
    126       1.6325      0.00000
    127       1.7178      0.00000
    128       1.8245      0.00000
    129       1.9324      0.00000
    130       2.0294      0.00000
    131       2.0891      0.00000
    132       2.3078      0.00000
    133       2.3969      0.00000
    134       2.4463      0.00000
    135       2.5516      0.00000
    136       2.6435      0.00000
    137       2.7378      0.00000
    138       2.8088      0.00000
    139       2.8436      0.00000
    140       2.9022      0.00000
    141       3.0613      0.00000
    142       3.1013      0.00000
    143       3.2040      0.00000
    144       3.2528      0.00000
    145       3.3964      0.00000
    146       3.4300      0.00000
    147       3.5048      0.00000
    148       3.5951      0.00000
    149       3.6172      0.00000
    150       3.6317      0.00000
    151       3.6539      0.00000
    152       3.7447      0.00000
    153       3.7711      0.00000
    154       3.7906      0.00000
    155       3.8031      0.00000
    156       3.9017      0.00000
    157       3.9935      0.00000
    158       4.0181      0.00000
    159       4.1949      0.00000
    160       4.2348      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2481      1.00000
      2     -21.8938      1.00000
      3     -21.8236      1.00000
      4     -21.3119      1.00000
      5     -21.2820      1.00000
      6     -20.7709      1.00000
      7     -20.7052      1.00000
      8     -20.5567      1.00000
      9     -20.0092      1.00000
     10     -20.0021      1.00000
     11     -19.6484      1.00000
     12     -19.6243      1.00000
     13     -18.9300      1.00000
     14     -18.9218      1.00000
     15     -18.5712      1.00000
     16     -18.5576      1.00000
     17     -18.3947      1.00000
     18     -17.6156      1.00000
     19     -17.5598      1.00000
     20     -17.5546      1.00000
     21     -17.5130      1.00000
     22     -17.0566      1.00000
     23     -17.0393      1.00000
     24     -16.8926      1.00000
     25     -15.9308      1.00000
     26     -15.8680      1.00000
     27     -15.5173      1.00000
     28     -15.5163      1.00000
     29     -15.2296      1.00000
     30     -14.7954      1.00000
     31     -14.7683      1.00000
     32     -14.5165      1.00000
     33     -14.4723      1.00000
     34     -14.1031      1.00000
     35     -14.0916      1.00000
     36     -13.0777      1.00000
     37     -13.0337      1.00000
     38     -12.9678      1.00000
     39     -12.9561      1.00000
     40     -12.6464      1.00000
     41     -12.6401      1.00000
     42     -12.2750      1.00000
     43     -12.2436      1.00000
     44     -11.5882      1.00000
     45     -11.5621      1.00000
     46     -11.5077      1.00000
     47     -10.9047      1.00000
     48     -10.8521      1.00000
     49     -10.6194      1.00000
     50     -10.5605      1.00000
     51     -10.4848      1.00000
     52     -10.4348      1.00000
     53     -10.4249      1.00000
     54     -10.3727      1.00000
     55     -10.2950      1.00000
     56     -10.0644      1.00000
     57      -9.8337      1.00000
     58      -9.5495      1.00000
     59      -9.4895      1.00000
     60      -9.4684      1.00000
     61      -9.3478      1.00000
     62      -9.3322      1.00000
     63      -9.3118      1.00000
     64      -9.3095      1.00000
     65      -9.2146      1.00000
     66      -9.1130      1.00000
     67      -9.0826      1.00000
     68      -9.0514      1.00000
     69      -8.8459      1.00000
     70      -8.7946      1.00000
     71      -8.7747      1.00000
     72      -8.5278      1.00000
     73      -8.4741      1.00000
     74      -8.2181      1.00000
     75      -8.1109      1.00000
     76      -8.1011      1.00000
     77      -7.8079      1.00000
     78      -7.7845      1.00000
     79      -7.7828      1.00000
     80      -7.6733      1.00000
     81      -7.6337      1.00000
     82      -7.6318      1.00000
     83      -7.4037      1.00000
     84      -7.3253      1.00000
     85      -7.2063      1.00000
     86      -6.8415      1.00000
     87      -6.8312      1.00000
     88      -6.6597      1.00000
     89      -6.5395      1.00000
     90      -6.3461      1.00000
     91      -6.3079      1.00000
     92      -6.1858      1.00000
     93      -6.1492      1.00000
     94      -5.9787      1.00000
     95      -5.5727      1.00000
     96      -5.4270      1.00000
     97      -5.2602      1.00000
     98      -5.2459      1.00000
     99      -5.1502      1.00000
    100      -4.6964      1.00000
    101      -4.6668      1.00000
    102      -4.3516      1.00000
    103      -4.3130      1.00000
    104      -3.9648      1.00000
    105      -3.8224      1.00000
    106      -3.3926      1.00000
    107      -2.2226      0.00000
    108      -1.3790      0.00000
    109      -1.2893      0.00000
    110      -1.1758      0.00000
    111      -1.0807      0.00000
    112      -0.8963      0.00000
    113      -0.7708      0.00000
    114      -0.7600      0.00000
    115      -0.2261      0.00000
    116       0.1101      0.00000
    117       0.2610      0.00000
    118       0.3431      0.00000
    119       0.7394      0.00000
    120       0.9025      0.00000
    121       0.9700      0.00000
    122       1.0968      0.00000
    123       1.2115      0.00000
    124       1.5336      0.00000
    125       1.5832      0.00000
    126       1.7213      0.00000
    127       1.8363      0.00000
    128       1.8603      0.00000
    129       1.9610      0.00000
    130       2.0211      0.00000
    131       2.1527      0.00000
    132       2.2882      0.00000
    133       2.4391      0.00000
    134       2.4731      0.00000
    135       2.4910      0.00000
    136       2.6635      0.00000
    137       2.6865      0.00000
    138       2.7427      0.00000
    139       2.7613      0.00000
    140       2.9084      0.00000
    141       3.0333      0.00000
    142       3.1006      0.00000
    143       3.1910      0.00000
    144       3.2409      0.00000
    145       3.2657      0.00000
    146       3.2837      0.00000
    147       3.3838      0.00000
    148       3.4963      0.00000
    149       3.5461      0.00000
    150       3.7074      0.00000
    151       3.7633      0.00000
    152       3.7685      0.00000
    153       3.8392      0.00000
    154       3.9010      0.00000
    155       3.9600      0.00000
    156       3.9948      0.00000
    157       4.0120      0.00000
    158       4.0493      0.00000
    159       4.0590      0.00000
    160       4.0923      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1417      1.00000
      2     -22.0475      1.00000
      3     -21.8871      1.00000
      4     -21.3351      1.00000
      5     -20.9820      1.00000
      6     -20.9440      1.00000
      7     -20.4336      1.00000
      8     -20.3915      1.00000
      9     -20.2271      1.00000
     10     -20.2060      1.00000
     11     -19.8895      1.00000
     12     -19.8224      1.00000
     13     -18.8153      1.00000
     14     -18.7449      1.00000
     15     -18.2904      1.00000
     16     -18.2376      1.00000
     17     -18.0867      1.00000
     18     -18.0669      1.00000
     19     -17.7623      1.00000
     20     -17.7204      1.00000
     21     -17.1899      1.00000
     22     -17.1712      1.00000
     23     -17.1010      1.00000
     24     -17.0650      1.00000
     25     -16.0386      1.00000
     26     -15.8236      1.00000
     27     -15.8006      1.00000
     28     -15.7660      1.00000
     29     -15.1752      1.00000
     30     -14.4920      1.00000
     31     -14.4598      1.00000
     32     -14.2194      1.00000
     33     -13.8964      1.00000
     34     -13.8914      1.00000
     35     -13.7574      1.00000
     36     -13.7374      1.00000
     37     -13.5528      1.00000
     38     -13.5047      1.00000
     39     -13.3007      1.00000
     40     -12.5652      1.00000
     41     -12.1262      1.00000
     42     -12.0678      1.00000
     43     -12.0108      1.00000
     44     -11.9528      1.00000
     45     -11.6122      1.00000
     46     -11.5897      1.00000
     47     -11.0862      1.00000
     48     -11.0538      1.00000
     49     -10.7528      1.00000
     50     -10.6655      1.00000
     51     -10.5221      1.00000
     52     -10.1500      1.00000
     53     -10.1398      1.00000
     54     -10.0970      1.00000
     55      -9.9543      1.00000
     56      -9.9484      1.00000
     57      -9.9185      1.00000
     58      -9.7390      1.00000
     59      -9.7329      1.00000
     60      -9.7025      1.00000
     61      -9.6925      1.00000
     62      -9.4277      1.00000
     63      -9.3638      1.00000
     64      -9.0842      1.00000
     65      -9.0082      1.00000
     66      -8.9763      1.00000
     67      -8.8896      1.00000
     68      -8.8121      1.00000
     69      -8.6587      1.00000
     70      -8.6366      1.00000
     71      -8.5762      1.00000
     72      -8.4800      1.00000
     73      -8.4685      1.00000
     74      -8.3996      1.00000
     75      -8.3961      1.00000
     76      -8.1844      1.00000
     77      -8.1123      1.00000
     78      -7.9781      1.00000
     79      -7.9133      1.00000
     80      -7.8485      1.00000
     81      -7.6158      1.00000
     82      -7.5316      1.00000
     83      -7.4711      1.00000
     84      -7.2654      1.00000
     85      -6.9361      1.00000
     86      -6.8602      1.00000
     87      -6.8135      1.00000
     88      -6.5726      1.00000
     89      -6.4685      1.00000
     90      -6.4227      1.00000
     91      -6.3581      1.00000
     92      -6.0508      1.00000
     93      -5.8778      1.00000
     94      -5.7540      1.00000
     95      -5.7229      1.00000
     96      -5.4763      1.00000
     97      -5.3464      1.00000
     98      -5.1815      1.00000
     99      -5.1574      1.00000
    100      -5.1562      1.00000
    101      -4.7077      1.00000
    102      -4.4425      1.00000
    103      -4.2540      1.00000
    104      -3.9957      1.00000
    105      -3.8213      1.00000
    106      -3.1589      1.00000
    107      -2.4656      0.00000
    108      -1.3810      0.00000
    109      -1.2437      0.00000
    110      -1.1488      0.00000
    111      -1.1172      0.00000
    112      -0.5682      0.00000
    113      -0.4375      0.00000
    114      -0.4335      0.00000
    115      -0.3130      0.00000
    116      -0.1937      0.00000
    117       0.0590      0.00000
    118       0.1127      0.00000
    119       0.5373      0.00000
    120       0.6812      0.00000
    121       0.8760      0.00000
    122       0.9733      0.00000
    123       1.1154      0.00000
    124       1.5001      0.00000
    125       1.6728      0.00000
    126       1.8291      0.00000
    127       1.8899      0.00000
    128       2.1106      0.00000
    129       2.1191      0.00000
    130       2.1871      0.00000
    131       2.2151      0.00000
    132       2.3377      0.00000
    133       2.3470      0.00000
    134       2.4857      0.00000
    135       2.5692      0.00000
    136       2.6818      0.00000
    137       2.8855      0.00000
    138       2.9354      0.00000
    139       2.9745      0.00000
    140       3.0233      0.00000
    141       3.0647      0.00000
    142       3.1620      0.00000
    143       3.1670      0.00000
    144       3.2669      0.00000
    145       3.3011      0.00000
    146       3.3391      0.00000
    147       3.3505      0.00000
    148       3.3847      0.00000
    149       3.4225      0.00000
    150       3.5070      0.00000
    151       3.5623      0.00000
    152       3.6382      0.00000
    153       3.6819      0.00000
    154       3.7146      0.00000
    155       3.7250      0.00000
    156       3.9284      0.00000
    157       3.9549      0.00000
    158       4.0713      0.00000
    159       4.1096      0.00000
    160       4.2234      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     -21.8222      1.00000
      4     -21.3165      1.00000
      5     -21.2781      1.00000
      6     -20.7717      1.00000
      7     -20.7034      1.00000
      8     -20.5551      1.00000
      9     -20.0232      1.00000
     10     -19.9913      1.00000
     11     -19.6509      1.00000
     12     -19.6201      1.00000
     13     -18.9439      1.00000
     14     -18.9096      1.00000
     15     -18.5847      1.00000
     16     -18.5476      1.00000
     17     -18.3930      1.00000
     18     -17.6025      1.00000
     19     -17.5716      1.00000
     20     -17.5425      1.00000
     21     -17.5097      1.00000
     22     -17.0753      1.00000
     23     -17.0288      1.00000
     24     -16.9014      1.00000
     25     -15.9467      1.00000
     26     -15.8519      1.00000
     27     -15.5340      1.00000
     28     -15.5077      1.00000
     29     -15.2105      1.00000
     30     -14.8146      1.00000
     31     -14.7627      1.00000
     32     -14.5108      1.00000
     33     -14.4692      1.00000
     34     -14.0974      1.00000
     35     -14.0943      1.00000
     36     -13.1057      1.00000
     37     -13.0306      1.00000
     38     -12.9581      1.00000
     39     -12.9511      1.00000
     40     -12.6569      1.00000
     41     -12.6289      1.00000
     42     -12.2750      1.00000
     43     -12.2481      1.00000
     44     -11.5743      1.00000
     45     -11.5551      1.00000
     46     -11.5017      1.00000
     47     -10.8787      1.00000
     48     -10.8696      1.00000
     49     -10.6794      1.00000
     50     -10.5269      1.00000
     51     -10.5205      1.00000
     52     -10.4348      1.00000
     53     -10.4171      1.00000
     54     -10.3716      1.00000
     55     -10.2893      1.00000
     56     -10.0597      1.00000
     57      -9.8327      1.00000
     58      -9.5594      1.00000
     59      -9.4861      1.00000
     60      -9.4434      1.00000
     61      -9.3571      1.00000
     62      -9.3407      1.00000
     63      -9.3093      1.00000
     64      -9.3037      1.00000
     65      -9.2066      1.00000
     66      -9.1010      1.00000
     67      -9.0703      1.00000
     68      -9.0506      1.00000
     69      -8.8483      1.00000
     70      -8.7983      1.00000
     71      -8.7786      1.00000
     72      -8.5274      1.00000
     73      -8.4949      1.00000
     74      -8.2231      1.00000
     75      -8.1309      1.00000
     76      -8.0944      1.00000
     77      -7.8078      1.00000
     78      -7.7693      1.00000
     79      -7.7406      1.00000
     80      -7.7020      1.00000
     81      -7.6376      1.00000
     82      -7.6262      1.00000
     83      -7.3897      1.00000
     84      -7.3456      1.00000
     85      -7.2253      1.00000
     86      -6.8454      1.00000
     87      -6.8230      1.00000
     88      -6.6384      1.00000
     89      -6.5305      1.00000
     90      -6.3437      1.00000
     91      -6.2736      1.00000
     92      -6.1962      1.00000
     93      -6.1340      1.00000
     94      -6.0208      1.00000
     95      -5.6348      1.00000
     96      -5.5091      1.00000
     97      -5.2990      1.00000
     98      -5.1576      1.00000
     99      -5.0403      1.00000
    100      -4.7258      1.00000
    101      -4.6868      1.00000
    102      -4.3699      1.00000
    103      -4.1846      1.00000
    104      -4.0085      1.00000
    105      -3.8208      1.00000
    106      -3.4866      1.00000
    107      -2.1671      0.00000
    108      -1.3856      0.00000
    109      -1.2382      0.00000
    110      -1.1877      0.00000
    111      -1.0169      0.00000
    112      -0.9584      0.00000
    113      -0.8000      0.00000
    114      -0.7549      0.00000
    115      -0.3723      0.00000
    116       0.2422      0.00000
    117       0.2737      0.00000
    118       0.3608      0.00000
    119       0.7053      0.00000
    120       0.8665      0.00000
    121       0.9631      0.00000
    122       1.1293      0.00000
    123       1.2415      0.00000
    124       1.4574      0.00000
    125       1.5771      0.00000
    126       1.7844      0.00000
    127       1.8490      0.00000
    128       1.8779      0.00000
    129       1.9994      0.00000
    130       2.0382      0.00000
    131       2.1887      0.00000
    132       2.2276      0.00000
    133       2.4170      0.00000
    134       2.4333      0.00000
    135       2.5322      0.00000
    136       2.6569      0.00000
    137       2.6823      0.00000
    138       2.7379      0.00000
    139       2.7880      0.00000
    140       2.8741      0.00000
    141       2.9827      0.00000
    142       3.0995      0.00000
    143       3.1796      0.00000
    144       3.2358      0.00000
    145       3.2651      0.00000
    146       3.3052      0.00000
    147       3.3579      0.00000
    148       3.4963      0.00000
    149       3.5285      0.00000
    150       3.7193      0.00000
    151       3.7338      0.00000
    152       3.7683      0.00000
    153       3.8694      0.00000
    154       3.8795      0.00000
    155       3.9134      0.00000
    156       3.9932      0.00000
    157       4.0089      0.00000
    158       4.0571      0.00000
    159       4.0649      0.00000
    160       4.0957      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3199      1.00000
      2     -21.7617      1.00000
      3     -21.5683      1.00000
      4     -21.5413      1.00000
      5     -21.2053      1.00000
      6     -21.1668      1.00000
      7     -20.9865      1.00000
      8     -20.0991      1.00000
      9     -20.0606      1.00000
     10     -19.5469      1.00000
     11     -19.5270      1.00000
     12     -19.3456      1.00000
     13     -19.0285      1.00000
     14     -18.9890      1.00000
     15     -18.9786      1.00000
     16     -18.9729      1.00000
     17     -18.2968      1.00000
     18     -18.2835      1.00000
     19     -17.9473      1.00000
     20     -17.0012      1.00000
     21     -16.9608      1.00000
     22     -16.8840      1.00000
     23     -16.8711      1.00000
     24     -16.4172      1.00000
     25     -16.3947      1.00000
     26     -15.5417      1.00000
     27     -15.5384      1.00000
     28     -15.1740      1.00000
     29     -15.1725      1.00000
     30     -15.1318      1.00000
     31     -15.0375      1.00000
     32     -15.0024      1.00000
     33     -14.6346      1.00000
     34     -14.6276      1.00000
     35     -13.6640      1.00000
     36     -13.6543      1.00000
     37     -13.1724      1.00000
     38     -12.5739      1.00000
     39     -12.5151      1.00000
     40     -12.3867      1.00000
     41     -12.3863      1.00000
     42     -12.0369      1.00000
     43     -12.0329      1.00000
     44     -11.6559      1.00000
     45     -11.6160      1.00000
     46     -11.2070      1.00000
     47     -11.1590      1.00000
     48     -10.9562      1.00000
     49     -10.9437      1.00000
     50     -10.8615      1.00000
     51     -10.8296      1.00000
     52     -10.6214      1.00000
     53     -10.1466      1.00000
     54     -10.0858      1.00000
     55     -10.0265      1.00000
     56      -9.9449      1.00000
     57      -9.6322      1.00000
     58      -9.6308      1.00000
     59      -9.6037      1.00000
     60      -9.5419      1.00000
     61      -9.5051      1.00000
     62      -9.4803      1.00000
     63      -9.2724      1.00000
     64      -9.2371      1.00000
     65      -9.2078      1.00000
     66      -9.1812      1.00000
     67      -9.0632      1.00000
     68      -9.0487      1.00000
     69      -9.0450      1.00000
     70      -8.8775      1.00000
     71      -8.8103      1.00000
     72      -8.5349      1.00000
     73      -8.5334      1.00000
     74      -8.4945      1.00000
     75      -8.0329      1.00000
     76      -7.8333      1.00000
     77      -7.7979      1.00000
     78      -7.7754      1.00000
     79      -7.7050      1.00000
     80      -7.6865      1.00000
     81      -7.4184      1.00000
     82      -7.2894      1.00000
     83      -7.2539      1.00000
     84      -7.2030      1.00000
     85      -7.0812      1.00000
     86      -7.0796      1.00000
     87      -6.9404      1.00000
     88      -6.7107      1.00000
     89      -6.6749      1.00000
     90      -6.6304      1.00000
     91      -6.5588      1.00000
     92      -6.0732      1.00000
     93      -6.0327      1.00000
     94      -6.0025      1.00000
     95      -5.9394      1.00000
     96      -5.7998      1.00000
     97      -5.1786      1.00000
     98      -4.8938      1.00000
     99      -4.7936      1.00000
    100      -4.6124      1.00000
    101      -4.5140      1.00000
    102      -4.1403      1.00000
    103      -4.0925      1.00000
    104      -3.9332      1.00000
    105      -3.9176      1.00000
    106      -3.8202      1.00000
    107      -1.7542      0.00000
    108      -1.6989      0.00000
    109      -1.4125      0.00000
    110      -1.3737      0.00000
    111      -1.2671      0.00000
    112      -1.2384      0.00000
    113      -0.6294      0.00000
    114      -0.6011      0.00000
    115      -0.1925      0.00000
    116       0.0371      0.00000
    117       0.5880      0.00000
    118       0.7400      0.00000
    119       0.8463      0.00000
    120       0.9264      0.00000
    121       1.1645      0.00000
    122       1.2126      0.00000
    123       1.2466      0.00000
    124       1.4336      0.00000
    125       1.6011      0.00000
    126       1.6485      0.00000
    127       1.7120      0.00000
    128       1.7978      0.00000
    129       1.9176      0.00000
    130       1.9367      0.00000
    131       2.1489      0.00000
    132       2.1820      0.00000
    133       2.2640      0.00000
    134       2.3182      0.00000
    135       2.5590      0.00000
    136       2.5822      0.00000
    137       2.6239      0.00000
    138       2.7675      0.00000
    139       2.8185      0.00000
    140       2.8297      0.00000
    141       2.8911      0.00000
    142       2.9366      0.00000
    143       3.0281      0.00000
    144       3.0470      0.00000
    145       3.1125      0.00000
    146       3.3217      0.00000
    147       3.3507      0.00000
    148       3.4040      0.00000
    149       3.4953      0.00000
    150       3.6097      0.00000
    151       3.6687      0.00000
    152       3.6738      0.00000
    153       3.6872      0.00000
    154       3.9150      0.00000
    155       3.9871      0.00000
    156       4.0324      0.00000
    157       4.0870      0.00000
    158       4.2651      0.00000
    159       4.2677      0.00000
    160       4.2743      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.1408      1.00000
      2     -22.0488      1.00000
      3     -21.8867      1.00000
      4     -21.3360      1.00000
      5     -20.9771      1.00000
      6     -20.9480      1.00000
      7     -20.4284      1.00000
      8     -20.3968      1.00000
      9     -20.2167      1.00000
     10     -20.2150      1.00000
     11     -19.8885      1.00000
     12     -19.8249      1.00000
     13     -18.8184      1.00000
     14     -18.7479      1.00000
     15     -18.2665      1.00000
     16     -18.2527      1.00000
     17     -18.0813      1.00000
     18     -18.0748      1.00000
     19     -17.7468      1.00000
     20     -17.7313      1.00000
     21     -17.1961      1.00000
     22     -17.1730      1.00000
     23     -17.0901      1.00000
     24     -17.0692      1.00000
     25     -16.0547      1.00000
     26     -15.8094      1.00000
     27     -15.7999      1.00000
     28     -15.7792      1.00000
     29     -15.1607      1.00000
     30     -14.4867      1.00000
     31     -14.4655      1.00000
     32     -14.2058      1.00000
     33     -13.9177      1.00000
     34     -13.8879      1.00000
     35     -13.7609      1.00000
     36     -13.7402      1.00000
     37     -13.5375      1.00000
     38     -13.5119      1.00000
     39     -13.3022      1.00000
     40     -12.5775      1.00000
     41     -12.1026      1.00000
     42     -12.0787      1.00000
     43     -11.9997      1.00000
     44     -11.9520      1.00000
     45     -11.6070      1.00000
     46     -11.5996      1.00000
     47     -11.0855      1.00000
     48     -11.0630      1.00000
     49     -10.7330      1.00000
     50     -10.6659      1.00000
     51     -10.5538      1.00000
     52     -10.1412      1.00000
     53     -10.1366      1.00000
     54     -10.1014      1.00000
     55      -9.9674      1.00000
     56      -9.9269      1.00000
     57      -9.9224      1.00000
     58      -9.7519      1.00000
     59      -9.7309      1.00000
     60      -9.6993      1.00000
     61      -9.6968      1.00000
     62      -9.3992      1.00000
     63      -9.3907      1.00000
     64      -9.0677      1.00000
     65      -8.9832      1.00000
     66      -8.9829      1.00000
     67      -8.9074      1.00000
     68      -8.8128      1.00000
     69      -8.6507      1.00000
     70      -8.6357      1.00000
     71      -8.5445      1.00000
     72      -8.5034      1.00000
     73      -8.4843      1.00000
     74      -8.3964      1.00000
     75      -8.3842      1.00000
     76      -8.2097      1.00000
     77      -8.1005      1.00000
     78      -8.0077      1.00000
     79      -7.9015      1.00000
     80      -7.8437      1.00000
     81      -7.6212      1.00000
     82      -7.5346      1.00000
     83      -7.4585      1.00000
     84      -7.2614      1.00000
     85      -6.9446      1.00000
     86      -6.8712      1.00000
     87      -6.8126      1.00000
     88      -6.4792      1.00000
     89      -6.4706      1.00000
     90      -6.4117      1.00000
     91      -6.3608      1.00000
     92      -6.1851      1.00000
     93      -5.8592      1.00000
     94      -5.7391      1.00000
     95      -5.7126      1.00000
     96      -5.5220      1.00000
     97      -5.3301      1.00000
     98      -5.1737      1.00000
     99      -5.1692      1.00000
    100      -5.1355      1.00000
    101      -4.6971      1.00000
    102      -4.3509      1.00000
    103      -4.2782      1.00000
    104      -4.0280      1.00000
    105      -3.8222      1.00000
    106      -3.2354      1.00000
    107      -2.4081      0.00000
    108      -1.3476      0.00000
    109      -1.2462      0.00000
    110      -1.1562      0.00000
    111      -1.1110      0.00000
    112      -0.5874      0.00000
    113      -0.5246      0.00000
    114      -0.4365      0.00000
    115      -0.2774      0.00000
    116      -0.0756      0.00000
    117      -0.0149      0.00000
    118       0.0571      0.00000
    119       0.5813      0.00000
    120       0.7074      0.00000
    121       0.8145      0.00000
    122       0.9478      0.00000
    123       1.1883      0.00000
    124       1.5231      0.00000
    125       1.6267      0.00000
    126       1.8790      0.00000
    127       2.0181      0.00000
    128       2.0591      0.00000
    129       2.1259      0.00000
    130       2.1330      0.00000
    131       2.2470      0.00000
    132       2.2839      0.00000
    133       2.3426      0.00000
    134       2.4449      0.00000
    135       2.6111      0.00000
    136       2.7098      0.00000
    137       2.8399      0.00000
    138       2.9118      0.00000
    139       2.9424      0.00000
    140       3.0427      0.00000
    141       3.0708      0.00000
    142       3.1526      0.00000
    143       3.1687      0.00000
    144       3.2425      0.00000
    145       3.3045      0.00000
    146       3.3219      0.00000
    147       3.3572      0.00000
    148       3.3772      0.00000
    149       3.4299      0.00000
    150       3.4567      0.00000
    151       3.5701      0.00000
    152       3.6186      0.00000
    153       3.6865      0.00000
    154       3.7203      0.00000
    155       3.8622      0.00000
    156       3.9194      0.00000
    157       3.9403      0.00000
    158       3.9718      0.00000
    159       4.1707      0.00000
    160       4.2004      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2138      1.00000
      2     -22.0089      1.00000
      3     -21.6469      1.00000
      4     -21.6158      1.00000
      5     -20.9103      1.00000
      6     -20.8700      1.00000
      7     -20.5398      1.00000
      8     -20.5075      1.00000
      9     -20.5008      1.00000
     10     -19.9633      1.00000
     11     -19.4417      1.00000
     12     -19.4200      1.00000
     13     -19.2410      1.00000
     14     -19.2339      1.00000
     15     -18.3770      1.00000
     16     -18.3423      1.00000
     17     -17.8600      1.00000
     18     -17.8440      1.00000
     19     -17.6923      1.00000
     20     -17.6567      1.00000
     21     -17.3736      1.00000
     22     -17.3594      1.00000
     23     -17.2687      1.00000
     24     -16.4147      1.00000
     25     -16.3914      1.00000
     26     -15.9058      1.00000
     27     -15.3447      1.00000
     28     -15.3398      1.00000
     29     -15.0323      1.00000
     30     -15.0227      1.00000
     31     -14.7779      1.00000
     32     -14.7758      1.00000
     33     -14.2388      1.00000
     34     -14.1887      1.00000
     35     -13.3888      1.00000
     36     -13.3352      1.00000
     37     -13.1126      1.00000
     38     -13.1046      1.00000
     39     -12.9189      1.00000
     40     -12.9133      1.00000
     41     -12.5470      1.00000
     42     -12.5394      1.00000
     43     -12.1351      1.00000
     44     -11.5148      1.00000
     45     -11.4709      1.00000
     46     -11.2459      1.00000
     47     -11.2147      1.00000
     48     -11.0878      1.00000
     49     -10.7032      1.00000
     50     -10.5975      1.00000
     51     -10.5081      1.00000
     52     -10.2531      1.00000
     53     -10.2489      1.00000
     54     -10.1216      1.00000
     55     -10.0560      1.00000
     56     -10.0407      1.00000
     57      -9.7846      1.00000
     58      -9.6886      1.00000
     59      -9.6748      1.00000
     60      -9.6395      1.00000
     61      -9.6299      1.00000
     62      -9.5867      1.00000
     63      -9.2971      1.00000
     64      -9.2854      1.00000
     65      -9.2548      1.00000
     66      -9.0608      1.00000
     67      -8.8966      1.00000
     68      -8.8854      1.00000
     69      -8.7195      1.00000
     70      -8.5784      1.00000
     71      -8.5280      1.00000
     72      -8.3510      1.00000
     73      -8.3059      1.00000
     74      -8.2450      1.00000
     75      -8.2395      1.00000
     76      -8.1967      1.00000
     77      -8.1837      1.00000
     78      -8.1716      1.00000
     79      -8.1026      1.00000
     80      -7.6895      1.00000
     81      -7.4233      1.00000
     82      -7.3450      1.00000
     83      -7.2617      1.00000
     84      -7.1709      1.00000
     85      -7.1107      1.00000
     86      -7.0070      1.00000
     87      -6.9049      1.00000
     88      -6.8503      1.00000
     89      -6.5442      1.00000
     90      -6.5009      1.00000
     91      -6.2079      1.00000
     92      -6.2039      1.00000
     93      -5.8957      1.00000
     94      -5.6737      1.00000
     95      -5.6072      1.00000
     96      -5.5814      1.00000
     97      -5.2549      1.00000
     98      -5.2322      1.00000
     99      -5.1665      1.00000
    100      -5.1362      1.00000
    101      -4.6005      1.00000
    102      -4.2487      1.00000
    103      -4.0443      1.00000
    104      -3.8864      1.00000
    105      -3.8378      1.00000
    106      -3.8002      1.00000
    107      -1.8105      0.00000
    108      -1.7837      0.00000
    109      -1.2278      0.00000
    110      -1.1779      0.00000
    111      -0.9766      0.00000
    112      -0.7374      0.00000
    113      -0.6528      0.00000
    114      -0.5965      0.00000
    115      -0.5523      0.00000
    116      -0.1600      0.00000
    117       0.1733      0.00000
    118       0.2851      0.00000
    119       0.7108      0.00000
    120       0.9532      0.00000
    121       1.1679      0.00000
    122       1.2749      0.00000
    123       1.3512      0.00000
    124       1.5196      0.00000
    125       1.6125      0.00000
    126       1.6330      0.00000
    127       1.6915      0.00000
    128       1.7818      0.00000
    129       1.8744      0.00000
    130       2.0611      0.00000
    131       2.1719      0.00000
    132       2.3019      0.00000
    133       2.4140      0.00000
    134       2.4223      0.00000
    135       2.5699      0.00000
    136       2.6342      0.00000
    137       2.6952      0.00000
    138       2.7285      0.00000
    139       2.8051      0.00000
    140       2.9223      0.00000
    141       3.0685      0.00000
    142       3.0723      0.00000
    143       3.2031      0.00000
    144       3.2903      0.00000
    145       3.3983      0.00000
    146       3.4227      0.00000
    147       3.4672      0.00000
    148       3.5590      0.00000
    149       3.5988      0.00000
    150       3.6395      0.00000
    151       3.6739      0.00000
    152       3.6988      0.00000
    153       3.7855      0.00000
    154       3.7862      0.00000
    155       3.8369      0.00000
    156       3.9119      0.00000
    157       3.9163      0.00000
    158       3.9853      0.00000
    159       4.2046      0.00000
    160       4.2420      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0407   -7.2583    3.9818   -1.1305   -0.1845   17.3741    0.4911   -0.8154    0.7702   -0.4754
x    -3.1264   -0.0250   -0.0202   -0.0269    0.0914   -3.0545    0.0306   -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   204.0407    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    0.0028   -0.0985   -0.0316    0.0612    0.0191
y     0.0232   -3.2423   -0.1784    0.1688   -2.4182   -0.6651
z   204.0407    1.7474    0.2910    0.0885    0.0008    0.0706   -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    0.0985    0.0006   -0.0010   -0.0001   -0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0012   -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  -16.5829
z     0.1468    0.2348   -0.0298    0.0567   -0.0953    0.0006
 total charge-density along one line
x   212.0000  -10.0899    5.9290   -1.9395   -0.4201   19.2933   -0.6587    0.2073    0.0647   -0.1041
x    -2.7068   -0.0086    0.0024   -0.0463    0.0977   -2.3459    0.0480   -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  -10.0899    5.9289   -1.9395   -0.4201   19.2933   -0.6587    0.2073    0.0647   -0.1041
y    -2.7068   -0.0086    0.0024   -0.0463    0.0977   -2.3459    0.0480   -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 -205.3180  188.8935 -170.1569  154.0074 -140.2645  126.3303 -110.8459   94.5775  -78.9162
z    64.5636  -51.6488   40.4253  -31.3665   24.6294  -19.7042   15.7302  -12.1204    8.8441   -6.1709
z     4.2437   -2.9182    1.9328   -1.1367    0.5329   -0.1504   -0.0634    0.2163   -0.3715    0.5043
z    -0.5569    0.5165   -0.4325    0.3653   -0.3342    0.3163   -0.2845    0.2366   -0.1897    0.1566
z    -0.1346    0.1143   -0.0918    0.0712   -0.0575    0.0499   -0.0440    0.0369   -0.0294    0.0239
z    -0.0208    0.0186   -0.0159    0.0129   -0.0103    0.0084   -0.0068    0.0052   -0.0038    0.0028
z    -0.0020    0.0012   -0.0004   -0.0002    0.0004   -0.0004    0.0004   -0.0006    0.0007   -0.0006
z     0.0004   -0.0002    0.0001    0.0000    0.0000    0.0001   -0.0002    0.0003   -0.0003    0.0003
z    -0.0002    0.0002   -0.0002    0.0001   -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0000   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001   -0.0001    0.0001    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.938   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   0.198   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 -10.936   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   0.001
  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   0.262   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  -0.035   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   0.064   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   0.262   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  -0.035   0.101   0.000   0.554   0.000  -0.058   0.696  -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  -0.018  -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   0.696   0.000  -0.111   1.352  -0.431   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  -0.431   0.190   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   0.268  -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  -0.007   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   8.026   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   2.646
  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   2.646
 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   2.647
 15        0.864   1.784   0.000   2.647
 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   2.647
 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   2.628
 42        0.863   1.777   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   1.783   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   2.646
 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  89.422   8.026 142.278
 


 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  115.31: CPU time   58.31
    FORLOC:  VPU time    1.26: CPU time    1.26
    FORNL :  VPU time  445.11: CPU time  223.21
    STRESS:  VPU time 1328.30: CPU time  667.29
    FORCOR:  VPU time    8.65: CPU time    8.65
    FORHAR:  VPU time    2.28: CPU time    2.29
    MIXING:  VPU time    0.17: CPU time    0.16
 d Force = 0.1591510E-04[ 0.750E-05, 0.243E-04]  d Energy = 0.3061663E-04-0.147E-04
 d Force = 0.1267088E+00[ 0.127E+00, 0.127E+00]  d Ewald  =-0.2239284E+01 0.237E+01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.645204 eV

  energy  without entropy=     -471.645204  energy(sigma->0) =     -471.645204
 

  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    40706.00  40722.30 -47405.47     14.11      0.00      0.00
  Hartree  40172.49  40175.75 -39425.32      2.82      0.00      0.00
  E(xc)     -779.70   -779.50   -807.22      0.17      0.00      0.00
  Local   -83171.77 -83185.10  84148.23    -11.55      0.00      0.00
  n-local   -215.77   -215.69   -203.86     -0.18      0.00      0.00
  augment     22.10     20.52     17.38     -1.37      0.00      0.00
  Kinetic   3168.46   3171.09   3582.10     -6.18      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.48     -0.48     -0.23      0.01      0.00      0.00
  in kB       -0.29     -0.29     -0.14      0.00      0.00      0.00
  external pressure =       -0.24 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
    12.348303395  0.001598650  0.000000000     0.080976734  0.046738031  0.000000000
    -6.172773869 10.694739583  0.000000000    -0.000012104  0.093496927  0.000000000
     0.000000000  0.000000000 19.974458346     0.000000000  0.000000000  0.050063936

  length of vectors
    12.348303499 12.348303203 19.974458346     0.093496925  0.093496927  0.050063936


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.350E-05 -.460E-04 -.959E+03   0.427E-05 -.273E-04 0.967E+03   0.847E-21 0.501E-24 -.793E+01   -.595E-07 0.328E-07 0.174E-01
   -.176E+02 -.305E+02 -.136E+03   0.184E+02 0.319E+02 0.138E+03   -.832E+00 -.144E+01 -.258E+01   -.435E-03 -.754E-03 -.173E-03
   0.176E+02 0.305E+02 -.136E+03   -.184E+02 -.319E+02 0.138E+03   0.832E+00 0.144E+01 -.258E+01   0.435E-03 0.754E-03 -.173E-03
   -.196E+01 0.113E+01 0.182E+02   0.197E+01 -.113E+01 -.182E+02   -.883E-02 0.510E-02 0.166E-03   -.264E-03 0.150E-03 0.186E-02
   0.578E+01 0.685E+01 0.207E+02   -.578E+01 -.688E+01 -.206E+02   0.616E-02 0.331E-01 -.163E-01   0.577E-03 -.345E-03 0.141E-02
   0.112E+02 0.503E+01 0.185E+02   -.113E+02 -.504E+01 -.185E+02   0.240E-01 0.946E-02 -.533E-01   -.474E-03 0.115E-02 0.507E-03
   0.451E+01 -.101E+01 0.164E+02   -.453E+01 0.103E+01 -.164E+02   0.199E-01 -.161E-01 -.201E-03   -.961E-03 -.230E-04 0.375E-03
   -.292E+01 -.238E+01 0.153E+02   0.293E+01 0.239E+01 -.153E+02   -.145E-01 -.147E-01 0.138E-02   -.620E-03 -.603E-04 0.871E-03
   0.602E+00 0.372E+01 0.153E+02   -.607E+00 -.374E+01 -.153E+02   0.548E-02 0.199E-01 0.138E-02   -.263E-03 0.561E-03 0.868E-03
   0.273E+01 0.181E+02 0.248E+02   -.274E+01 -.182E+02 -.248E+02   0.990E-02 0.109E+00 -.945E-02   -.297E-03 0.153E-02 0.101E-02
   0.214E+02 0.225E+02 0.393E+02   -.215E+02 -.227E+02 -.393E+02   0.117E+00 0.227E+00 -.184E-01   -.157E-02 -.663E-03 0.658E-03
   0.264E+02 -.447E+01 0.265E+02   -.267E+02 0.459E+01 -.264E+02   0.234E+00 -.118E+00 -.586E-01   -.138E-03 -.560E-03 0.665E-03
   0.913E+01 -.527E+01 0.155E+02   -.915E+01 0.528E+01 -.155E+02   0.178E-01 -.103E-01 0.599E-02   0.108E-02 -.629E-03 0.549E-03
   0.313E+01 -.340E+01 0.164E+02   -.316E+01 0.341E+01 -.164E+02   0.239E-01 -.916E-02 -.201E-03   -.463E-03 0.839E-03 0.367E-03
   -.604E+01 0.131E+02 0.198E+02   0.604E+01 -.132E+02 -.198E+02   -.542E-02 0.748E-01 -.124E-01   -.112E-02 -.138E-03 0.593E-03
   -.122E+02 0.333E+02 0.453E+02   0.123E+02 -.340E+02 -.457E+02   -.911E-01 0.675E+00 0.348E+00   0.389E-03 -.807E-04 -.108E-02
   0.263E+02 -.152E+02 0.683E+02   -.272E+02 0.157E+02 -.704E+02   0.962E+00 -.555E+00 0.208E+01   -.607E-03 0.348E-03 -.390E-02
   0.171E+02 -.207E+02 0.265E+02   -.173E+02 0.208E+02 -.264E+02   0.219E+00 -.144E+00 -.586E-01   0.414E-03 0.392E-03 0.660E-03
   0.126E+01 -.122E+02 0.185E+02   -.126E+01 0.123E+02 -.185E+02   0.381E-02 -.255E-01 -.533E-01   -.123E-02 -.164E-03 0.502E-03
   -.386E+01 0.156E+01 0.145E+02   0.387E+01 -.156E+01 -.144E+02   -.574E-02 0.224E-02 -.427E-01   -.807E-03 -.373E-03 0.465E-03
   -.182E+02 0.105E+02 0.206E+02   0.182E+02 -.105E+02 -.205E+02   -.639E-01 0.369E-01 -.127E+00   0.883E-03 -.506E-03 0.965E-03
   -.350E+02 -.609E+01 0.453E+02   0.356E+02 0.634E+01 -.457E+02   -.630E+00 -.258E+00 0.348E+00   0.267E-03 -.297E-03 -.108E-02
   -.881E+01 -.298E+02 0.393E+02   0.895E+01 0.300E+02 -.393E+02   -.138E+00 -.214E+00 -.184E-01   -.205E-03 0.168E-02 0.656E-03
   -.304E+01 -.843E+01 0.207E+02   0.307E+01 0.845E+01 -.206E+02   -.256E-01 -.219E-01 -.163E-01   0.589E-03 -.329E-03 0.141E-02
   0.127E+01 -.734E+00 0.153E+02   -.127E+01 0.734E+00 -.152E+02   -.198E-02 0.114E-02 -.331E-01   -.447E-04 0.278E-04 0.175E-02
   -.328E+01 0.256E+01 0.145E+02   0.329E+01 -.257E+01 -.144E+02   -.481E-02 0.385E-02 -.427E-01   -.786E-04 0.889E-03 0.470E-03
   -.144E+02 -.134E+01 0.198E+02   0.145E+02 0.137E+01 -.198E+02   -.675E-01 -.327E-01 -.124E-01   -.441E-03 0.104E-02 0.601E-03
   -.143E+02 -.114E+02 0.248E+02   0.144E+02 0.115E+02 -.248E+02   -.896E-01 -.632E-01 -.945E-02   -.147E-02 -.513E-03 0.101E-02
   0.304E+01 0.843E+01 0.207E+02   -.307E+01 -.845E+01 -.206E+02   0.256E-01 0.219E-01 -.163E-01   -.589E-03 0.329E-03 0.141E-02
   0.143E+02 0.114E+02 0.248E+02   -.144E+02 -.115E+02 -.248E+02   0.896E-01 0.632E-01 -.945E-02   0.147E-02 0.513E-03 0.101E-02
   0.144E+02 0.134E+01 0.198E+02   -.145E+02 -.137E+01 -.198E+02   0.675E-01 0.327E-01 -.124E-01   0.441E-03 -.104E-02 0.601E-03
   0.328E+01 -.256E+01 0.145E+02   -.329E+01 0.257E+01 -.144E+02   0.481E-02 -.385E-02 -.427E-01   0.786E-04 -.889E-03 0.470E-03
   -.127E+01 0.734E+00 0.153E+02   0.127E+01 -.734E+00 -.152E+02   0.198E-02 -.114E-02 -.331E-01   0.447E-04 -.278E-04 0.175E-02
   -.126E+01 0.122E+02 0.185E+02   0.126E+01 -.123E+02 -.185E+02   -.381E-02 0.255E-01 -.533E-01   0.123E-02 0.164E-03 0.502E-03
   0.881E+01 0.298E+02 0.393E+02   -.895E+01 -.300E+02 -.393E+02   0.138E+00 0.214E+00 -.184E-01   0.205E-03 -.168E-02 0.656E-03
   0.350E+02 0.609E+01 0.453E+02   -.356E+02 -.634E+01 -.457E+02   0.630E+00 0.258E+00 0.348E+00   -.267E-03 0.297E-03 -.108E-02
   0.182E+02 -.105E+02 0.206E+02   -.182E+02 0.105E+02 -.205E+02   0.639E-01 -.369E-01 -.127E+00   -.883E-03 0.506E-03 0.965E-03
   0.386E+01 -.156E+01 0.145E+02   -.387E+01 0.156E+01 -.144E+02   0.574E-02 -.224E-02 -.427E-01   0.807E-03 0.373E-03 0.465E-03
   -.313E+01 0.340E+01 0.164E+02   0.316E+01 -.341E+01 -.164E+02   -.239E-01 0.916E-02 -.201E-03   0.463E-03 -.839E-03 0.367E-03
   -.171E+02 0.207E+02 0.265E+02   0.173E+02 -.208E+02 -.264E+02   -.219E+00 0.144E+00 -.586E-01   -.414E-03 -.392E-03 0.660E-03
   -.263E+02 0.152E+02 0.683E+02   0.272E+02 -.157E+02 -.704E+02   -.962E+00 0.555E+00 0.208E+01   0.607E-03 -.348E-03 -.390E-02
   0.122E+02 -.333E+02 0.453E+02   -.123E+02 0.340E+02 -.457E+02   0.911E-01 -.675E+00 0.348E+00   -.389E-03 0.807E-04 -.108E-02
   0.604E+01 -.131E+02 0.198E+02   -.604E+01 0.132E+02 -.198E+02   0.542E-02 -.748E-01 -.124E-01   0.112E-02 0.138E-03 0.594E-03
   -.602E+00 -.372E+01 0.153E+02   0.607E+00 0.374E+01 -.153E+02   -.548E-02 -.199E-01 0.138E-02   0.263E-03 -.561E-03 0.868E-03
   -.913E+01 0.527E+01 0.155E+02   0.915E+01 -.528E+01 -.155E+02   -.178E-01 0.103E-01 0.599E-02   -.108E-02 0.629E-03 0.549E-03
   -.264E+02 0.447E+01 0.265E+02   0.267E+02 -.459E+01 -.264E+02   -.234E+00 0.118E+00 -.586E-01   0.138E-03 0.560E-03 0.665E-03
   -.214E+02 -.225E+02 0.393E+02   0.215E+02 0.227E+02 -.393E+02   -.117E+00 -.227E+00 -.184E-01   0.157E-02 0.663E-03 0.658E-03
   -.273E+01 -.181E+02 0.248E+02   0.274E+01 0.182E+02 -.248E+02   -.990E-02 -.109E+00 -.945E-02   0.297E-03 -.153E-02 0.101E-02
   0.196E+01 -.113E+01 0.182E+02   -.197E+01 0.114E+01 -.182E+02   0.883E-02 -.510E-02 0.166E-03   0.264E-03 -.150E-03 0.186E-02
   0.292E+01 0.238E+01 0.153E+02   -.293E+01 -.239E+01 -.153E+02   0.145E-01 0.147E-01 0.138E-02   0.620E-03 0.603E-04 0.871E-03
   -.451E+01 0.101E+01 0.164E+02   0.453E+01 -.103E+01 -.164E+02   -.199E-01 0.161E-01 -.201E-03   0.961E-03 0.230E-04 0.375E-03
   -.112E+02 -.503E+01 0.185E+02   0.113E+02 0.504E+01 -.185E+02   -.240E-01 -.946E-02 -.533E-01   0.474E-03 -.115E-02 0.507E-03
   -.578E+01 -.685E+01 0.207E+02   0.578E+01 0.688E+01 -.206E+02   -.616E-02 -.331E-01 -.163E-01   -.577E-03 0.345E-03 0.141E-02
 -----------------------------------------------------------------------------------------------
   -.183E-02 0.313E-03 0.866E+01   0.383E-12 0.192E-12 -.256E-12   -.186E-15 -.298E-15 -.869E+01   -.819E-07 0.474E-07 0.414E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85303      6.06105     12.32565         0.000000      0.000000     -0.006980
      2.26253      6.77032     13.64214         0.001025      0.001775      0.002769
      1.44353      5.35177     13.64214        -0.001025     -0.001775      0.002769
      0.00054     -0.00031      9.93395         0.000218     -0.000126      0.000778
     11.11298      2.13941      9.93650        -0.000116      0.000234     -0.000179
      9.87745      4.27901      9.95165        -0.001640      0.001025      0.000027
      8.64395      6.41844      9.95157         0.000756      0.001618      0.001335
     -4.93664      8.55588      9.94544         0.000272     -0.000505     -0.001053
      2.47037     -0.00109      9.94544         0.000574      0.000017     -0.001053
      1.23478      2.13628      9.95106         0.000185     -0.000205     -0.001873
     -0.00390      4.27514      9.98235        -0.000766     -0.000623     -0.000867
     -1.23842      6.41626      9.98880        -0.001009      0.000742     -0.000754
     -2.46731      8.55539      9.95984         0.001378     -0.000796      0.000347
      4.93898      0.00124      9.95157        -0.001023     -0.001464      0.001335
      3.70507      2.13664      9.96022         0.000001      0.000613     -0.001415
      2.47083      4.26344     10.02713         0.000577     -0.000293      0.003915
      1.22854      6.42159     10.09989         0.000584     -0.000337      0.005318
     -0.00032      8.56071      9.98880        -0.001147      0.000503     -0.000754
      7.40853      0.00271      9.95165        -0.001708      0.000908      0.000027
      6.17383      2.14015      9.95215         0.000643     -0.001421     -0.000912
      4.94063      4.27842      9.98266         0.000575     -0.000332     -0.000069
      3.71870      6.42481     10.02713         0.000542     -0.000353      0.003915
      2.47120      8.56214      9.98235         0.000157      0.000974     -0.000867
      9.87925      0.00251      9.93650        -0.000261     -0.000016     -0.000179
      8.64331      2.14067      9.94055        -0.000920      0.000531     -0.002103
      7.40902      4.27957      9.95215         0.001552      0.000154     -0.000912
      6.17768      6.41933      9.96022        -0.000530     -0.000307     -0.001415
      4.94285      8.55885      9.95106         0.000270     -0.000058     -0.001873
     -0.00042      1.42484      9.93650         0.000261      0.000016     -0.000179
     -1.23680      3.56325      9.95106        -0.000270      0.000058     -0.001873
     -2.47162      5.70276      9.96022         0.000530      0.000307     -0.001415
     -3.70297      7.84252      9.95215        -0.001552     -0.000154     -0.000912
     -4.93726      9.98142      9.94055         0.000920     -0.000531     -0.002103
      2.47030      1.42464      9.95165         0.001708     -0.000908      0.000027
      1.23485      3.55995      9.98235        -0.000157     -0.000974     -0.000867
     -0.01265      5.69728     10.02713        -0.000542      0.000353      0.003915
     -1.23458      7.84368      9.98266        -0.000575      0.000332     -0.000069
     -2.46777      9.98194      9.95215        -0.000643      0.001421     -0.000912
      4.93985      1.42611      9.95157         0.001023      0.001464      0.001335
      3.70637      3.56138      9.98880         0.001147     -0.000503     -0.000754
      2.47751      5.70050     10.09989        -0.000584      0.000337      0.005318
      1.23522      7.85865     10.02713        -0.000577      0.000293      0.003915
      0.00098      9.98545      9.96022        -0.000001     -0.000613     -0.001415
      7.40845      1.42844      9.94544        -0.000574     -0.000017     -0.001053
      6.17337      3.56670      9.95984        -0.001378      0.000796      0.000347
      4.94448      5.70583      9.98880         0.001009     -0.000742     -0.000754
      3.70995      7.84695      9.98235         0.000766      0.000623     -0.000867
      2.47127      9.98581      9.95106        -0.000185      0.000205     -0.001873
      9.87829      1.42766      9.93395        -0.000218      0.000126      0.000778
      8.64269      3.56621      9.94544        -0.000272      0.000505     -0.001053
      7.41041      5.70525      9.95157        -0.000756     -0.001618      0.001335
      6.17691      7.84468      9.95165         0.001640     -0.001025      0.000027
      4.94137      9.98428      9.93650         0.000116     -0.000234     -0.000179
 -----------------------------------------------------------------------------------
    total drift:                               -0.001829      0.000313      0.007714


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


 Conjugate gradient step on ions:
 trial-energy change:   -0.000031  1 .order   -0.000023   -0.000033   -0.000014
  (g-gl).g = 0.555E-04      g.g   = 0.115E-03  gl.gl    = 0.111E-03
 g(Force)  = 0.603E-04   g(Stress)= 0.544E-04 ortho     =-0.220E-04
 gamma     =   0.49932
 trial     =   0.31393
 opt step  =   0.55711  (harmonic =   0.55711) maximal distance =0.00067017
 next E    =  -471.645202   (d E  =  -0.00003)


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


  
 reached required accuracy - stopping structural energy minimisation
 writing wavefunctions
     LOOP+:  VPU time 5169.35: CPU time 2692.91
 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.639   0.275   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   2.646
  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   2.646
 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   2.647
 15        0.864   1.784   0.000   2.647
 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   2.647
 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   2.628
 42        0.863   1.777   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   1.783   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   2.646
 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  89.422   8.026 142.278
 


 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: -3.147822;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
  
  
 General timing and accounting informations for this job:
 ========================================================
  
                  Total CPU time used (sec):   173474.750
                            User time (sec):   168991.730
                          System time (sec):     4483.020
                         Elapsed time (sec):    89364.722
  
                   Maximum memory used (kb):           0.
                   Average memory used (kb):           0.
  
                          Minor page faults:  -1718160593
                          Major page faults:            0
                 Voluntary context switches:       645892
